data_1
_audit_creation_date              2014-03-31
_audit_creation_method
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number            2012-9
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

ShelXL (Sheldrick, 2008)

ShelXS (Sheldrick, 2008)

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common             ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety          'C18 H21 Dy, C9 H13 P'
_chemical_formula_sum             'C27 H34 Dy P'
_chemical_formula_weight          552.01
_chemical_melting_point           ?
_chemical_oxdiff_formula          Dy1P1C21H50
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Dy' 'Dy' -0.1892 4.4098
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system       'monoclinic'
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 1 21/n 1'
_space_group_name_Hall            '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                    8.1970(5)
_cell_length_b                    24.7447(18)
_cell_length_c                    11.5021(10)
_cell_angle_alpha                 90
_cell_angle_beta                  94.741(7)
_cell_angle_gamma                 90
_cell_volume                      2325.0(3)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     5939
_cell_measurement_temperature     100
_cell_measurement_theta_max       28.5090
_cell_measurement_theta_min       3.2540
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     3.293
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.46465
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour             'clear light colourless'
_exptl_crystal_colour_lustre      clear
_exptl_crystal_colour_modifier    light
_exptl_crystal_colour_primary     colourless
_exptl_crystal_density_diffrn     1.577
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        block
_exptl_crystal_F_000              1108
_exptl_crystal_size_max           0.5
_exptl_crystal_size_mid           0.3
_exptl_crystal_size_min           0.2
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0419
_diffrn_reflns_av_unetI/netI      0.0565
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max        10
_diffrn_reflns_limit_h_min        -10
_diffrn_reflns_limit_k_max        19
_diffrn_reflns_limit_k_min        -30
_diffrn_reflns_limit_l_max        14
_diffrn_reflns_limit_l_min        -13
_diffrn_reflns_number             9055
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full         25.242
_diffrn_reflns_theta_max          26.372
_diffrn_reflns_theta_min          2.940
_diffrn_ambient_temperature       100
_diffrn_detector_area_resol_mean  8.3367
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type   'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method        'ω scans'
_diffrn_orient_matrix_UB_11       -0.0273370000
_diffrn_orient_matrix_UB_12       -0.0175670000
_diffrn_orient_matrix_UB_13       0.0214147000
_diffrn_orient_matrix_UB_21       -0.0374112000
_diffrn_orient_matrix_UB_22       0.0205777000
_diffrn_orient_matrix_UB_23       -0.0028087000
_diffrn_orient_matrix_UB_31       -0.0304844000
_diffrn_orient_matrix_UB_32       -0.0094540000
_diffrn_orient_matrix_UB_33       -0.0465729000
_diffrn_radiation_monochromator   'graphite'
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 3978
_reflns_number_total              4745
_reflns_odcompleteness_completeness 99.68
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      26.32
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2008)'
_computing_structure_solution     'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max          1.807
_refine_diff_density_min          -1.831
_refine_diff_density_rms          0.143
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.039
_refine_ls_hydrogen_treatment     mixed
_refine_ls_matrix_type            full
_refine_ls_number_parameters      316
_refine_ls_number_reflns          4745
_refine_ls_number_restraints      68
_refine_ls_R_factor_all           0.0487
_refine_ls_R_factor_gt            0.0382
_refine_ls_restrained_S_all       1.109
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0344P)²+5.2157P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0841
_refine_ls_wR_factor_ref          0.0932
_refine_special_details
;
 ?
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C6, C6A}
{C12, C12A}
{C9, C9A}
{C8, C8A}
{C15, C15A}
3. Restrained distances
 C8-C27
 1.54 with sigma of 0.02
 C6-C27 \\sim C9-C27
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
Uanis(C9) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C12) \\sim
Ueq, Uanis(C15) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C4) \\sim Ueq,
Uanis(C21) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C25)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.02
Uanis(C6) = Uanis(C6A)
Uanis(C12) = Uanis(C12A)
Uanis(C9) = Uanis(C9A)
Uanis(C8) = Uanis(C8A)
Uanis(C15) = Uanis(C15A)
5. Others
 Fixed Sof: C8(0.5) C27(0.5) H27A(0.5) H27B(0.5) H27C(0.5) C15A(0.5) H15A(0.5)
 C6(0.5) H6(0.5) C9(0.5) H9(0.5) C12(0.5) H12(0.5) C8A(0.5) H8A(0.5) C15(0.5)
 C26(0.5) H26A(0.5) H26B(0.5) H26C(0.5) C6A(0.5) H6A(0.5) C9A(0.5) H9A(0.5)
 C12A(0.5) H12A(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C15A(H15A), C6(H6), C9(H9), C12(H12), C8A(H8A), C6A(H6A), C9A(H9A),
 C12A(H12A), C16(H16), C1(H1), C4(H4), C11(H11), C19(H19), C20(H20), C22(H22),
 C24(H24)
6.b Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C26(H26A,H26B,H26C), C23(H23A,H23B,H23C), C28(H28A,H28B,
 H28C), C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens    mixed
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Dy1 Dy 0.81900(2) 0.14961(2) 0.59974(2) 0.02130(9) Uani 1 1 d . . . . .
 P1 P 0.88557(15) 0.05522(5) 0.76165(11) 0.0236(3) Uani 1 1 d . . . . .
 C8 C 0.5269(7) 0.1997(3) 0.5793(7) 0.0515(17) Uani 0.5 1 d D U P A 1
 C27 C 0.5243(14) 0.2622(4) 0.5619(10) 0.041(3) Uani 0.5 1 d D . P A 1
 H27A H 0.5876 0.2716 0.4982 0.061 Uiso 0.5 1 calc GR . P A 1
 H27B H 0.5704 0.2795 0.6319 0.061 Uiso 0.5 1 calc GR . P A 1
 H27C H 0.4135 0.2742 0.5450 0.061 Uiso 0.5 1 calc GR . P A 1
 C15A C 0.5100(6) 0.1070(3) 0.5801(6) 0.0408(14) Uani 0.5 1 d . . P A 1
 H15A H 0.5006 0.0713 0.5552 0.049 Uiso 0.5 1 calc R . P A 1
 C6 C 0.5418(7) 0.1820(3) 0.6978(6) 0.0474(16) Uani 0.5 1 d . U P A 1
 H6 H 0.5551 0.2038 0.7638 0.057 Uiso 0.5 1 calc R . P A 1
 C9 C 0.5050(7) 0.1547(3) 0.5098(7) 0.0493(17) Uani 0.5 1 d . U P A 1
 H9 H 0.4893 0.1552 0.4288 0.059 Uiso 0.5 1 calc R . P A 1
 C12 C 0.5323(6) 0.1262(3) 0.6954(6) 0.0432(15) Uani 0.5 1 d . U P A 1
 H12 H 0.5398 0.1043 0.7613 0.052 Uiso 0.5 1 calc R . P A 1
 C8A C 0.5269(7) 0.1997(3) 0.5793(7) 0.0515(17) Uani 0.5 1 d . . P A 2
 H8A H 0.5313 0.2353 0.5537 0.062 Uiso 0.5 1 calc R . P A 2
 C15 C 0.5100(6) 0.1070(3) 0.5801(6) 0.0408(14) Uani 0.5 1 d . U P A 2
 C26 C 0.4921(11) 0.0430(4) 0.5325(9) 0.027(2) Uani 0.5 1 d . . P A 2
 H26A H 0.5694 0.0206 0.5775 0.040 Uiso 0.5 1 calc GR . P A 2
 H26B H 0.5135 0.0415 0.4518 0.040 Uiso 0.5 1 calc GR . P A 2
 H26C H 0.3831 0.0302 0.5412 0.040 Uiso 0.5 1 calc GR . P A 2
 C6A C 0.5418(7) 0.1820(3) 0.6978(6) 0.0474(16) Uani 0.5 1 d . . P A 2
 H6A H 0.5551 0.2038 0.7638 0.057 Uiso 0.5 1 calc R . P A 2
 C9A C 0.5050(7) 0.1547(3) 0.5098(7) 0.0493(17) Uani 0.5 1 d . . P A 2
 H9A H 0.4893 0.1552 0.4288 0.059 Uiso 0.5 1 calc R . P A 2
 C12A C 0.5323(6) 0.1262(3) 0.6954(6) 0.0432(15) Uani 0.5 1 d . . P A 2
 H12A H 0.5398 0.1043 0.7613 0.052 Uiso 0.5 1 calc R . P A 2
 C16 C 0.7850(7) 0.0947(2) 0.3919(5) 0.0426(16) Uani 1 1 d . . . . .
 H16 H 0.6808 0.0833 0.3644 0.051 Uiso 1 1 calc R . . . .
 C1 C 0.8755(8) 0.2438(3) 0.7125(6) 0.0507(17) Uani 1 1 d . U . . .
 H1 H 0.7859 0.2665 0.7180 0.061 Uiso 1 1 calc R . . . .
 C2 C 1.1808(5) 0.0486(2) 0.9021(4) 0.0189(9) Uani 1 1 d . . . . .
 C3 C 1.0135(5) 0.0603(2) 0.8993(4) 0.0223(10) Uani 1 1 d . . . . .
 C4 C 1.1027(6) 0.2048(2) 0.6514(4) 0.0294(12) Uani 1 1 d . U . . .
 H4 H 1.1915 0.1966 0.6092 0.035 Uiso 1 1 calc R . . . .
 C5 C 1.2598(6) 0.0258(3) 0.7992(4) 0.0261(11) Uani 1 1 d . . . . .
 C7 C 1.0484(6) 0.0890(2) 1.1001(4) 0.0259(11) Uani 1 1 d . . . . .
 C10 C 0.8535(8) 0.1441(2) 0.3669(5) 0.0389(15) Uani 1 1 d . . . . .
 C11 C 1.0390(6) 0.0955(2) 0.4839(4) 0.0288(12) Uani 1 1 d . . . . .
 H11 H 1.1331 0.0856 0.5297 0.035 Uiso 1 1 calc R . . . .
 C13 C 0.9458(6) 0.0803(2) 0.9995(4) 0.0237(11) Uani 1 1 d . . . . .
 C14 C 1.2160(6) 0.0790(2) 1.1041(4) 0.0228(10) Uani 1 1 d . . . . .
 C17 C 0.7652(7) 0.0922(3) 0.9999(6) 0.0346(13) Uani 1 1 d . . . . .
 C18 C 1.2799(6) 0.0585(2) 1.0055(4) 0.0219(10) Uani 1 1 d . . . . .
 C19 C 1.0150(7) 0.1439(2) 0.4217(4) 0.0302(12) Uani 1 1 d . . . . .
 H19 H 1.0920 0.1712 0.4170 0.036 Uiso 1 1 calc R . . . .
 C20 C 0.8962(6) 0.0646(2) 0.4649(4) 0.0312(12) Uani 1 1 d . . . . .
 H20 H 0.8784 0.0304 0.4952 0.037 Uiso 1 1 calc R . . . .
 C21 C 0.9819(6) 0.2443(2) 0.6215(5) 0.0311(12) Uani 1 1 d . U . . .
 C22 C 1.0659(7) 0.1803(3) 0.7552(5) 0.0414(14) Uani 1 1 d . U . . .
 H22 H 1.1251 0.1525 0.7933 0.050 Uiso 1 1 calc R . . . .
 C23 C 1.3264(7) 0.0905(2) 1.2140(4) 0.0346(13) Uani 1 1 d . . . . .
 H23A H 1.3473 0.1286 1.2199 0.052 Uiso 1 1 calc GR . . . .
 H23B H 1.4280 0.0715 1.2105 0.052 Uiso 1 1 calc GR . . . .
 H23C H 1.2736 0.0786 1.2810 0.052 Uiso 1 1 calc GR . . . .
 C24 C 0.9267(9) 0.2041(3) 0.7919(6) 0.0550(18) Uani 1 1 d . U . . .
 H24 H 0.8761 0.1949 0.8586 0.066 Uiso 1 1 calc R . . . .
 C28 C 0.9790(8) 0.2827(2) 0.5221(5) 0.0439(15) Uani 1 1 d . . . . .
 H28A H 1.0493 0.2696 0.4656 0.066 Uiso 1 1 calc GR . . . .
 H28B H 1.0166 0.3175 0.5499 0.066 Uiso 1 1 calc GR . . . .
 H28C H 0.8692 0.2858 0.4867 0.066 Uiso 1 1 calc GR . . . .
 C25 C 0.7778(9) 0.1872(3) 0.2875(5) 0.055(2) Uani 1 1 d . U . . .
 H25A H 0.6608 0.1836 0.2821 0.083 Uiso 1 1 calc GR . . . .
 H25B H 0.8162 0.1833 0.2113 0.083 Uiso 1 1 calc GR . . . .
 H25C H 0.8081 0.2222 0.3183 0.083 Uiso 1 1 calc GR . . . .
 H5A H 1.216(6) -0.007(2) 0.780(5) 0.027(15) Uiso 1 1 d . . . . .
 H18 H 1.407(6) 0.048(2) 1.011(4) 0.017(12) Uiso 1 1 d . . . . .
 H5B H 1.250(6) 0.053(2) 0.734(5) 0.026(14) Uiso 1 1 d . . . . .
 H5C H 1.374(7) 0.019(2) 0.817(5) 0.042(17) Uiso 1 1 d . . . . .
 H17A H 0.692(7) 0.059(3) 0.977(5) 0.045(17) Uiso 1 1 d . . . . .
 H17B H 0.736(6) 0.120(3) 0.946(5) 0.032(15) Uiso 1 1 d . . . . .
 H4A H 0.951(6) 0.010(2) 0.713(4) 0.024(13) Uiso 1 1 d . . . . .
 H4B H 0.751(7) 0.031(3) 0.796(5) 0.056(19) Uiso 1 1 d . . . . .
 H7 H 1.009(6) 0.102(2) 1.162(5) 0.030(15) Uiso 1 1 d . . . . .
 H17C H 0.735(7) 0.104(3) 1.074(5) 0.045(17) Uiso 1 1 d . . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Dy1 C8 2.689(6) . ?
 Dy1 C9 2.696(6) . ?
 Dy1 C1 2.689(6) . ?
 Dy1 C10 2.720(6) . ?
 Dy1 C11 2.686(5) . ?
 Dy1 C19 2.709(5) . ?
 Dy1 C20 2.719(5) . ?
 Dy1 C21 2.698(5) . ?
 Dy1 C22 2.696(5) . ?
 Dy1 C24 2.675(6) . ?
 P1 C3 1.830(5) . ?
 C8 C27 1.560(11) . ?
 C8 C6 1.427(9) . ?
 C8 C9 1.374(10) . ?
 C15A C9 1.429(8) . ?
 C15A C12 1.406(9) . ?
 C6 C12 1.383(9) . ?
 C16 C10 1.385(9) . ?
 C16 C20 1.402(7) . ?
 C1 C21 1.418(8) . ?
 C1 C24 1.382(10) . ?
 C2 C3 1.399(6) . ?
 C2 C5 1.506(6) . ?
 C2 C18 1.405(6) . ?
 C3 C13 1.409(6) . ?
 C4 C21 1.413(8) . ?
 C4 C22 1.394(8) . ?
 C7 C13 1.390(7) . ?
 C7 C14 1.393(7) . ?
 C10 C19 1.418(8) . ?
 C10 C25 1.504(8) . ?
 C11 C19 1.400(7) . ?
 C11 C20 1.400(8) . ?
 C13 C17 1.510(7) . ?
 C14 C18 1.385(6) . ?
 C14 C23 1.519(6) . ?
 C21 C28 1.485(8) . ?
 C22 C24 1.380(9) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C8 Dy1 C9 29.6(2) . . ?
 C8 Dy1 C10 95.8(2) . . ?
 C8 Dy1 C19 122.50(19) . . ?
 C8 Dy1 C20 123.7(2) . . ?
 C8 Dy1 C21 92.2(2) . . ?
 C8 Dy1 C22 122.8(2) . . ?
 C9 Dy1 C10 78.4(2) . . ?
 C9 Dy1 C19 108.62(19) . . ?
 C9 Dy1 C20 94.4(2) . . ?
 C9 Dy1 C21 116.39(18) . . ?
 C9 Dy1 C22 151.8(2) . . ?
 C1 Dy1 C8 76.1(2) . . ?
 C1 Dy1 C9 105.4(2) . . ?
 C1 Dy1 C10 119.4(2) . . ?
 C1 Dy1 C19 108.72(18) . . ?
 C1 Dy1 C20 155.08(18) . . ?
 C1 Dy1 C21 30.52(17) . . ?
 C1 Dy1 C22 49.2(2) . . ?
 C11 Dy1 C8 144.6(2) . . ?
 C11 Dy1 C9 119.4(2) . . ?
 C11 Dy1 C1 125.14(17) . . ?
 C11 Dy1 C10 50.05(15) . . ?
 C11 Dy1 C19 30.08(16) . . ?
 C11 Dy1 C20 30.01(16) . . ?
 C11 Dy1 C21 97.55(17) . . ?
 C11 Dy1 C22 88.37(18) . . ?
 C19 Dy1 C10 30.29(17) . . ?
 C19 Dy1 C20 49.30(18) . . ?
 C20 Dy1 C10 49.58(17) . . ?
 C21 Dy1 C10 92.50(17) . . ?
 C21 Dy1 C19 78.20(17) . . ?
 C21 Dy1 C20 126.00(17) . . ?
 C22 Dy1 C10 122.25(19) . . ?
 C22 Dy1 C19 93.24(17) . . ?
 C22 Dy1 C20 113.50(18) . . ?
 C22 Dy1 C21 49.86(18) . . ?
 C24 Dy1 C8 94.0(2) . . ?
 C24 Dy1 C9 122.2(2) . . ?
 C24 Dy1 C1 29.9(2) . . ?
 C24 Dy1 C10 141.7(2) . . ?
 C24 Dy1 C11 118.14(19) . . ?
 C24 Dy1 C19 118.36(18) . . ?
 C24 Dy1 C20 141.7(2) . . ?
 C24 Dy1 C21 50.13(18) . . ?
 C24 Dy1 C22 29.8(2) . . ?
 C3 P1 Dy1 122.94(17) . . ?
 C27 C8 Dy1 118.1(5) . . ?
 C6 C8 Dy1 76.7(3) . . ?
 C6 C8 C27 115.2(7) . . ?
 C9 C8 Dy1 75.5(3) . . ?
 C9 C8 C27 136.9(7) . . ?
 C9 C8 C6 107.7(6) . . ?
 C9 C15A Dy1 73.2(3) . . ?
 C12 C15A Dy1 75.2(3) . . ?
 C12 C15A C9 104.5(6) . . ?
 C8 C6 Dy1 72.8(3) . . ?
 C12 C6 Dy1 75.3(3) . . ?
 C12 C6 C8 106.7(7) . . ?
 C8 C9 Dy1 74.9(4) . . ?
 C8 C9 C15A 110.1(7) . . ?
 C15A C9 Dy1 76.3(3) . . ?
 C15A C12 Dy1 75.0(3) . . ?
 C6 C12 Dy1 75.4(3) . . ?
 C6 C12 C15A 111.0(6) . . ?
 C10 C16 Dy1 74.4(3) . . ?
 C10 C16 C20 109.8(5) . . ?
 C20 C16 Dy1 74.2(3) . . ?
 C21 C1 Dy1 75.1(3) . . ?
 C24 C1 Dy1 74.5(4) . . ?
 C24 C1 C21 108.8(6) . . ?
 C3 C2 C5 123.0(4) . . ?
 C3 C2 C18 118.8(4) . . ?
 C18 C2 C5 118.3(4) . . ?
 C2 C3 P1 119.7(3) . . ?
 C2 C3 C13 120.3(4) . . ?
 C13 C3 P1 119.7(3) . . ?
 C21 C4 Dy1 74.0(3) . . ?
 C22 C4 Dy1 74.1(3) . . ?
 C22 C4 C21 108.2(5) . . ?
 C13 C7 C14 121.8(4) . . ?
 C16 C10 Dy1 76.2(4) . . ?
 C16 C10 C19 106.5(5) . . ?
 C16 C10 C25 126.7(6) . . ?
 C19 C10 Dy1 74.4(3) . . ?
 C19 C10 C25 126.6(6) . . ?
 C25 C10 Dy1 119.4(4) . . ?
 C19 C11 Dy1 75.9(3) . . ?
 C20 C11 Dy1 76.3(3) . . ?
 C20 C11 C19 107.9(4) . . ?
 C3 C13 C17 121.5(5) . . ?
 C7 C13 C3 118.9(4) . . ?
 C7 C13 C17 119.6(5) . . ?
 C7 C14 C23 120.8(4) . . ?
 C18 C14 C7 118.5(4) . . ?
 C18 C14 C23 120.7(4) . . ?
 C14 C18 C2 121.7(4) . . ?
 C10 C19 Dy1 75.3(3) . . ?
 C11 C19 Dy1 74.1(3) . . ?
 C11 C19 C10 108.5(5) . . ?
 C16 C20 Dy1 76.1(3) . . ?
 C11 C20 Dy1 73.7(3) . . ?
 C11 C20 C16 107.2(5) . . ?
 C1 C21 Dy1 74.4(3) . . ?
 C1 C21 C28 127.0(6) . . ?
 C4 C21 Dy1 75.8(3) . . ?
 C4 C21 C1 106.0(5) . . ?
 C4 C21 C28 126.6(5) . . ?
 C28 C21 Dy1 120.6(4) . . ?
 C4 C22 Dy1 76.1(3) . . ?
 C24 C22 Dy1 74.3(4) . . ?
 C24 C22 C4 108.6(6) . . ?
 C1 C24 Dy1 75.6(4) . . ?
 C22 C24 Dy1 76.0(4) . . ?
 C22 C24 C1 108.4(6) . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Dy1 P1 C3 C2 -92.5(4) . . . . ?
 Dy1 P1 C3 C13 82.1(4) . . . . ?
 Dy1 C8 C6 C12 -68.3(4) . . . . ?
 Dy1 C8 C9 C15A 68.9(4) . . . . ?
 Dy1 C15A C9 C8 -68.0(4) . . . . ?
 Dy1 C15A C12 C6 67.6(4) . . . . ?
 Dy1 C6 C12 C15A -67.3(4) . . . . ?
 Dy1 C16 C10 C19 68.9(4) . . . . ?
 Dy1 C16 C10 C25 -116.6(6) . . . . ?
 Dy1 C16 C20 C11 -67.7(4) . . . . ?
 Dy1 C1 C21 C4 -69.8(4) . . . . ?
 Dy1 C1 C21 C28 116.8(5) . . . . ?
 Dy1 C1 C24 C22 69.6(4) . . . . ?
 Dy1 C4 C21 C1 68.8(4) . . . . ?
 Dy1 C4 C21 C28 -117.7(5) . . . . ?
 Dy1 C4 C22 C24 -67.8(4) . . . . ?
 Dy1 C10 C19 C11 67.2(4) . . . . ?
 Dy1 C11 C19 C10 -68.0(4) . . . . ?
 Dy1 C11 C20 C16 69.3(4) . . . . ?
 Dy1 C22 C24 C1 -69.3(5) . . . . ?
 P1 C3 C13 C7 -173.7(4) . . . . ?
 P1 C3 C13 C17 6.6(7) . . . . ?
 C8 C6 C12 Dy1 66.6(4) . . . . ?
 C8 C6 C12 C15A -0.7(6) . . . . ?
 C27 C8 C6 Dy1 -115.1(6) . . . . ?
 C27 C8 C6 C12 176.6(6) . . . . ?
 C27 C8 C9 Dy1 115.8(9) . . . . ?
 C27 C8 C9 C15A -175.3(8) . . . . ?
 C6 C8 C9 Dy1 -70.6(4) . . . . ?
 C6 C8 C9 C15A -1.7(7) . . . . ?
 C9 C8 C6 Dy1 69.8(4) . . . . ?
 C9 C8 C6 C12 1.5(6) . . . . ?
 C9 C15A C12 Dy1 -67.9(4) . . . . ?
 C9 C15A C12 C6 -0.3(6) . . . . ?
 C12 C15A C9 Dy1 69.3(4) . . . . ?
 C12 C15A C9 C8 1.3(6) . . . . ?
 C16 C10 C19 Dy1 -70.1(4) . . . . ?
 C16 C10 C19 C11 -2.9(6) . . . . ?
 C2 C3 C13 C7 0.9(7) . . . . ?
 C2 C3 C13 C17 -178.7(5) . . . . ?
 C3 C2 C18 C14 0.4(8) . . . . ?
 C4 C22 C24 Dy1 69.0(4) . . . . ?
 C4 C22 C24 C1 -0.4(7) . . . . ?
 C5 C2 C3 P1 -7.1(7) . . . . ?
 C5 C2 C3 C13 178.3(5) . . . . ?
 C5 C2 C18 C14 -179.4(5) . . . . ?
 C7 C14 C18 C2 1.3(8) . . . . ?
 C10 C16 C20 Dy1 66.4(4) . . . . ?
 C10 C16 C20 C11 -1.3(7) . . . . ?
 C13 C7 C14 C18 -1.9(8) . . . . ?
 C13 C7 C14 C23 178.0(5) . . . . ?
 C14 C7 C13 C3 0.8(8) . . . . ?
 C14 C7 C13 C17 -179.5(5) . . . . ?
 C18 C2 C3 P1 173.1(4) . . . . ?
 C18 C2 C3 C13 -1.5(7) . . . . ?
 C19 C11 C20 Dy1 -69.9(4) . . . . ?
 C19 C11 C20 C16 -0.6(6) . . . . ?
 C20 C16 C10 Dy1 -66.3(4) . . . . ?
 C20 C16 C10 C19 2.6(7) . . . . ?
 C20 C16 C10 C25 177.0(6) . . . . ?
 C20 C11 C19 Dy1 70.2(4) . . . . ?
 C20 C11 C19 C10 2.2(6) . . . . ?
 C21 C1 C24 Dy1 -67.9(4) . . . . ?
 C21 C1 C24 C22 1.6(7) . . . . ?
 C21 C4 C22 Dy1 66.7(4) . . . . ?
 C21 C4 C22 C24 -1.0(6) . . . . ?
 C22 C4 C21 Dy1 -66.8(4) . . . . ?
 C22 C4 C21 C1 2.0(6) . . . . ?
 C22 C4 C21 C28 175.5(5) . . . . ?
 C23 C14 C18 C2 -178.6(5) . . . . ?
 C24 C1 C21 Dy1 67.5(5) . . . . ?
 C24 C1 C21 C4 -2.2(7) . . . . ?
 C24 C1 C21 C28 -175.7(5) . . . . ?
 C25 C10 C19 Dy1 115.4(6) . . . . ?
 C25 C10 C19 C11 -177.4(5) . . . . ?

_olex2_computing_structure_refinement_long 'ShelXL (Sheldrick, 2008)'
_olex2_computing_structure_solution_long 'ShelXS (Sheldrick, 2008)'
data_2
_audit_creation_date              2014-05-14
_audit_creation_method
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number            2013-2
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.
;
_chemical_name_common             ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety          'C63 H75 Dy3 P3, C7 H8'
_chemical_formula_sum             'C70 H83 Dy3 P3'
_chemical_formula_weight          1504.77
_chemical_absolute_configuration  ?
_chemical_melting_point           ?
_chemical_oxdiff_formula          'Dy3P3C80H128'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Dy' 'Dy' -0.1892 4.4098
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system       'monoclinic'
_space_group_IT_number            9
_space_group_name_H-M_alt         'C 1 c 1'
_space_group_name_Hall            'C -2yc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 'x, -y, z+1/2'
 'x+1/2, y+1/2, z'
 'x+1/2, -y+1/2, z+1/2'

_symmetry_space_group_name_H-M_alt 'C 1 c 1'
_cell_length_a                    14.8907(6)
_cell_length_b                    18.6253(8)
_cell_length_c                    23.5996(9)
_cell_angle_alpha                 90.0
_cell_angle_beta                  103.258(4)
_cell_angle_gamma                 90.0
_cell_volume                      6370.8(4)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     8304
_cell_measurement_temperature     150.06(14)
_cell_measurement_theta_max       26.4460
_cell_measurement_theta_min       3.4330
_cell_oxdiff_angle_alpha          90.007(4)
_cell_oxdiff_angle_beta           103.211(4)
_cell_oxdiff_angle_gamma          89.937(4)
_cell_oxdiff_length_a             14.8882(6)
_cell_oxdiff_length_b             18.6343(9)
_cell_oxdiff_length_c             23.5878(10)
_cell_oxdiff_measurement_reflns_used 8305
_cell_oxdiff_volume               6370.8(5)
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     3.594
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.49085
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour             ''
_exptl_crystal_density_diffrn     1.568
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        ''
_exptl_crystal_F_000              2984
_exptl_crystal_size_max           0.2
_exptl_crystal_size_mid           0.1
_exptl_crystal_size_min           0.05
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0798
_diffrn_reflns_av_unetI/netI      0.1132
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max        19
_diffrn_reflns_limit_h_min        -19
_diffrn_reflns_limit_k_max        25
_diffrn_reflns_limit_k_min        -23
_diffrn_reflns_limit_l_max        28
_diffrn_reflns_limit_l_min        -31
_diffrn_reflns_number             25068
_diffrn_reflns_point_group_measured_fraction_full 0.740
_diffrn_reflns_point_group_measured_fraction_max 0.737
_diffrn_reflns_theta_full         26.000
_diffrn_reflns_theta_max          26.363
_diffrn_reflns_theta_min          3.444
_diffrn_ambient_temperature       150.06(14)
_diffrn_detector_area_resol_mean  8.0714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -94.00  -34.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.7892  178.0000  -60.0000 60

#__ type_ start__ end____ width___ exp.time_
  2 omega   -7.00   66.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3360  -99.0000 -120.0000 73

#__ type_ start__ end____ width___ exp.time_
  3 omega   -1.00   52.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3360  -77.0000  120.0000 53

#__ type_ start__ end____ width___ exp.time_
  4 omega   35.00   64.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3360  -99.0000   30.0000 29

#__ type_ start__ end____ width___ exp.time_
  5 omega  -32.00   95.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3360   19.0000  120.0000 127

#__ type_ start__ end____ width___ exp.time_
  6 omega  -48.00   44.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3360  -57.0000  -60.0000 92
;
_diffrn_measurement_device_type   'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method        'ω scans'
_diffrn_orient_matrix_UB_11       -0.0034034000
_diffrn_orient_matrix_UB_12       0.0374309000
_diffrn_orient_matrix_UB_13       0.0045719000
_diffrn_orient_matrix_UB_21       0.0486100000
_diffrn_orient_matrix_UB_22       0.0019656000
_diffrn_orient_matrix_UB_23       0.0100980000
_diffrn_orient_matrix_UB_31       0.0045020000
_diffrn_orient_matrix_UB_32       0.0066284000
_diffrn_orient_matrix_UB_33       -0.0288312000
_diffrn_radiation_monochromator   'mirror'
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage          0.475
_reflns_Friedel_fraction_full     0.483
_reflns_Friedel_fraction_max      0.475
_reflns_number_gt                 8511
_reflns_number_total              9579
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      26.32
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2008)'
_computing_structure_solution     'XS (Sheldrick, 2008)'
_refine_diff_density_max          3.386
_refine_diff_density_min          -1.054
_refine_diff_density_rms          0.188
_refine_ls_abs_structure_details
;
 Flack x determined using 2335 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack    -0.002(16)
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.063
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      701
_refine_ls_number_reflns          9579
_refine_ls_number_restraints      131
_refine_ls_R_factor_all           0.0660
_refine_ls_R_factor_gt            0.0570
_refine_ls_restrained_S_all       1.067
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0572P)²+6.6100P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1221
_refine_ls_wR_factor_ref          0.1307
_refine_special_details
;
 ?
;
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H22(0.037) H33(0.046) H28(0.037) H34(0.041) H21(0.056) H2(0.04)
 H16(0.04) H26(0.04) H14(0.034) H4(0.042) H27(0.04) H1(0.047) H19(0.045)
 H3(0.036) H25(0.044) H13(0.038) H15(0.038) H31(0.046) H50(0.046) H48(0.055)
 H52A(0.072) H52B(0.072) H52C(0.072) H41(0.069) H10(0.048) H57(0.063) H9(0.048)
 H32(0.049) H20(0.058) H8(0.056) H7(0.068) H54A(0.083) H54B(0.083) H54C(0.083)
 H53A(0.122) H53B(0.122) H53C(0.122) H39(0.07) H61A(0.128) H61B(0.128)
 H61C(0.128) H63A(0.156) H63B(0.156) H63C(0.156) H43A(0.124) H43B(0.124)
 H43C(0.124) H65(0.118) H64(0.109) H67(0.125) H66(0.106) H30A(0.077)
 H30B(0.077) H30C(0.077) H6A(0.082) H6B(0.082) H6C(0.082) H36A(0.104)
 H36B(0.104) H36C(0.104) H45A(0.123) H45B(0.123) H45C(0.123) H59(0.083)
 H44A(0.123) H44B(0.123) H44C(0.123) H24A(0.075) H24B(0.075) H24C(0.075)
 H12A(0.097) H12B(0.097) H12C(0.097) H18A(0.094) H18B(0.094) H18C(0.094)
 H70A(0.16) H70B(0.16) H70C(0.16) H68(0.116) H62A(0.184) H62B(0.184) H62C(0.184)
 Fixed X: H22(-0.0197) H33(-0.2448) H28(-0.5285) H34(-0.2794) H21(-0.0745) H2(-
 0.4676) H16(-0.4565) H26(-0.5411) H14(-0.3259) H4(-0.3681) H27(-0.4986) H1(-
 0.3897) H19(-0.1863) H3(-0.4536) H25(-0.6083) H13(-0.31) H15(-0.4115) H31(-
 0.5154) H50(-0.047) H48(-0.2458) H52A(-0.3709) H52B(-0.373) H52C(-0.4204)
 H41(0.1546) H10(-0.1381) H57(-0.0832) H9(-0.0481) H32(-0.3899) H20(-0.174) H8(-
 0.0947) H7(-0.219) H54A(-0.1497) H54B(-0.1231) H54C(-0.052) H53A(-0.0187)
 H53B(-0.0871) H53C(-0.1045) H39(0.0646) H61A(-0.1032) H61B(-0.041) H61C(-
 0.1135) H63A(-0.4124) H63B(-0.451) H63C(-0.448) H43A(-0.1338) H43B(-0.0849)
 H43C(-0.1608) H65(0.0655) H64(0.2048) H67(0.1932) H66(0.0654) H30A(-0.6283)
 H30B(-0.6915) H30C(-0.5946) H6A(-0.2569) H6B(-0.3536) H6C(-0.2975) H36A(-
 0.5307) H36B(-0.4596) H36C(-0.4417) H45A(-0.0562) H45B(0.0411) H45C(0.0324)
 H59(-0.3279) H44A(0.25) H44B(0.2251) H44C(0.2587) H24A(-0.1472) H24B(-0.0539)
 H24C(-0.0549) H12A(-0.3272) H12B(-0.2472) H12C(-0.2992) H18A(-0.341) H18B(-
 0.4462) H18C(-0.4114) H70A(0.363) H70B(0.4185) H70C(0.3849) H68(0.3337) H62A(-
 0.1039) H62B(-0.2037) H62C(-0.1602)
 Fixed Y: H22(-0.5833) H33(-0.4384) H28(-0.379) H34(-0.5686) H21(-0.6485) H2(-
 0.2632) H16(-0.6162) H26(-0.5917) H14(-0.5351) H4(-0.3987) H27(-0.4989) H1(-
 0.1906) H19(-0.7432) H3(-0.3922) H25(-0.5365) H13(-0.6677) H15(-0.5019) H31(-
 0.4619) H50(-0.6609) H48(-0.8057) H52A(-0.8052) H52B(-0.7536) H52C(-0.7306)
 H41(-0.435) H10(-0.2351) H57(-0.2641) H9(-0.2984) H32(-0.3724) H20(-0.7484)
 H8(-0.248) H7(-0.1624) H54A(-0.5229) H54B(-0.5487) H54C(-0.556) H53A(-0.7754)
 H53B(-0.8393) H53C(-0.7855) H39(-0.4287) H61A(-0.3993) H61B(-0.334) H61C(-
 0.3648) H63A(-0.244) H63B(-0.2118) H63C(-0.2952) H43A(-0.4747) H43B(-0.4069)
 H43C(-0.3977) H65(-0.428) H64(-0.433) H67(-0.5033) H66(-0.4557) H30A(-0.3985)
 H30B(-0.3725) H30C(-0.3371) H6A(-0.2396) H6B(-0.2366) H6C(-0.3085) H36A(-
 0.6034) H36B(-0.6273) H36C(-0.6458) H45A(-0.4477) H45B(-0.4126) H45C(-0.4959)
 H59(-0.1748) H44A(-0.3828) H44B(-0.4397) H44C(-0.4649) H24A(-0.6241) H24B(-
 0.6666) H24C(-0.5858) H12A(-0.1211) H12B(-0.0862) H12C(-0.1537) H18A(-0.7764)
 H18B(-0.7689) H18C(-0.7564) H70A(-0.4484) H70B(-0.4481) H70C(-0.5209) H68(-
 0.5032) H62A(-0.1847) H62B(-0.1708) H62C(-0.118)
 Fixed Z: H22(-0.3035) H33(-0.068) H28(-0.2672) H34(-0.0684) H21(-0.2244) H2(-
 0.3227) H16(-0.3345) H26(-0.2465) H14(-0.4514) H4(-0.4271) H27(-0.3094) H1(-
 0.3852) H19(-0.3763) H3(-0.3482) H25(-0.1735) H13(-0.453) H15(-0.3783) H31(-
 0.0723) H50(-0.0588) H48(-0.0959) H52A(-0.1709) H52B(-0.2236) H52C(-0.1736)
 H41(-0.263) H10(-0.2016) H57(-0.0367) H9(-0.2614) H32(-0.0682) H20(-0.2732)
 H8(-0.3622) H7(-0.3642) H54A(-0.1162) H54B(-0.1734) H54C(-0.1134) H53A(-
 0.0132) H53B(-0.0333) H53C(0.0141) H39(-0.4335) H61A(-0.0988) H61B(-0.1072)
 H61C(-0.1606) H63A(-0.2027) H63B(-0.1517) H63C(-0.1599) H43A(-0.46) H43B(-
 0.4785) H43C(-0.4428) H65(-0.0038) H64(0.0638) H67(-0.1223) H66(-0.1023) H30A(-
 0.138) H30B(-0.1969) H30C(-0.1735) H6A(-0.4551) H6B(-0.4987) H6C(-0.4898)
 H36A(-0.0915) H36B(-0.0349) H36C(-0.0962) H45A(-0.2259) H45B(-0.2034) H45C(-
 0.2124) H59(-0.0642) H44A(-0.3451) H44B(-0.3952) H44C(-0.3304) H24A(-0.4477)
 H24B(-0.4355) H24C(-0.4173) H12A(-0.2898) H12B(-0.243) H12C(-0.227) H18A(-
 0.3771) H18B(-0.4065) H18C(-0.3393) H70A(0.0882) H70B(0.0392) H70C(0.0605)
 H68(-0.059) H62A(0.0309) H62B(0.0396) H62C(0.0017)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Dy1 Dy -0.26226(4) -0.30925(4) -0.31386(3) 0.02672(18) Uani 1 1 d . . . . .
 Dy2 Dy -0.24051(4) -0.59758(4) -0.32619(3) 0.02597(18) Uani 1 1 d . . . . .
 Dy3 Dy -0.40896(4) -0.48038(4) -0.17334(3) 0.02710(18) Uani 1 1 d . . . . .
 P1 P -0.1769(4) -0.4478(3) -0.3273(3) 0.0557(15) Uani 1 1 d . . . . .
 P2 P -0.3023(4) -0.5932(3) -0.2164(2) 0.0520(15) Uani 1 1 d . . . . .
 P3 P -0.3018(4) -0.3608(3) -0.2045(2) 0.0598(17) Uani 1 1 d . . . . .
 C22 C -0.0605(11) -0.6218(9) -0.3086(7) 0.031(4) Uani 1 1 d . . . . .
 H22 H -0.0197 -0.5833 -0.3035 0.037 Uiso 1 1 calc R . . . .
 C33 C -0.3021(13) -0.4588(12) -0.0689(7) 0.038(5) Uani 1 1 d . . . . .
 H33 H -0.2448 -0.4384 -0.0680 0.046 Uiso 1 1 calc R . . . .
 C28 C -0.5428(11) -0.4237(9) -0.2539(7) 0.031(4) Uani 1 1 d . . . . .
 H28 H -0.5285 -0.3790 -0.2672 0.037 Uiso 1 1 calc R . . . .
 C34 C -0.3222(13) -0.5319(10) -0.0700(7) 0.034(4) Uani 1 1 d . . . . .
 H34 H -0.2794 -0.5686 -0.0684 0.041 Uiso 1 1 calc R . . . .
 C21 C -0.0895(14) -0.6588(12) -0.2640(9) 0.047(5) Uani 1 1 d . U . . .
 H21 H -0.0745 -0.6485 -0.2244 0.056 Uiso 1 1 calc R . . . .
 C2 C -0.4384(11) -0.2809(10) -0.3506(7) 0.033(4) Uani 1 1 d . . . . .
 H2 H -0.4676 -0.2632 -0.3227 0.040 Uiso 1 1 calc R . . . .
 C42 C 0.0169(14) -0.4412(9) -0.2896(8) 0.043(5) Uani 1 1 d . . . . .
 C17 C -0.3829(12) -0.6720(9) -0.3874(8) 0.037(4) Uani 1 1 d . . . . .
 C16 C -0.4216(11) -0.6130(10) -0.3624(7) 0.033(4) Uani 1 1 d . . . . .
 H16 H -0.4565 -0.6162 -0.3345 0.040 Uiso 1 1 calc R . . . .
 C26 C -0.5486(12) -0.5426(9) -0.2425(7) 0.033(4) Uani 1 1 d . . . . .
 H26 H -0.5411 -0.5917 -0.2465 0.040 Uiso 1 1 calc R . . . .
 C14 C -0.3490(12) -0.5670(9) -0.4280(6) 0.029(4) Uani 1 1 d . . . . .
 H14 H -0.3259 -0.5351 -0.4514 0.034 Uiso 1 1 calc R . . . .
 C4 C -0.3821(12) -0.3569(10) -0.4094(7) 0.035(4) Uani 1 1 d . . . . .
 H4 H -0.3681 -0.3987 -0.4271 0.042 Uiso 1 1 calc R . . . .
 C27 C -0.5234(12) -0.4913(10) -0.2772(7) 0.034(4) Uani 1 1 d . . . . .
 H27 H -0.4986 -0.4989 -0.3094 0.040 Uiso 1 1 calc R . . . .
 C1 C -0.3944(13) -0.2404(9) -0.3858(7) 0.039(4) Uani 1 1 d . . . . .
 H1 H -0.3897 -0.1906 -0.3852 0.047 Uiso 1 1 calc R . . . .
 C19 C -0.1530(11) -0.7112(9) -0.3491(8) 0.038(4) Uani 1 1 d . . . . .
 H19 H -0.1863 -0.7432 -0.3763 0.045 Uiso 1 1 calc R . . . .
 C3 C -0.4306(10) -0.3533(9) -0.3651(7) 0.030(4) Uani 1 1 d . . . . .
 H3 H -0.4536 -0.3922 -0.3482 0.036 Uiso 1 1 calc R . . . .
 C25 C -0.5861(12) -0.5117(11) -0.2017(7) 0.037(4) Uani 1 1 d . . . . .
 H25 H -0.6083 -0.5365 -0.1735 0.044 Uiso 1 1 calc R . . . .
 C55 C -0.2634(12) -0.3003(9) -0.1423(7) 0.033(4) Uani 1 1 d . . . . .
 C13 C -0.3398(12) -0.6421(9) -0.4289(6) 0.031(4) Uani 1 1 d . . . . .
 H13 H -0.3100 -0.6677 -0.4530 0.038 Uiso 1 1 calc R . . . .
 C29 C -0.5868(10) -0.4351(10) -0.2081(7) 0.028(4) Uani 1 1 d . . . . .
 C15 C -0.3971(12) -0.5483(9) -0.3877(7) 0.031(4) Uani 1 1 d . . . . .
 H15 H -0.4115 -0.5019 -0.3783 0.038 Uiso 1 1 calc R . . . .
 C23 C -0.1030(12) -0.6526(10) -0.3619(7) 0.037(4) Uani 1 1 d . . . . .
 C37 C -0.0561(12) -0.4385(8) -0.3367(8) 0.038(4) Uani 1 1 d . . . . .
 C38 C -0.0380(15) -0.4319(10) -0.3926(8) 0.047(5) Uani 1 1 d . . . . .
 C31 C -0.4541(13) -0.4722(10) -0.0720(6) 0.038(4) Uani 1 1 d . . . . .
 H31 H -0.5154 -0.4619 -0.0723 0.046 Uiso 1 1 calc R . . . .
 C50 C -0.1042(12) -0.6756(10) -0.0807(7) 0.038(4) Uani 1 1 d . . . . .
 H50 H -0.0470 -0.6609 -0.0588 0.046 Uiso 1 1 calc R . . . .
 C56 C -0.1728(13) -0.3041(9) -0.1071(7) 0.037(4) Uani 1 1 d . . . . .
 C48 C -0.2220(15) -0.7613(10) -0.1029(9) 0.046(5) Uani 1 1 d . . . . .
 H48 H -0.2458 -0.8057 -0.0959 0.055 Uiso 1 1 calc R . . . .
 C46 C -0.2394(13) -0.6536(10) -0.1585(7) 0.040(5) Uani 1 1 d . . . . .
 C11 C -0.2055(13) -0.1805(9) -0.2771(10) 0.049(5) Uani 1 1 d . . . . .
 C51 C -0.1533(12) -0.6317(8) -0.1247(7) 0.031(4) Uani 1 1 d . . . . .
 C52 C -0.3692(12) -0.7559(11) -0.1825(8) 0.048(4) Uani 1 1 d . U . . .
 H52A H -0.3709 -0.8052 -0.1709 0.072 Uiso 1 1 calc GR . . . .
 H52B H -0.3730 -0.7536 -0.2236 0.072 Uiso 1 1 calc GR . . . .
 H52C H -0.4204 -0.7306 -0.1736 0.072 Uiso 1 1 calc GR . . . .
 C41 C 0.1069(16) -0.4354(11) -0.2962(10) 0.058(6) Uani 1 1 d . . . . .
 H41 H 0.1546 -0.4350 -0.2630 0.069 Uiso 1 1 calc R . . . .
 C10 C -0.1434(14) -0.2284(10) -0.2413(7) 0.040(5) Uani 1 1 d . . . . .
 H10 H -0.1381 -0.2351 -0.2016 0.048 Uiso 1 1 calc R . . . .
 C49 C -0.1407(15) -0.7418(10) -0.0693(8) 0.045(5) Uani 1 1 d . . . . .
 C57 C -0.1435(15) -0.2612(11) -0.0586(8) 0.052(5) Uani 1 1 d . U . . .
 H57 H -0.0832 -0.2641 -0.0367 0.063 Uiso 1 1 calc R . . . .
 C47 C -0.2737(12) -0.7195(10) -0.1478(8) 0.041(4) Uani 1 1 d . . . . .
 C9 C -0.0924(13) -0.2631(10) -0.2742(8) 0.040(5) Uani 1 1 d . . . . .
 H9 H -0.0481 -0.2984 -0.2614 0.048 Uiso 1 1 calc R . . . .
 C5 C -0.3579(12) -0.2865(11) -0.4227(8) 0.039(4) Uani 1 1 d . . . . .
 C32 C -0.3835(13) -0.4220(10) -0.0694(7) 0.041(4) Uani 1 1 d . . . . .
 H32 H -0.3899 -0.3724 -0.0682 0.049 Uiso 1 1 calc R . . . .
 C35 C -0.4159(13) -0.5417(9) -0.0740(7) 0.037(4) Uani 1 1 d . . . . .
 C20 C -0.1457(14) -0.7142(10) -0.2920(9) 0.048(5) Uani 1 1 d . . . . .
 H20 H -0.1740 -0.7484 -0.2732 0.058 Uiso 1 1 calc R . . . .
 C40 C 0.1289(16) -0.4302(12) -0.3494(13) 0.068(7) Uani 1 1 d . . . . .
 C8 C -0.1194(12) -0.2356(11) -0.3308(8) 0.046(5) Uani 1 1 d . U . . .
 H8 H -0.0947 -0.2480 -0.3622 0.056 Uiso 1 1 calc R . . . .
 C7 C -0.1880(14) -0.1874(11) -0.3314(9) 0.057(6) Uani 1 1 d . . . . .
 H7 H -0.2190 -0.1624 -0.3642 0.068 Uiso 1 1 calc R . . . .
 C54 C -0.1162(16) -0.5582(10) -0.1327(9) 0.055(5) Uani 1 1 d . U . . .
 H54A H -0.1497 -0.5229 -0.1162 0.083 Uiso 1 1 calc GR . . . .
 H54B H -0.1231 -0.5487 -0.1734 0.083 Uiso 1 1 calc GR . . . .
 H54C H -0.0520 -0.5560 -0.1134 0.083 Uiso 1 1 calc GR . . . .
 C53 C -0.0821(19) -0.7901(14) -0.0208(9) 0.081(8) Uani 1 1 d . U . . .
 H53A H -0.0187 -0.7754 -0.0132 0.122 Uiso 1 1 calc GR . . . .
 H53B H -0.0871 -0.8393 -0.0333 0.122 Uiso 1 1 calc GR . . . .
 H53C H -0.1045 -0.7855 0.0141 0.122 Uiso 1 1 calc GR . . . .
 C39 C 0.0530(17) -0.4301(11) -0.3965(11) 0.059(6) Uani 1 1 d . . . . .
 H39 H 0.0646 -0.4287 -0.4335 0.070 Uiso 1 1 calc R . . . .
 C60 C -0.3254(15) -0.2528(13) -0.1256(9) 0.059(6) Uani 1 1 d . . . . .
 C61 C -0.1011(18) -0.3552(14) -0.1196(12) 0.085(8) Uani 1 1 d . U . . .
 H61A H -0.1032 -0.3993 -0.0988 0.128 Uiso 1 1 calc GR . . . .
 H61B H -0.0410 -0.3340 -0.1072 0.128 Uiso 1 1 calc GR . . . .
 H61C H -0.1135 -0.3648 -0.1606 0.128 Uiso 1 1 calc GR . . . .
 C63 C -0.417(2) -0.2508(18) -0.1631(13) 0.104(10) Uani 1 1 d . U . . .
 H63A H -0.4124 -0.2440 -0.2027 0.156 Uiso 1 1 calc GR . . . .
 H63B H -0.4510 -0.2118 -0.1517 0.156 Uiso 1 1 calc GR . . . .
 H63C H -0.4480 -0.2952 -0.1599 0.156 Uiso 1 1 calc GR . . . .
 C43 C -0.1110(17) -0.4274(12) -0.4486(10) 0.083(8) Uani 1 1 d . U . . .
 H43A H -0.1338 -0.4747 -0.4600 0.124 Uiso 1 1 calc GR . . . .
 H43B H -0.0849 -0.4069 -0.4785 0.124 Uiso 1 1 calc GR . . . .
 H43C H -0.1608 -0.3977 -0.4428 0.124 Uiso 1 1 calc GR . . . .
 C65 C 0.119(2) -0.4418(16) -0.0146(13) 0.098(11) Uani 1 1 d . . . . .
 H65 H 0.0655 -0.4280 -0.0038 0.118 Uiso 1 1 calc R . . . .
 C64 C 0.203(2) -0.4449(14) 0.0252(13) 0.090(9) Uani 1 1 d . . . . .
 H64 H 0.2048 -0.4330 0.0638 0.109 Uiso 1 1 calc R . . . .
 C67 C 0.197(2) -0.486(2) -0.0850(13) 0.104(11) Uani 1 1 d . . . . .
 H67 H 0.1932 -0.5033 -0.1223 0.125 Uiso 1 1 calc R . . . .
 C66 C 0.1187(19) -0.4606(17) -0.0730(13) 0.088(9) Uani 1 1 d . . . . .
 H66 H 0.0654 -0.4557 -0.1023 0.106 Uiso 1 1 calc R . . . .
 C30 C -0.6290(13) -0.3811(12) -0.1763(8) 0.051(5) Uani 1 1 d . U . . .
 H30A H -0.6283 -0.3985 -0.1380 0.077 Uiso 1 1 calc GR . . . .
 H30B H -0.6915 -0.3725 -0.1969 0.077 Uiso 1 1 calc GR . . . .
 H30C H -0.5946 -0.3371 -0.1735 0.077 Uiso 1 1 calc GR . . . .
 C6 C -0.3124(15) -0.2660(12) -0.4709(8) 0.054(5) Uani 1 1 d . U . . .
 H6A H -0.2569 -0.2396 -0.4551 0.082 Uiso 1 1 calc GR . . . .
 H6B H -0.3536 -0.2366 -0.4987 0.082 Uiso 1 1 calc GR . . . .
 H6C H -0.2975 -0.3085 -0.4898 0.082 Uiso 1 1 calc GR . . . .
 C36 C -0.4665(16) -0.6107(13) -0.0742(10) 0.069(6) Uani 1 1 d . U . . .
 H36A H -0.5307 -0.6034 -0.0915 0.104 Uiso 1 1 calc GR . . . .
 H36B H -0.4596 -0.6273 -0.0349 0.104 Uiso 1 1 calc GR . . . .
 H36C H -0.4417 -0.6458 -0.0962 0.104 Uiso 1 1 calc GR . . . .
 C45 C 0.008(2) -0.4502(13) -0.2271(10) 0.082(8) Uani 1 1 d . U . . .
 H45A H -0.0562 -0.4477 -0.2259 0.123 Uiso 1 1 calc GR . . . .
 H45B H 0.0411 -0.4126 -0.2034 0.123 Uiso 1 1 calc GR . . . .
 H45C H 0.0324 -0.4959 -0.2124 0.123 Uiso 1 1 calc GR . . . .
 C58 C -0.206(2) -0.2138(13) -0.0432(10) 0.070(6) Uani 1 1 d . U . . .
 C59 C -0.2890(19) -0.2088(13) -0.0748(11) 0.069(6) Uani 1 1 d . U . . .
 H59 H -0.3279 -0.1748 -0.0642 0.083 Uiso 1 1 calc R . . . .
 C44 C 0.2237(16) -0.4293(15) -0.3555(13) 0.082(8) Uani 1 1 d . U . . .
 H44A H 0.2500 -0.3828 -0.3451 0.123 Uiso 1 1 calc GR . . . .
 H44B H 0.2251 -0.4397 -0.3952 0.123 Uiso 1 1 calc GR . . . .
 H44C H 0.2587 -0.4649 -0.3304 0.123 Uiso 1 1 calc GR . . . .
 C24 C -0.0884(14) -0.6302(11) -0.4210(8) 0.050(5) Uani 1 1 d . U . . .
 H24A H -0.1472 -0.6241 -0.4477 0.075 Uiso 1 1 calc GR . . . .
 H24B H -0.0539 -0.6666 -0.4355 0.075 Uiso 1 1 calc GR . . . .
 H24C H -0.0549 -0.5858 -0.4173 0.075 Uiso 1 1 calc GR . . . .
 C12 C -0.2766(14) -0.1305(11) -0.2573(11) 0.065(6) Uani 1 1 d . U . . .
 H12A H -0.3272 -0.1211 -0.2898 0.097 Uiso 1 1 calc GR . . . .
 H12B H -0.2472 -0.0862 -0.2430 0.097 Uiso 1 1 calc GR . . . .
 H12C H -0.2992 -0.1537 -0.2270 0.097 Uiso 1 1 calc GR . . . .
 C18 C -0.3966(17) -0.7506(11) -0.3766(10) 0.063(6) Uani 1 1 d . U . . .
 H18A H -0.3410 -0.7764 -0.3771 0.094 Uiso 1 1 calc GR . . . .
 H18B H -0.4462 -0.7689 -0.4065 0.094 Uiso 1 1 calc GR . . . .
 H18C H -0.4114 -0.7564 -0.3393 0.094 Uiso 1 1 calc GR . . . .
 C69 C 0.2853(19) -0.4654(12) 0.0097(13) 0.077(8) Uani 1 1 d . . . . .
 C70 C 0.370(2) -0.4712(17) 0.0529(14) 0.106(10) Uani 1 1 d . U . . .
 H70A H 0.3630 -0.4484 0.0882 0.160 Uiso 1 1 calc GR . . . .
 H70B H 0.4185 -0.4481 0.0392 0.160 Uiso 1 1 calc GR . . . .
 H70C H 0.3849 -0.5209 0.0605 0.160 Uiso 1 1 calc GR . . . .
 C68 C 0.281(2) -0.4878(19) -0.0473(12) 0.097(10) Uani 1 1 d . . . . .
 H68 H 0.3337 -0.5032 -0.0590 0.116 Uiso 1 1 calc R . . . .
 C62 C -0.164(3) -0.1673(17) 0.0128(12) 0.123(11) Uani 1 1 d . U . . .
 H62A H -0.1039 -0.1847 0.0309 0.184 Uiso 1 1 calc GR . . . .
 H62B H -0.2037 -0.1708 0.0396 0.184 Uiso 1 1 calc GR . . . .
 H62C H -0.1602 -0.1180 0.0017 0.184 Uiso 1 1 calc GR . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Dy1 P1 2.928(5) . ?
 Dy1 P3 2.938(5) . ?
 Dy1 C2 2.621(16) . ?
 Dy1 C4 2.685(16) . ?
 Dy1 C1 2.621(16) . ?
 Dy1 C3 2.651(15) . ?
 Dy1 C11 2.624(17) . ?
 Dy1 C10 2.636(18) . ?
 Dy1 C9 2.633(18) . ?
 Dy1 C5 2.670(17) . ?
 Dy1 C8 2.639(17) . ?
 Dy1 C7 2.599(18) . ?
 Dy2 P1 2.948(5) . ?
 Dy2 P2 2.943(5) . ?
 Dy2 C22 2.657(16) . ?
 Dy2 C21 2.645(19) . ?
 Dy2 C17 2.665(17) . ?
 Dy2 C16 2.651(17) . ?
 Dy2 C14 2.633(15) . ?
 Dy2 C19 2.607(16) . ?
 Dy2 C13 2.665(15) . ?
 Dy2 C15 2.615(17) . ?
 Dy2 C23 2.598(16) . ?
 Dy2 C20 2.616(18) . ?
 Dy3 P2 2.953(5) . ?
 Dy3 P3 2.931(5) . ?
 Dy3 C33 2.641(17) . ?
 Dy3 C28 2.640(17) . ?
 Dy3 C34 2.663(16) . ?
 Dy3 C26 2.604(17) . ?
 Dy3 C27 2.653(16) . ?
 Dy3 C25 2.635(18) . ?
 Dy3 C29 2.722(15) . ?
 Dy3 C31 2.635(15) . ?
 Dy3 C32 2.631(16) . ?
 Dy3 C35 2.633(15) . ?
 P1 C37 1.870(18) . ?
 P2 C46 1.852(17) . ?
 P3 C55 1.835(16) . ?
 C22 H22 0.9300 . ?
 C22 C21 1.41(3) . ?
 C22 C23 1.40(2) . ?
 C33 H33 0.9300 . ?
 C33 C34 1.39(3) . ?
 C33 C32 1.39(3) . ?
 C28 H28 0.9300 . ?
 C28 C27 1.43(2) . ?
 C28 C29 1.40(2) . ?
 C34 H34 0.9300 . ?
 C34 C35 1.39(3) . ?
 C21 H21 0.9300 . ?
 C21 C20 1.40(3) . ?
 C2 H2 0.9300 . ?
 C2 C1 1.39(2) . ?
 C2 C3 1.40(2) . ?
 C42 C37 1.37(3) . ?
 C42 C41 1.39(3) . ?
 C42 C45 1.52(3) . ?
 C17 C16 1.43(2) . ?
 C17 C13 1.40(2) . ?
 C17 C18 1.51(3) . ?
 C16 H16 0.9300 . ?
 C16 C15 1.43(2) . ?
 C26 H26 0.9300 . ?
 C26 C27 1.37(2) . ?
 C26 C25 1.35(2) . ?
 C14 H14 0.9300 . ?
 C14 C13 1.41(2) . ?
 C14 C15 1.36(2) . ?
 C4 H4 0.9300 . ?
 C4 C3 1.40(2) . ?
 C4 C5 1.41(3) . ?
 C27 H27 0.9300 . ?
 C1 H1 0.9300 . ?
 C1 C5 1.42(3) . ?
 C19 H19 0.9300 . ?
 C19 C23 1.39(2) . ?
 C19 C20 1.33(2) . ?
 C3 H3 0.9300 . ?
 C25 H25 0.9300 . ?
 C25 C29 1.43(3) . ?
 C55 C56 1.42(2) . ?
 C55 C60 1.40(3) . ?
 C13 H13 0.9300 . ?
 C29 C30 1.48(2) . ?
 C15 H15 0.9300 . ?
 C23 C24 1.52(2) . ?
 C37 C38 1.41(2) . ?
 C38 C39 1.38(3) . ?
 C38 C43 1.51(3) . ?
 C31 H31 0.9300 . ?
 C31 C32 1.40(3) . ?
 C31 C35 1.42(2) . ?
 C50 H50 0.9300 . ?
 C50 C51 1.39(2) . ?
 C50 C49 1.40(3) . ?
 C56 C57 1.38(3) . ?
 C56 C61 1.51(3) . ?
 C48 H48 0.9300 . ?
 C48 C49 1.34(3) . ?
 C48 C47 1.39(3) . ?
 C46 C51 1.41(2) . ?
 C46 C47 1.38(3) . ?
 C11 C10 1.42(3) . ?
 C11 C7 1.37(3) . ?
 C11 C12 1.56(3) . ?
 C51 C54 1.51(2) . ?
 C52 H52A 0.9600 . ?
 C52 H52B 0.9600 . ?
 C52 H52C 0.9600 . ?
 C52 C47 1.62(3) . ?
 C41 H41 0.9300 . ?
 C41 C40 1.37(3) . ?
 C10 H10 0.9300 . ?
 C10 C9 1.37(3) . ?
 C49 C53 1.56(2) . ?
 C57 H57 0.9300 . ?
 C57 C58 1.39(3) . ?
 C9 H9 0.9300 . ?
 C9 C8 1.40(3) . ?
 C5 C6 1.50(2) . ?
 C32 H32 0.9300 . ?
 C35 C36 1.49(3) . ?
 C20 H20 0.9300 . ?
 C40 C39 1.39(3) . ?
 C40 C44 1.45(3) . ?
 C8 H8 0.9300 . ?
 C8 C7 1.36(3) . ?
 C7 H7 0.9300 . ?
 C54 H54A 0.9600 . ?
 C54 H54B 0.9600 . ?
 C54 H54C 0.9600 . ?
 C53 H53A 0.9600 . ?
 C53 H53B 0.9600 . ?
 C53 H53C 0.9600 . ?
 C39 H39 0.9300 . ?
 C60 C63 1.45(4) . ?
 C60 C59 1.45(3) . ?
 C61 H61A 0.9600 . ?
 C61 H61B 0.9600 . ?
 C61 H61C 0.9600 . ?
 C63 H63A 0.9600 . ?
 C63 H63B 0.9600 . ?
 C63 H63C 0.9600 . ?
 C43 H43A 0.9600 . ?
 C43 H43B 0.9600 . ?
 C43 H43C 0.9600 . ?
 C65 H65 0.9300 . ?
 C65 C64 1.38(4) . ?
 C65 C66 1.42(4) . ?
 C64 H64 0.9300 . ?
 C64 C69 1.42(4) . ?
 C67 H67 0.9300 . ?
 C67 C66 1.35(4) . ?
 C67 C68 1.36(4) . ?
 C66 H66 0.9300 . ?
 C30 H30A 0.9600 . ?
 C30 H30B 0.9600 . ?
 C30 H30C 0.9600 . ?
 C6 H6A 0.9600 . ?
 C6 H6B 0.9600 . ?
 C6 H6C 0.9600 . ?
 C36 H36A 0.9600 . ?
 C36 H36B 0.9600 . ?
 C36 H36C 0.9600 . ?
 C45 H45A 0.9600 . ?
 C45 H45B 0.9600 . ?
 C45 H45C 0.9600 . ?
 C58 C59 1.30(3) . ?
 C58 C62 1.58(3) . ?
 C59 H59 0.9300 . ?
 C44 H44A 0.9600 . ?
 C44 H44B 0.9600 . ?
 C44 H44C 0.9600 . ?
 C24 H24A 0.9600 . ?
 C24 H24B 0.9600 . ?
 C24 H24C 0.9600 . ?
 C12 H12A 0.9600 . ?
 C12 H12B 0.9600 . ?
 C12 H12C 0.9600 . ?
 C18 H18A 0.9600 . ?
 C18 H18B 0.9600 . ?
 C18 H18C 0.9600 . ?
 C69 C70 1.43(4) . ?
 C69 C68 1.40(4) . ?
 C70 H70A 0.9600 . ?
 C70 H70B 0.9600 . ?
 C70 H70C 0.9600 . ?
 C68 H68 0.9300 . ?
 C62 H62A 0.9600 . ?
 C62 H62B 0.9600 . ?
 C62 H62C 0.9600 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 P1 Dy1 P3 89.24(19) . . ?
 C2 Dy1 P1 124.6(4) . . ?
 C2 Dy1 P3 88.3(4) . . ?
 C2 Dy1 C4 50.7(5) . . ?
 C2 Dy1 C1 30.8(5) . . ?
 C2 Dy1 C3 30.8(5) . . ?
 C2 Dy1 C11 98.5(6) . . ?
 C2 Dy1 C10 124.9(6) . . ?
 C2 Dy1 C9 149.2(6) . . ?
 C2 Dy1 C5 51.4(6) . . ?
 C2 Dy1 C8 128.7(6) . . ?
 C4 Dy1 P1 80.7(4) . . ?
 C4 Dy1 P3 113.7(4) . . ?
 C1 Dy1 P1 129.9(4) . . ?
 C1 Dy1 P3 117.2(4) . . ?
 C1 Dy1 C4 50.4(6) . . ?
 C1 Dy1 C3 50.6(5) . . ?
 C1 Dy1 C11 84.5(6) . . ?
 C1 Dy1 C10 115.7(6) . . ?
 C1 Dy1 C9 126.0(6) . . ?
 C1 Dy1 C5 31.1(6) . . ?
 C1 Dy1 C8 99.2(6) . . ?
 C3 Dy1 P1 93.8(4) . . ?
 C3 Dy1 P3 86.6(4) . . ?
 C3 Dy1 C4 30.5(5) . . ?
 C3 Dy1 C5 50.9(5) . . ?
 C11 Dy1 P1 136.7(4) . . ?
 C11 Dy1 P3 97.0(5) . . ?
 C11 Dy1 C4 133.0(6) . . ?
 C11 Dy1 C3 129.2(6) . . ?
 C11 Dy1 C10 31.2(6) . . ?
 C11 Dy1 C9 51.2(6) . . ?
 C11 Dy1 C5 103.5(6) . . ?
 C11 Dy1 C8 50.6(6) . . ?
 C10 Dy1 P1 109.3(5) . . ?
 C10 Dy1 P3 81.7(4) . . ?
 C10 Dy1 C4 162.3(5) . . ?
 C10 Dy1 C3 153.8(6) . . ?
 C10 Dy1 C5 131.7(6) . . ?
 C10 Dy1 C8 49.9(6) . . ?
 C9 Dy1 P1 85.4(4) . . ?
 C9 Dy1 P3 99.4(4) . . ?
 C9 Dy1 C4 143.7(6) . . ?
 C9 Dy1 C3 173.9(6) . . ?
 C9 Dy1 C10 30.1(6) . . ?
 C9 Dy1 C5 123.2(6) . . ?
 C9 Dy1 C8 30.8(6) . . ?
 C5 Dy1 P1 100.6(5) . . ?
 C5 Dy1 P3 136.6(4) . . ?
 C5 Dy1 C4 30.6(5) . . ?
 C8 Dy1 P1 93.3(5) . . ?
 C8 Dy1 P3 129.4(4) . . ?
 C8 Dy1 C4 116.6(5) . . ?
 C8 Dy1 C3 143.4(5) . . ?
 C8 Dy1 C5 92.5(6) . . ?
 C7 Dy1 P1 122.8(6) . . ?
 C7 Dy1 P3 127.1(5) . . ?
 C7 Dy1 C2 101.6(6) . . ?
 C7 Dy1 C4 112.3(6) . . ?
 C7 Dy1 C1 75.7(6) . . ?
 C7 Dy1 C3 126.1(6) . . ?
 C7 Dy1 C11 30.5(6) . . ?
 C7 Dy1 C10 50.0(6) . . ?
 C7 Dy1 C9 50.4(6) . . ?
 C7 Dy1 C5 82.0(6) . . ?
 C7 Dy1 C8 30.0(6) . . ?
 P2 Dy2 P1 98.52(17) . . ?
 C22 Dy2 P1 81.2(4) . . ?
 C22 Dy2 P2 112.1(4) . . ?
 C22 Dy2 C17 130.2(5) . . ?
 C22 Dy2 C13 114.7(5) . . ?
 C21 Dy2 P1 100.3(5) . . ?
 C21 Dy2 P2 85.5(5) . . ?
 C21 Dy2 C22 30.8(6) . . ?
 C21 Dy2 C17 123.1(6) . . ?
 C21 Dy2 C16 143.6(7) . . ?
 C21 Dy2 C13 126.5(6) . . ?
 C17 Dy2 P1 134.8(4) . . ?
 C17 Dy2 P2 96.9(4) . . ?
 C17 Dy2 C13 30.5(5) . . ?
 C16 Dy2 P1 113.9(4) . . ?
 C16 Dy2 P2 77.6(4) . . ?
 C16 Dy2 C22 161.4(5) . . ?
 C16 Dy2 C17 31.2(5) . . ?
 C16 Dy2 C13 50.4(5) . . ?
 C14 Dy2 P1 85.3(4) . . ?
 C14 Dy2 P2 123.2(4) . . ?
 C14 Dy2 C22 124.4(5) . . ?
 C14 Dy2 C21 149.9(5) . . ?
 C14 Dy2 C17 51.1(5) . . ?
 C14 Dy2 C16 50.4(5) . . ?
 C14 Dy2 C13 30.8(5) . . ?
 C19 Dy2 P1 126.1(4) . . ?
 C19 Dy2 P2 118.5(4) . . ?
 C19 Dy2 C22 50.2(5) . . ?
 C19 Dy2 C21 50.5(6) . . ?
 C19 Dy2 C17 80.7(5) . . ?
 C19 Dy2 C16 111.4(5) . . ?
 C19 Dy2 C14 102.6(5) . . ?
 C19 Dy2 C13 76.0(5) . . ?
 C19 Dy2 C15 126.5(5) . . ?
 C19 Dy2 C20 29.5(5) . . ?
 C13 Dy2 P1 113.5(4) . . ?
 C13 Dy2 P2 126.1(4) . . ?
 C15 Dy2 P1 84.9(4) . . ?
 C15 Dy2 P2 93.4(4) . . ?
 C15 Dy2 C22 152.4(5) . . ?
 C15 Dy2 C21 174.8(7) . . ?
 C15 Dy2 C17 52.0(5) . . ?
 C15 Dy2 C16 31.5(5) . . ?
 C15 Dy2 C14 30.1(5) . . ?
 C15 Dy2 C13 50.7(5) . . ?
 C15 Dy2 C20 144.3(6) . . ?
 C23 Dy2 P1 95.2(4) . . ?
 C23 Dy2 P2 136.6(4) . . ?
 C23 Dy2 C22 30.8(5) . . ?
 C23 Dy2 C21 51.5(6) . . ?
 C23 Dy2 C17 102.0(6) . . ?
 C23 Dy2 C16 132.2(5) . . ?
 C23 Dy2 C14 98.8(5) . . ?
 C23 Dy2 C19 31.1(5) . . ?
 C23 Dy2 C13 84.0(5) . . ?
 C23 Dy2 C15 128.9(5) . . ?
 C23 Dy2 C20 50.4(6) . . ?
 C20 Dy2 P1 129.5(5) . . ?
 C20 Dy2 P2 90.4(4) . . ?
 C20 Dy2 C22 49.9(6) . . ?
 C20 Dy2 C21 30.8(6) . . ?
 C20 Dy2 C17 92.4(6) . . ?
 C20 Dy2 C16 116.5(6) . . ?
 C20 Dy2 C14 129.5(6) . . ?
 C20 Dy2 C13 99.8(6) . . ?
 P3 Dy3 P2 95.05(18) . . ?
 C33 Dy3 P2 100.0(5) . . ?
 C33 Dy3 P3 82.6(4) . . ?
 C33 Dy3 C34 30.5(6) . . ?
 C33 Dy3 C27 175.0(6) . . ?
 C33 Dy3 C29 124.8(5) . . ?
 C28 Dy3 P2 114.4(4) . . ?
 C28 Dy3 P3 83.1(4) . . ?
 C28 Dy3 C33 143.7(6) . . ?
 C28 Dy3 C34 158.7(5) . . ?
 C28 Dy3 C27 31.3(5) . . ?
 C28 Dy3 C29 30.3(5) . . ?
 C34 Dy3 P2 82.7(4) . . ?
 C34 Dy3 P3 109.0(4) . . ?
 C34 Dy3 C29 128.5(5) . . ?
 C26 Dy3 P2 83.3(4) . . ?
 C26 Dy3 P3 125.7(4) . . ?
 C26 Dy3 C33 151.3(5) . . ?
 C26 Dy3 C28 50.5(5) . . ?
 C26 Dy3 C34 124.3(5) . . ?
 C26 Dy3 C27 30.1(5) . . ?
 C26 Dy3 C25 29.8(5) . . ?
 C26 Dy3 C29 50.7(5) . . ?
 C26 Dy3 C31 105.2(6) . . ?
 C26 Dy3 C32 133.8(6) . . ?
 C26 Dy3 C35 100.2(5) . . ?
 C27 Dy3 P2 84.8(4) . . ?
 C27 Dy3 P3 95.6(4) . . ?
 C27 Dy3 C34 153.2(6) . . ?
 C27 Dy3 C29 51.0(5) . . ?
 C25 Dy3 P2 110.0(4) . . ?
 C25 Dy3 P3 132.5(4) . . ?
 C25 Dy3 C33 128.7(5) . . ?
 C25 Dy3 C28 50.1(5) . . ?
 C25 Dy3 C34 113.6(6) . . ?
 C25 Dy3 C27 49.8(5) . . ?
 C25 Dy3 C29 31.0(6) . . ?
 C29 Dy3 P2 132.9(4) . . ?
 C29 Dy3 P3 103.7(4) . . ?
 C31 Dy3 P2 128.6(4) . . ?
 C31 Dy3 P3 116.8(4) . . ?
 C31 Dy3 C33 50.8(5) . . ?
 C31 Dy3 C28 108.9(5) . . ?
 C31 Dy3 C34 50.2(5) . . ?
 C31 Dy3 C27 126.8(5) . . ?
 C31 Dy3 C25 78.1(6) . . ?
 C31 Dy3 C29 79.7(5) . . ?
 C32 Dy3 P2 129.9(4) . . ?
 C32 Dy3 P3 87.1(4) . . ?
 C32 Dy3 C33 30.6(6) . . ?
 C32 Dy3 C28 115.5(5) . . ?
 C32 Dy3 C34 50.1(6) . . ?
 C32 Dy3 C27 144.9(6) . . ?
 C32 Dy3 C25 104.5(6) . . ?
 C32 Dy3 C29 94.3(5) . . ?
 C32 Dy3 C31 30.8(5) . . ?
 C32 Dy3 C35 51.3(5) . . ?
 C35 Dy3 P2 97.6(4) . . ?
 C35 Dy3 P3 133.5(4) . . ?
 C35 Dy3 C33 51.2(6) . . ?
 C35 Dy3 C28 129.7(6) . . ?
 C35 Dy3 C34 30.4(6) . . ?
 C35 Dy3 C27 129.9(6) . . ?
 C35 Dy3 C25 83.6(6) . . ?
 C35 Dy3 C29 99.7(5) . . ?
 C35 Dy3 C31 31.3(5) . . ?
 Dy1 P1 Dy2 133.22(18) . . ?
 C37 P1 Dy1 112.6(5) . . ?
 C37 P1 Dy2 114.2(5) . . ?
 Dy2 P2 Dy3 128.65(17) . . ?
 C46 P2 Dy2 115.2(5) . . ?
 C46 P2 Dy3 113.5(5) . . ?
 Dy3 P3 Dy1 134.35(18) . . ?
 C55 P3 Dy1 114.5(5) . . ?
 C55 P3 Dy3 110.7(5) . . ?
 Dy2 C22 H22 119.7 . . ?
 C21 C22 Dy2 74.2(10) . . ?
 C21 C22 H22 125.7 . . ?
 C23 C22 Dy2 72.3(9) . . ?
 C23 C22 H22 125.7 . . ?
 C23 C22 C21 108.7(17) . . ?
 Dy3 C33 H33 115.9 . . ?
 C34 C33 Dy3 75.7(10) . . ?
 C34 C33 H33 126.3 . . ?
 C32 C33 Dy3 74.3(10) . . ?
 C32 C33 H33 126.3 . . ?
 C32 C33 C34 107.3(16) . . ?
 Dy3 C28 H28 114.0 . . ?
 C27 C28 Dy3 74.8(10) . . ?
 C27 C28 H28 125.3 . . ?
 C29 C28 Dy3 78.0(9) . . ?
 C29 C28 H28 125.3 . . ?
 C29 C28 C27 109.5(15) . . ?
 Dy3 C34 H34 119.1 . . ?
 C33 C34 Dy3 73.9(9) . . ?
 C33 C34 H34 125.1 . . ?
 C35 C34 Dy3 73.6(10) . . ?
 C35 C34 C33 109.8(17) . . ?
 C35 C34 H34 125.1 . . ?
 Dy2 C21 H21 116.5 . . ?
 C22 C21 Dy2 75.0(10) . . ?
 C22 C21 H21 127.4 . . ?
 C20 C21 Dy2 73.5(11) . . ?
 C20 C21 C22 105.2(17) . . ?
 C20 C21 H21 127.4 . . ?
 Dy1 C2 H2 115.6 . . ?
 C1 C2 Dy1 74.6(10) . . ?
 C1 C2 H2 126.3 . . ?
 C1 C2 C3 107.5(15) . . ?
 C3 C2 Dy1 75.8(9) . . ?
 C3 C2 H2 126.3 . . ?
 C37 C42 C41 120.9(18) . . ?
 C37 C42 C45 124(2) . . ?
 C41 C42 C45 115(2) . . ?
 C16 C17 Dy2 73.9(10) . . ?
 C16 C17 C18 126.3(18) . . ?
 C13 C17 Dy2 74.8(10) . . ?
 C13 C17 C16 106.0(15) . . ?
 C13 C17 C18 127.2(17) . . ?
 C18 C17 Dy2 122.4(13) . . ?
 Dy2 C16 H16 118.2 . . ?
 C17 C16 Dy2 74.9(10) . . ?
 C17 C16 H16 126.0 . . ?
 C15 C16 Dy2 72.9(10) . . ?
 C15 C16 C17 108.0(15) . . ?
 C15 C16 H16 126.0 . . ?
 Dy3 C26 H26 113.8 . . ?
 C27 C26 Dy3 76.9(10) . . ?
 C27 C26 H26 124.9 . . ?
 C25 C26 Dy3 76.4(10) . . ?
 C25 C26 H26 124.9 . . ?
 C25 C26 C27 110.2(17) . . ?
 Dy2 C14 H14 116.5 . . ?
 C13 C14 Dy2 75.9(9) . . ?
 C13 C14 H14 125.3 . . ?
 C15 C14 Dy2 74.2(9) . . ?
 C15 C14 H14 125.3 . . ?
 C15 C14 C13 109.5(15) . . ?
 Dy1 C4 H4 118.7 . . ?
 C3 C4 Dy1 73.4(9) . . ?
 C3 C4 H4 125.6 . . ?
 C3 C4 C5 108.8(17) . . ?
 C5 C4 Dy1 74.1(10) . . ?
 C5 C4 H4 125.6 . . ?
 Dy3 C27 H27 118.4 . . ?
 C28 C27 Dy3 73.8(9) . . ?
 C28 C27 H27 126.9 . . ?
 C26 C27 Dy3 73.0(10) . . ?
 C26 C27 C28 106.2(15) . . ?
 C26 C27 H27 126.9 . . ?
 Dy1 C1 H1 115.8 . . ?
 C2 C1 Dy1 74.6(10) . . ?
 C2 C1 H1 125.2 . . ?
 C2 C1 C5 109.7(16) . . ?
 C5 C1 Dy1 76.4(10) . . ?
 C5 C1 H1 125.2 . . ?
 Dy2 C19 H19 116.8 . . ?
 C23 C19 Dy2 74.1(10) . . ?
 C23 C19 H19 125.4 . . ?
 C20 C19 Dy2 75.6(10) . . ?
 C20 C19 H19 125.4 . . ?
 C20 C19 C23 109.3(17) . . ?
 Dy1 C3 H3 116.7 . . ?
 C2 C3 Dy1 73.4(9) . . ?
 C2 C3 C4 108.2(15) . . ?
 C2 C3 H3 125.9 . . ?
 C4 C3 Dy1 76.1(9) . . ?
 C4 C3 H3 125.9 . . ?
 Dy3 C25 H25 115.3 . . ?
 C26 C25 Dy3 73.8(10) . . ?
 C26 C25 H25 124.9 . . ?
 C26 C25 C29 110.1(15) . . ?
 C29 C25 Dy3 77.8(10) . . ?
 C29 C25 H25 124.9 . . ?
 C56 C55 P3 121.2(14) . . ?
 C60 C55 P3 120.6(15) . . ?
 C60 C55 C56 118.0(17) . . ?
 Dy2 C13 H13 118.2 . . ?
 C17 C13 Dy2 74.7(9) . . ?
 C17 C13 C14 108.8(14) . . ?
 C17 C13 H13 125.6 . . ?
 C14 C13 Dy2 73.3(9) . . ?
 C14 C13 H13 125.6 . . ?
 C28 C29 Dy3 71.6(9) . . ?
 C28 C29 C25 103.8(14) . . ?
 C28 C29 C30 128.0(17) . . ?
 C25 C29 Dy3 71.2(9) . . ?
 C25 C29 C30 128.2(15) . . ?
 C30 C29 Dy3 123.8(12) . . ?
 Dy2 C15 H15 114.8 . . ?
 C16 C15 Dy2 75.7(10) . . ?
 C16 C15 H15 126.2 . . ?
 C14 C15 Dy2 75.7(10) . . ?
 C14 C15 C16 107.6(15) . . ?
 C14 C15 H15 126.2 . . ?
 C22 C23 Dy2 76.9(9) . . ?
 C22 C23 C24 125.8(18) . . ?
 C19 C23 Dy2 74.8(9) . . ?
 C19 C23 C22 106.3(15) . . ?
 C19 C23 C24 127.7(17) . . ?
 C24 C23 Dy2 118.7(11) . . ?
 C42 C37 P1 120.5(15) . . ?
 C42 C37 C38 118.5(17) . . ?
 C38 C37 P1 120.9(15) . . ?
 C37 C38 C43 125(2) . . ?
 C39 C38 C37 117.7(19) . . ?
 C39 C38 C43 118(2) . . ?
 Dy3 C31 H31 117.3 . . ?
 C32 C31 Dy3 74.4(9) . . ?
 C32 C31 H31 126.0 . . ?
 C32 C31 C35 107.9(16) . . ?
 C35 C31 Dy3 74.3(9) . . ?
 C35 C31 H31 126.0 . . ?
 C51 C50 H50 120.0 . . ?
 C51 C50 C49 120.0(17) . . ?
 C49 C50 H50 120.0 . . ?
 C55 C56 C61 122.6(19) . . ?
 C57 C56 C55 122.3(18) . . ?
 C57 C56 C61 115(2) . . ?
 C49 C48 H48 117.7 . . ?
 C49 C48 C47 124.5(18) . . ?
 C47 C48 H48 117.7 . . ?
 C51 C46 P2 119.0(14) . . ?
 C47 C46 P2 122.1(15) . . ?
 C47 C46 C51 119.0(16) . . ?
 C10 C11 Dy1 74.8(10) . . ?
 C10 C11 C12 126(2) . . ?
 C7 C11 Dy1 73.8(11) . . ?
 C7 C11 C10 105.1(17) . . ?
 C7 C11 C12 129(2) . . ?
 C12 C11 Dy1 117.1(12) . . ?
 C50 C51 C46 120.6(16) . . ?
 C50 C51 C54 118.8(17) . . ?
 C46 C51 C54 120.4(16) . . ?
 H52A C52 H52B 109.5 . . ?
 H52A C52 H52C 109.5 . . ?
 H52B C52 H52C 109.5 . . ?
 C47 C52 H52A 109.5 . . ?
 C47 C52 H52B 109.5 . . ?
 C47 C52 H52C 109.5 . . ?
 C42 C41 H41 118.4 . . ?
 C40 C41 C42 123(2) . . ?
 C40 C41 H41 118.4 . . ?
 Dy1 C10 H10 117.8 . . ?
 C11 C10 Dy1 73.9(10) . . ?
 C11 C10 H10 125.3 . . ?
 C9 C10 Dy1 74.8(11) . . ?
 C9 C10 C11 109.4(17) . . ?
 C9 C10 H10 125.3 . . ?
 C50 C49 C53 118(2) . . ?
 C48 C49 C50 117.7(17) . . ?
 C48 C49 C53 124(2) . . ?
 C56 C57 H57 120.6 . . ?
 C56 C57 C58 119(2) . . ?
 C58 C57 H57 120.6 . . ?
 C48 C47 C52 114.8(17) . . ?
 C46 C47 C48 118.2(18) . . ?
 C46 C47 C52 127.0(17) . . ?
 Dy1 C9 H9 115.9 . . ?
 C10 C9 Dy1 75.1(11) . . ?
 C10 C9 H9 126.5 . . ?
 C10 C9 C8 107.0(18) . . ?
 C8 C9 Dy1 74.8(10) . . ?
 C8 C9 H9 126.5 . . ?
 C4 C5 Dy1 75.3(10) . . ?
 C4 C5 C1 105.9(16) . . ?
 C4 C5 C6 125.9(18) . . ?
 C1 C5 Dy1 72.6(10) . . ?
 C1 C5 C6 127.9(18) . . ?
 C6 C5 Dy1 122.4(12) . . ?
 Dy3 C32 H32 116.4 . . ?
 C33 C32 Dy3 75.1(10) . . ?
 C33 C32 C31 108.5(17) . . ?
 C33 C32 H32 125.8 . . ?
 C31 C32 Dy3 74.7(9) . . ?
 C31 C32 H32 125.8 . . ?
 C34 C35 Dy3 76.0(9) . . ?
 C34 C35 C31 106.4(16) . . ?
 C34 C35 C36 127.9(18) . . ?
 C31 C35 Dy3 74.4(9) . . ?
 C31 C35 C36 125.5(19) . . ?
 C36 C35 Dy3 119.7(12) . . ?
 Dy2 C20 H20 116.4 . . ?
 C21 C20 Dy2 75.8(11) . . ?
 C21 C20 H20 124.8 . . ?
 C19 C20 Dy2 74.9(11) . . ?
 C19 C20 C21 110.5(18) . . ?
 C19 C20 H20 124.8 . . ?
 C41 C40 C39 114.2(19) . . ?
 C41 C40 C44 122(3) . . ?
 C39 C40 C44 123(2) . . ?
 Dy1 C8 H8 118.1 . . ?
 C9 C8 Dy1 74.3(10) . . ?
 C9 C8 H8 126.2 . . ?
 C7 C8 Dy1 73.4(10) . . ?
 C7 C8 C9 107.6(18) . . ?
 C7 C8 H8 126.2 . . ?
 Dy1 C7 H7 114.9 . . ?
 C11 C7 Dy1 75.8(10) . . ?
 C11 C7 H7 124.6 . . ?
 C8 C7 Dy1 76.6(11) . . ?
 C8 C7 C11 110.9(17) . . ?
 C8 C7 H7 124.6 . . ?
 C51 C54 H54A 109.5 . . ?
 C51 C54 H54B 109.5 . . ?
 C51 C54 H54C 109.5 . . ?
 H54A C54 H54B 109.5 . . ?
 H54A C54 H54C 109.5 . . ?
 H54B C54 H54C 109.5 . . ?
 C49 C53 H53A 109.5 . . ?
 C49 C53 H53B 109.5 . . ?
 C49 C53 H53C 109.5 . . ?
 H53A C53 H53B 109.5 . . ?
 H53A C53 H53C 109.5 . . ?
 H53B C53 H53C 109.5 . . ?
 C38 C39 C40 125.3(19) . . ?
 C38 C39 H39 117.3 . . ?
 C40 C39 H39 117.3 . . ?
 C55 C60 C63 116(2) . . ?
 C55 C60 C59 116.4(19) . . ?
 C63 C60 C59 128(2) . . ?
 C56 C61 H61A 109.5 . . ?
 C56 C61 H61B 109.5 . . ?
 C56 C61 H61C 109.5 . . ?
 H61A C61 H61B 109.5 . . ?
 H61A C61 H61C 109.5 . . ?
 H61B C61 H61C 109.5 . . ?
 C60 C63 H63A 109.5 . . ?
 C60 C63 H63B 109.5 . . ?
 C60 C63 H63C 109.5 . . ?
 H63A C63 H63B 109.5 . . ?
 H63A C63 H63C 109.5 . . ?
 H63B C63 H63C 109.5 . . ?
 C38 C43 H43A 109.5 . . ?
 C38 C43 H43B 109.5 . . ?
 C38 C43 H43C 109.5 . . ?
 H43A C43 H43B 109.5 . . ?
 H43A C43 H43C 109.5 . . ?
 H43B C43 H43C 109.5 . . ?
 C64 C65 H65 121.5 . . ?
 C64 C65 C66 117(3) . . ?
 C66 C65 H65 121.5 . . ?
 C65 C64 H64 118.8 . . ?
 C65 C64 C69 122(3) . . ?
 C69 C64 H64 118.8 . . ?
 C66 C67 H67 117.0 . . ?
 C66 C67 C68 126(3) . . ?
 C68 C67 H67 117.0 . . ?
 C65 C66 H66 120.7 . . ?
 C67 C66 C65 119(3) . . ?
 C67 C66 H66 120.7 . . ?
 C29 C30 H30A 109.5 . . ?
 C29 C30 H30B 109.5 . . ?
 C29 C30 H30C 109.5 . . ?
 H30A C30 H30B 109.5 . . ?
 H30A C30 H30C 109.5 . . ?
 H30B C30 H30C 109.5 . . ?
 C5 C6 H6A 109.5 . . ?
 C5 C6 H6B 109.5 . . ?
 C5 C6 H6C 109.5 . . ?
 H6A C6 H6B 109.5 . . ?
 H6A C6 H6C 109.5 . . ?
 H6B C6 H6C 109.5 . . ?
 C35 C36 H36A 109.5 . . ?
 C35 C36 H36B 109.5 . . ?
 C35 C36 H36C 109.5 . . ?
 H36A C36 H36B 109.5 . . ?
 H36A C36 H36C 109.5 . . ?
 H36B C36 H36C 109.5 . . ?
 C42 C45 H45A 109.5 . . ?
 C42 C45 H45B 109.5 . . ?
 C42 C45 H45C 109.5 . . ?
 H45A C45 H45B 109.5 . . ?
 H45A C45 H45C 109.5 . . ?
 H45B C45 H45C 109.5 . . ?
 C57 C58 C62 114(2) . . ?
 C59 C58 C57 120(2) . . ?
 C59 C58 C62 125(3) . . ?
 C60 C59 H59 117.9 . . ?
 C58 C59 C60 124(2) . . ?
 C58 C59 H59 117.9 . . ?
 C40 C44 H44A 109.5 . . ?
 C40 C44 H44B 109.5 . . ?
 C40 C44 H44C 109.5 . . ?
 H44A C44 H44B 109.5 . . ?
 H44A C44 H44C 109.5 . . ?
 H44B C44 H44C 109.5 . . ?
 C23 C24 H24A 109.5 . . ?
 C23 C24 H24B 109.5 . . ?
 C23 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 C11 C12 H12A 109.5 . . ?
 C11 C12 H12B 109.5 . . ?
 C11 C12 H12C 109.5 . . ?
 H12A C12 H12B 109.5 . . ?
 H12A C12 H12C 109.5 . . ?
 H12B C12 H12C 109.5 . . ?
 C17 C18 H18A 109.5 . . ?
 C17 C18 H18B 109.5 . . ?
 C17 C18 H18C 109.5 . . ?
 H18A C18 H18B 109.5 . . ?
 H18A C18 H18C 109.5 . . ?
 H18B C18 H18C 109.5 . . ?
 C64 C69 C70 121(3) . . ?
 C68 C69 C64 119(3) . . ?
 C68 C69 C70 120(3) . . ?
 C69 C70 H70A 109.5 . . ?
 C69 C70 H70B 109.5 . . ?
 C69 C70 H70C 109.5 . . ?
 H70A C70 H70B 109.5 . . ?
 H70A C70 H70C 109.5 . . ?
 H70B C70 H70C 109.5 . . ?
 C67 C68 C69 117(3) . . ?
 C67 C68 H68 121.7 . . ?
 C69 C68 H68 121.7 . . ?
 C58 C62 H62A 109.5 . . ?
 C58 C62 H62B 109.5 . . ?
 C58 C62 H62C 109.5 . . ?
 H62A C62 H62B 109.5 . . ?
 H62A C62 H62C 109.5 . . ?
 H62B C62 H62C 109.5 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Dy1 P1 C37 C42 92.4(13) . . . . ?
 Dy1 P1 C37 C38 -90.6(14) . . . . ?
 Dy1 P3 C55 C56 -87.1(14) . . . . ?
 Dy1 P3 C55 C60 97.9(14) . . . . ?
 Dy1 C2 C1 C5 69.0(13) . . . . ?
 Dy1 C2 C3 C4 -68.8(11) . . . . ?
 Dy1 C4 C3 C2 66.9(11) . . . . ?
 Dy1 C4 C5 C1 -66.6(12) . . . . ?
 Dy1 C4 C5 C6 119.6(18) . . . . ?
 Dy1 C1 C5 C4 68.6(12) . . . . ?
 Dy1 C1 C5 C6 -117.8(18) . . . . ?
 Dy1 C11 C10 C9 67.0(13) . . . . ?
 Dy1 C11 C7 C8 -69.3(14) . . . . ?
 Dy1 C10 C9 C8 68.6(12) . . . . ?
 Dy1 C9 C8 C7 66.4(13) . . . . ?
 Dy1 C8 C7 C11 68.8(14) . . . . ?
 Dy2 P1 C37 C42 -86.2(14) . . . . ?
 Dy2 P1 C37 C38 90.8(14) . . . . ?
 Dy2 P2 C46 C51 80.7(13) . . . . ?
 Dy2 P2 C46 C47 -98.6(13) . . . . ?
 Dy2 C22 C21 C20 67.8(12) . . . . ?
 Dy2 C22 C23 C19 -69.6(11) . . . . ?
 Dy2 C22 C23 C24 116.1(17) . . . . ?
 Dy2 C21 C20 C19 67.5(13) . . . . ?
 Dy2 C17 C16 C15 65.9(12) . . . . ?
 Dy2 C17 C13 C14 -66.0(11) . . . . ?
 Dy2 C16 C15 C14 69.6(12) . . . . ?
 Dy2 C14 C13 C17 66.9(12) . . . . ?
 Dy2 C14 C15 C16 -69.6(12) . . . . ?
 Dy2 C19 C23 C22 71.1(11) . . . . ?
 Dy2 C19 C23 C24 -114.7(18) . . . . ?
 Dy2 C19 C20 C21 -68.1(13) . . . . ?
 Dy3 P2 C46 C51 -82.7(12) . . . . ?
 Dy3 P2 C46 C47 98.1(13) . . . . ?
 Dy3 P3 C55 C56 99.6(13) . . . . ?
 Dy3 P3 C55 C60 -75.5(15) . . . . ?
 Dy3 C33 C34 C35 -65.4(11) . . . . ?
 Dy3 C33 C32 C31 67.9(11) . . . . ?
 Dy3 C28 C27 C26 66.3(12) . . . . ?
 Dy3 C28 C29 C25 -64.4(11) . . . . ?
 Dy3 C28 C29 C30 119.0(18) . . . . ?
 Dy3 C34 C35 C31 -68.8(11) . . . . ?
 Dy3 C34 C35 C36 116.9(18) . . . . ?
 Dy3 C26 C27 C28 -66.9(12) . . . . ?
 Dy3 C26 C25 C29 70.1(12) . . . . ?
 Dy3 C25 C29 C28 64.8(10) . . . . ?
 Dy3 C25 C29 C30 -118.6(18) . . . . ?
 Dy3 C31 C32 C33 -68.2(11) . . . . ?
 Dy3 C31 C35 C34 69.9(11) . . . . ?
 Dy3 C31 C35 C36 -115.6(18) . . . . ?
 P1 C37 C38 C39 -175.7(15) . . . . ?
 P1 C37 C38 C43 4(3) . . . . ?
 P2 C46 C51 C50 179.8(11) . . . . ?
 P2 C46 C51 C54 4(2) . . . . ?
 P2 C46 C47 C48 -179.5(12) . . . . ?
 P2 C46 C47 C52 1(2) . . . . ?
 P3 C55 C56 C57 -177.2(13) . . . . ?
 P3 C55 C56 C61 3(2) . . . . ?
 P3 C55 C60 C63 -5(3) . . . . ?
 P3 C55 C60 C59 178.2(14) . . . . ?
 C22 C21 C20 Dy2 -68.9(12) . . . . ?
 C22 C21 C20 C19 -1(2) . . . . ?
 C33 C34 C35 Dy3 65.6(11) . . . . ?
 C33 C34 C35 C31 -3.2(18) . . . . ?
 C33 C34 C35 C36 -177.5(17) . . . . ?
 C34 C33 C32 Dy3 -69.1(11) . . . . ?
 C34 C33 C32 C31 -1.2(18) . . . . ?
 C21 C22 C23 Dy2 65.8(12) . . . . ?
 C21 C22 C23 C19 -3.9(19) . . . . ?
 C21 C22 C23 C24 -178.1(16) . . . . ?
 C2 C1 C5 Dy1 -67.9(12) . . . . ?
 C2 C1 C5 C4 1(2) . . . . ?
 C2 C1 C5 C6 174.3(17) . . . . ?
 C42 C37 C38 C39 1(3) . . . . ?
 C42 C37 C38 C43 -179.3(18) . . . . ?
 C42 C41 C40 C39 1(3) . . . . ?
 C42 C41 C40 C44 -175(2) . . . . ?
 C17 C16 C15 Dy2 -67.2(12) . . . . ?
 C17 C16 C15 C14 2(2) . . . . ?
 C16 C17 C13 Dy2 67.8(11) . . . . ?
 C16 C17 C13 C14 1.9(18) . . . . ?
 C26 C25 C29 Dy3 -67.5(13) . . . . ?
 C26 C25 C29 C28 -2.7(19) . . . . ?
 C26 C25 C29 C30 173.9(17) . . . . ?
 C27 C28 C29 Dy3 69.0(12) . . . . ?
 C27 C28 C29 C25 4.5(18) . . . . ?
 C27 C28 C29 C30 -172.1(17) . . . . ?
 C27 C26 C25 Dy3 -70.3(13) . . . . ?
 C27 C26 C25 C29 0(2) . . . . ?
 C1 C2 C3 Dy1 68.5(12) . . . . ?
 C1 C2 C3 C4 -0.3(19) . . . . ?
 C3 C2 C1 Dy1 -69.3(12) . . . . ?
 C3 C2 C1 C5 0(2) . . . . ?
 C3 C4 C5 Dy1 65.8(11) . . . . ?
 C3 C4 C5 C1 -0.9(19) . . . . ?
 C3 C4 C5 C6 -174.6(17) . . . . ?
 C25 C26 C27 Dy3 69.9(13) . . . . ?
 C25 C26 C27 C28 3(2) . . . . ?
 C55 C56 C57 C58 1(3) . . . . ?
 C55 C60 C59 C58 -4(3) . . . . ?
 C13 C17 C16 Dy2 -68.4(11) . . . . ?
 C13 C17 C16 C15 -2.6(19) . . . . ?
 C13 C14 C15 Dy2 68.4(12) . . . . ?
 C13 C14 C15 C16 -1.2(19) . . . . ?
 C29 C28 C27 Dy3 -71.1(12) . . . . ?
 C29 C28 C27 C26 -4.8(19) . . . . ?
 C15 C14 C13 Dy2 -67.3(12) . . . . ?
 C15 C14 C13 C17 -0.4(19) . . . . ?
 C23 C22 C21 Dy2 -64.6(12) . . . . ?
 C23 C22 C21 C20 3.2(19) . . . . ?
 C23 C19 C20 Dy2 67.1(12) . . . . ?
 C23 C19 C20 C21 -1(2) . . . . ?
 C37 C42 C41 C40 -3(3) . . . . ?
 C37 C38 C39 C40 -4(3) . . . . ?
 C56 C55 C60 C63 179.7(18) . . . . ?
 C56 C55 C60 C59 3(3) . . . . ?
 C56 C57 C58 C59 -2(3) . . . . ?
 C56 C57 C58 C62 -180(2) . . . . ?
 C11 C10 C9 Dy1 -66.4(13) . . . . ?
 C11 C10 C9 C8 2(2) . . . . ?
 C51 C50 C49 C48 2(2) . . . . ?
 C51 C50 C49 C53 178.4(16) . . . . ?
 C51 C46 C47 C48 1(2) . . . . ?
 C51 C46 C47 C52 -178.1(14) . . . . ?
 C41 C42 C37 P1 179.1(15) . . . . ?
 C41 C42 C37 C38 2(3) . . . . ?
 C41 C40 C39 C38 3(3) . . . . ?
 C10 C11 C7 Dy1 68.9(12) . . . . ?
 C10 C11 C7 C8 0(2) . . . . ?
 C10 C9 C8 Dy1 -68.8(13) . . . . ?
 C10 C9 C8 C7 -2(2) . . . . ?
 C49 C50 C51 C46 -1(2) . . . . ?
 C49 C50 C51 C54 174.9(15) . . . . ?
 C49 C48 C47 C46 0(3) . . . . ?
 C49 C48 C47 C52 179.2(16) . . . . ?
 C57 C58 C59 C60 3(4) . . . . ?
 C47 C48 C49 C50 -1(3) . . . . ?
 C47 C48 C49 C53 -177.8(18) . . . . ?
 C47 C46 C51 C50 -1(2) . . . . ?
 C47 C46 C51 C54 -176.3(15) . . . . ?
 C9 C8 C7 Dy1 -67.0(13) . . . . ?
 C9 C8 C7 C11 2(2) . . . . ?
 C5 C4 C3 Dy1 -66.2(12) . . . . ?
 C5 C4 C3 C2 0.7(19) . . . . ?
 C32 C33 C34 Dy3 68.1(11) . . . . ?
 C32 C33 C34 C35 2.8(18) . . . . ?
 C32 C31 C35 Dy3 -67.4(11) . . . . ?
 C32 C31 C35 C34 2.5(17) . . . . ?
 C32 C31 C35 C36 176.9(17) . . . . ?
 C35 C31 C32 Dy3 67.3(11) . . . . ?
 C35 C31 C32 C33 -0.8(18) . . . . ?
 C20 C19 C23 Dy2 -68.1(13) . . . . ?
 C20 C19 C23 C22 3.0(19) . . . . ?
 C20 C19 C23 C24 177.1(17) . . . . ?
 C7 C11 C10 Dy1 -68.1(12) . . . . ?
 C7 C11 C10 C9 -1(2) . . . . ?
 C60 C55 C56 C57 -2(3) . . . . ?
 C60 C55 C56 C61 177.8(18) . . . . ?
 C61 C56 C57 C58 -178.5(19) . . . . ?
 C63 C60 C59 C58 -180(2) . . . . ?
 C43 C38 C39 C40 177(2) . . . . ?
 C65 C64 C69 C70 -177(3) . . . . ?
 C65 C64 C69 C68 -4(4) . . . . ?
 C64 C65 C66 C67 5(5) . . . . ?
 C64 C69 C68 C67 2(4) . . . . ?
 C66 C65 C64 C69 0(5) . . . . ?
 C66 C67 C68 C69 4(5) . . . . ?
 C45 C42 C37 P1 -1(2) . . . . ?
 C45 C42 C37 C38 -178.4(18) . . . . ?
 C45 C42 C41 C40 177(2) . . . . ?
 C44 C40 C39 C38 179(2) . . . . ?
 C12 C11 C10 Dy1 112.7(18) . . . . ?
 C12 C11 C10 C9 179.8(17) . . . . ?
 C12 C11 C7 Dy1 -112.0(19) . . . . ?
 C12 C11 C7 C8 178.6(17) . . . . ?
 C18 C17 C16 Dy2 118.6(19) . . . . ?
 C18 C17 C16 C15 -175.5(18) . . . . ?
 C18 C17 C13 Dy2 -119.3(19) . . . . ?
 C18 C17 C13 C14 174.7(18) . . . . ?
 C70 C69 C68 C67 175(3) . . . . ?
 C68 C67 C66 C65 -8(6) . . . . ?
 C62 C58 C59 C60 -179(2) . . . . ?

#\#CIF_1.1
 
#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 2014-04-03 at 14:20:53
#  Using CIFtbx version 3.0.4  1 Sep 2006
 
#  Dictionary name : cif_core.dic
#  Dictionary vers : 2.4.3
#  Request file    : c:\wingx\files\archive.reqdat
#  CIF files read  : 3
 
#------------------ SECTION 1. GLOBAL INFORMATION ---------------------------#
 
data_global
 
#------------------ AUDIT DETAILS -------------------------------------------#
 
_audit_creation_date            2014-04-03
_audit_creation_method          'WinGX routine CIF_UPDATE'
_audit_conform_dict_name        cif_core.dic
_audit_conform_dict_version     2.4
_audit_conform_dict_location    ftp://ftp.iucr.org/pub/cif_core.dic
_audit_update_record            ?
 
#==============================================================================
#
# SUBMISSION DETAILS
# Name and address of author for correspondence
 
_publ_contact_author_name       ''
_publ_contact_author_address
;
 
;
_publ_contact_author_email       ''
_publ_contact_author_fax         ' '
_publ_contact_author_phone       ' '
 
 
_publ_contact_letter
;
 Submission dated :2014-04-03
 
Please consider this CIF for submission to the Cambridge Crystallographic
Data Centre. I certify that all authors have seen and approved of this
submission, that all have made significant scientific contributions to the
work reported, and that all share responsibility and accountability for
the results.
 
This CIF  is submitted as a personal communication
 
This CIF is submitted as part of a journal submission
<Insert Journal details here>
 
<Insert NAME here>
;
 
 
#==============================================================================
#
# TITLE AND AUTHOR LIST
 
_publ_section_title
; ?
;
_publ_section_title_footnote
; ?
;
 
# The loop structure below should contain the names and addresses of all
# authors, in the required order of publication. Repeat as necessary.
 
loop_
 _publ_author_name
 _publ_author_footnote
 _publ_author_address
?
?
;?
;
 
#------------------  SECTION 2. COMPOUND(S) DETAILS -------------------------#
 
data_3
 
_audit_creation_date                    2014-04-03T14:20:53-00:00
_audit_creation_method                  'WinGX routine CIF_UPDATE'
 
#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#
 
_chemical_name_systematic
;
 ?
;
_chemical_formula_sum                   'C194 H286 Dy6 Li1 O17 P6' 
_chemical_formula_weight                4092.70
 
#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#
 
_symmetry_cell_setting                  monoclinic
_symmetry_space_group_name_H-M          'P 21/c'
_symmetry_space_group_name_Hall         '-P 2ybc'
_symmetry_Int_Tables_number             14
loop_
    _symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
 
_cell_length_a                          22.3210(5)
_cell_length_b                          15.7702(3)
_cell_length_c                          27.9921(7)
_cell_angle_alpha                       90
_cell_angle_beta                        95.319(2)
_cell_angle_gamma                       90
_cell_volume                            9811.0(4)
_cell_formula_units_Z                   2
_cell_measurement_temperature           100(2)
_cell_measurement_reflns_used           11131
_cell_measurement_theta_min             3.251
_cell_measurement_theta_max             27.78
 
#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#
 
_exptl_crystal_description		'block'
_exptl_crystal_size_max                 0.5692
_exptl_crystal_size_mid                 0.3365
_exptl_crystal_size_min                 0.1924
_exptl_crystal_density_diffrn           1.385
_exptl_crystal_F_000                    4180
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
31 -2 1 0.1081
-30 -6 -3 0.0814
-8 -18 -20 0.1364
-10 -18 20 0.1534
-3 -2 39 0.171
9 14 -29 0.1414
-3 -22 -7 0.1554
-30 -4 -3 0.0824
31 -4 0 0.111
-6 -21 -7 0.1584
31 -1 1 0.1137
-30 -4 -3 0.0852
-10 -19 18 0.1495
-7 -17 -23 0.1365
9 14 -29 0.1346
-4 -3 39 0.169
-10 -19 18 0.1495
-7 -18 -21 0.1546
8 13 -31 0.14
-5 -5 39 0.1541
-10 -19 18 0.1508
-8 -18 -20 0.1416
9 15 -28 0.1346
-3 -1 39 0.1692
6 -22 -7 0.1307
-31 -4 -3 0.0697
31 0 2 0.1032
-6 -21 -7 0.1582
31 -2 1 0.0823
-31 -4 -3 0.0726
0 -22 -7 0.1493
31 -1 1 0.1083
7 21 7 0.3455
-31 -1 -2 0.0743
-3 -22 -7 0.1547
-31 -3 -3 0.0704
7 21 7 0.3432
30 -6 0 0.1086
 
_exptl_special_details
;
 ?
;
 
#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#
 
_exptl_absorpt_coefficient_mu           2.361
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min         0.99442
_exptl_absorpt_correction_T_max         1
 
#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#
 
_diffrn_ambient_temperature             100(2)
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_type                  MoK\a
_diffrn_radiation_monochromator         mirror
_diffrn_detector_area_resol_mean        8.0714
_diffrn_orient_matrix_ub_11             -0.0216834
_diffrn_orient_matrix_ub_12             0.0044217
_diffrn_orient_matrix_ub_13             0.0168342
_diffrn_orient_matrix_ub_21             -0.020988
_diffrn_orient_matrix_ub_22             0.0161251
_diffrn_orient_matrix_ub_23             -0.0183177
_diffrn_orient_matrix_ub_31             -0.0104038
_diffrn_orient_matrix_ub_32             -0.0417607
_diffrn_orient_matrix_ub_33             -0.0053125
_diffrn_measurement_device_type
                                      'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method              'ω scans'
_diffrn_reflns_av_R_equivalents         0.0331
_diffrn_reflns_av_unetI/netI            0.0688
_diffrn_reflns_number                   29590
_diffrn_reflns_limit_h_min              -26
_diffrn_reflns_limit_h_max              14
_diffrn_reflns_limit_k_min              -16
_diffrn_reflns_limit_k_max              19
_diffrn_reflns_limit_l_min              -33
_diffrn_reflns_limit_l_max              31
_diffrn_reflns_theta_min                3.144
_diffrn_reflns_theta_max                25.35
_diffrn_reflns_theta_full               25.242
_diffrn_measured_fraction_theta_full
                                        0.993
_diffrn_measured_fraction_theta_max
                                        0.992
_diffrn_reflns_Laue_measured_fraction_full
                                        0.993
_diffrn_reflns_Laue_measured_fraction_max
                                        0.992
_diffrn_reflns_point_group_measured_fraction_full
                                        0.993
_diffrn_reflns_point_group_measured_fraction_max
                                        0.992
_reflns_number_total                    17805
_reflns_number_gt                       14232
_reflns_threshold_expression            'I > 2σ(I)'
 
#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#
 
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
;
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
;
_computing_structure_refinement         'SHELXL-2012 (Sheldrick, 2012)'
 
#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#
 
_atom_sites_solution_hydrogens          geom
 
#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#
 
_refine_special_details
;
Owing to the large degree of disorder within the compound the use of 
constraints and restraints including RIGU, ISOR, DFIX and EADP was 
deemed neccessary in order to achieve a good model.
;
_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0465P)²+6.6794P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_hydrogen_treatment           constr
_refine_ls_extinction_method            none
_refine_ls_number_reflns                17805
_refine_ls_number_parameters            1137
_refine_ls_number_restraints            6
_refine_ls_R_factor_all                 0.0592
_refine_ls_R_factor_gt                  0.0433
_refine_ls_wR_factor_ref                0.1099
_refine_ls_wR_factor_gt                 0.0997
_refine_ls_goodness_of_fit_ref          1.031
_refine_ls_restrained_S_all             1.031
_refine_ls_shift/su_max                 0.003
_refine_ls_shift/su_mean                0
_refine_diff_density_max                1.44
_refine_diff_density_min                -1.378
_refine_diff_density_rms                0.115
 
#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#
 
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
loop_
    _atom_site_label
    _atom_site_type_symbol
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_occupancy
    _atom_site_calc_flag
    _atom_site_disorder_assembly
    _atom_site_disorder_group
Dy1 Dy 0.62616(2) 0.65920(2) 0.62463(2) 0.02739(8) Uani 1 d . .
Dy2 Dy 0.75185(2) 0.72893(2) 0.48523(2) 0.02947(8) Uani 1 d . .
Dy3 Dy 0.82872(2) 0.81599(2) 0.65620(2) 0.02830(8) Uani 1 d . .
P1 P 0.64647(7) 0.70621(9) 0.53079(5) 0.0285(3) Uani 1 d . .
P2 P 0.80508(7) 0.83826(9) 0.55702(5) 0.0302(3) Uani 1 d . .
P3 P 0.70812(7) 0.77945(9) 0.66478(5) 0.0277(3) Uani 1 d . .
C1 C 0.6486(3) 0.4940(3) 0.5992(2) 0.0376(14) Uani 1 d . .
C2 C 0.6145(3) 0.4886(3) 0.6387(2) 0.0419(15) Uani 1 d . .
H1 H 0.5756 0.4672 0.6383 0.05 Uiso 1 calc . .
C3 C 0.6492(3) 0.5213(4) 0.6791(2) 0.0415(15) Uani 1 d . .
H2 H 0.6369 0.526 0.7099 0.05 Uiso 1 calc . .
C4 C 0.7052(3) 0.5456(3) 0.6652(2) 0.0342(13) Uani 1 d . .
H3 H 0.7371 0.5676 0.6851 0.041 Uiso 1 calc . .
C5 C 0.7047(3) 0.5308(3) 0.61568(19) 0.0311(13) Uani 1 d . .
H4 H 0.7359 0.543 0.5969 0.037 Uiso 1 calc . .
C6 C 0.6295(3) 0.4600(4) 0.5500(2) 0.0510(17) Uani 1 d . .
H5 H 0.651 0.4085 0.5449 0.076 Uiso 1 calc . .
H6 H 0.6381 0.5011 0.5263 0.076 Uiso 1 calc . .
H7 H 0.587 0.4486 0.5473 0.076 Uiso 1 calc . .
C7 C 0.5060(3) 0.6562(4) 0.6145(3) 0.0455(16) Uani 1 d . .
C8 C 0.5209(3) 0.7427(4) 0.6075(2) 0.0410(15) Uani 1 d . .
H8 H 0.5145 0.7725 0.5788 0.049 Uiso 1 calc . .
C9 C 0.5465(3) 0.7752(4) 0.6507(2) 0.0459(16) Uani 1 d . .
H9 H 0.5603 0.8304 0.656 0.055 Uiso 1 calc . .
C10 C 0.5479(3) 0.7105(4) 0.6851(2) 0.0512(17) Uani 1 d . .
H10 H 0.5633 0.7153 0.717 0.061 Uiso 1 calc . .
C11 C 0.5228(3) 0.6384(4) 0.6636(2) 0.0454(16) Uani 1 d . .
H11 H 0.5177 0.5868 0.6788 0.054 Uiso 1 calc . .
C12 C 0.4779(3) 0.5985(4) 0.5767(3) 0.063(2) Uani 1 d . .
H12 H 0.4368 0.588 0.5824 0.094 Uiso 1 calc . .
H13 H 0.4995 0.5458 0.5776 0.094 Uiso 1 calc . .
H14 H 0.4792 0.6244 0.5458 0.094 Uiso 1 calc . .
C13 C 0.7773(3) 0.5701(4) 0.4508(2) 0.0528(18) Uani 1 d . .
C14 C 0.7668(3) 0.5593(4) 0.4991(2) 0.0427(15) Uani 1 d . .
H15 H 0.7345 0.5306 0.5103 0.051 Uiso 1 calc . .
C15 C 0.8131(3) 0.5990(3) 0.5273(2) 0.0397(15) Uani 1 d . .
H16 H 0.8173 0.6013 0.5607 0.048 Uiso 1 calc . .
C16 C 0.8527(3) 0.6354(4) 0.4964(3) 0.0501(17) Uani 1 d . .
H17 H 0.8875 0.6661 0.5055 0.06 Uiso 1 calc . .
C17 C 0.8294(4) 0.6164(4) 0.4496(3) 0.060(2) Uani 1 d . .
H18 H 0.8465 0.6324 0.4219 0.072 Uiso 1 calc . .
C18 C 0.7380(5) 0.5309(5) 0.4085(3) 0.093(3) Uani 1 d . .
H19 H 0.7405 0.5651 0.3804 0.14 Uiso 1 calc . .
H20 H 0.6969 0.5286 0.4161 0.14 Uiso 1 calc . .
H21 H 0.7519 0.4746 0.4026 0.14 Uiso 1 calc . .
C19 C 0.7752(3) 0.8136(5) 0.4056(2) 0.056(2) Uani 1 d . .
C20 C 0.7460(4) 0.8722(4) 0.4334(2) 0.057(2) Uani 1 d . .
H22 H 0.7637 0.9203 0.4479 0.068 Uiso 1 calc . .
C21 C 0.6866(3) 0.8472(4) 0.4360(2) 0.0477(17) Uani 1 d . .
H23 H 0.6577 0.8752 0.4519 0.057 Uiso 1 calc . .
C22 C 0.6789(3) 0.7730(4) 0.4104(2) 0.0433(16) Uani 1 d . .
H24 H 0.6433 0.742 0.4065 0.052 Uiso 1 calc . .
C23 C 0.7323(3) 0.7513(4) 0.39126(19) 0.0423(15) Uani 1 d . .
H25 H 0.7384 0.7041 0.3724 0.051 Uiso 1 calc . .
C24 C 0.8383(4) 0.8179(7) 0.3915(3) 0.102(4) Uani 1 d . .
H26 H 0.8548 0.7618 0.3908 0.152 Uiso 1 calc . .
H27 H 0.8625 0.8517 0.4143 0.152 Uiso 1 calc . .
H28 H 0.8381 0.8431 0.3602 0.152 Uiso 1 calc . .
C25 C 0.8522(3) 0.9173(4) 0.7333(2) 0.0479(17) Uani 1 d . .
C26 C 0.8044(3) 0.9565(4) 0.7049(2) 0.0485(17) Uani 1 d . .
H29 H 0.7654 0.9624 0.7136 0.058 Uiso 1 calc . .
C27 C 0.8243(4) 0.9847(4) 0.6622(2) 0.056(2) Uani 1 d . .
H30 H 0.8012 1.0127 0.6377 0.068 Uiso 1 calc . .
C28 C 0.8844(4) 0.9640(4) 0.6624(3) 0.060(2) Uani 1 d . .
H31 H 0.9087 0.9747 0.6379 0.072 Uiso 1 calc . .
C29 C 0.9022(3) 0.9241(4) 0.7061(3) 0.0570(19) Uani 1 d . .
H32 H 0.9408 0.905 0.7157 0.068 Uiso 1 calc . .
C30 C 0.8494(4) 0.8782(5) 0.7818(2) 0.073(2) Uani 1 d . .
H33 H 0.8233 0.9113 0.7999 0.11 Uiso 1 calc . .
H34 H 0.889 0.8768 0.7983 0.11 Uiso 1 calc . .
H35 H 0.8339 0.8215 0.7782 0.11 Uiso 1 calc . .
C31 C 0.9365(3) 0.7307(4) 0.6632(2) 0.0448(16) Uani 1 d . .
C32 C 0.9144(3) 0.7214(4) 0.7081(2) 0.0456(16) Uani 1 d . .
H36 H 0.932 0.7444 0.7366 0.055 Uiso 1 calc . .
C33 C 0.8621(3) 0.6725(4) 0.7039(2) 0.0458(16) Uani 1 d . .
H37 H 0.8386 0.658 0.7284 0.055 Uiso 1 calc . .
C34 C 0.8517(3) 0.6491(4) 0.6551(2) 0.0416(15) Uani 1 d . .
H38 H 0.8201 0.6158 0.6416 0.05 Uiso 1 calc . .
C35 C 0.8973(3) 0.6846(4) 0.6309(2) 0.0405(15) Uani 1 d . .
H39 H 0.9011 0.6787 0.5982 0.049 Uiso 1 calc . .
C36 C 0.9933(3) 0.7754(5) 0.6514(3) 0.067(2) Uani 1 d . .
H40 H 1.0175 0.7889 0.6805 0.1 Uiso 1 calc . .
H41 H 0.9828 0.8267 0.6341 0.1 Uiso 1 calc . .
H42 H 1.0155 0.739 0.632 0.1 Uiso 1 calc . .
C37 C 0.5786(2) 0.7521(3) 0.49713(19) 0.0310(13) Uani 1 d . .
C38 C 0.5434(3) 0.7018(4) 0.4635(2) 0.0367(14) Uani 1 d . .
C39 C 0.4903(3) 0.7349(4) 0.4397(2) 0.0435(16) Uani 1 d . .
H43 H 0.4681 0.7009 0.4174 0.052 Uiso 1 calc . .
C40 C 0.4698(3) 0.8150(4) 0.4477(2) 0.0485(17) Uani 1 d . .
C41 C 0.5045(3) 0.8641(4) 0.4800(2) 0.0431(16) Uani 1 d . .
H44 H 0.4917 0.919 0.4858 0.052 Uiso 1 calc . .
C42 C 0.5578(3) 0.8356(3) 0.5046(2) 0.0356(14) Uani 1 d . .
C43 C 0.5613(3) 0.6127(4) 0.4529(2) 0.0482(17) Uani 1 d . .
H45 H 0.5569 0.5776 0.4804 0.072 Uiso 1 calc . .
H46 H 0.6024 0.6119 0.4455 0.072 Uiso 1 calc . .
H47 H 0.5359 0.5916 0.4259 0.072 Uiso 1 calc . .
C44 C 0.4112(3) 0.8483(5) 0.4220(3) 0.071(2) Uani 1 d . .
H48 H 0.3854 0.8681 0.4453 0.107 Uiso 1 calc . .
H49 H 0.3914 0.8036 0.4034 0.107 Uiso 1 calc . .
H50 H 0.4198 0.8942 0.4012 0.107 Uiso 1 calc . .
C45 C 0.5915(3) 0.8935(4) 0.5395(2) 0.0484(17) Uani 1 d . .
H51 H 0.5684 0.944 0.5431 0.073 Uiso 1 calc . .
H52 H 0.6294 0.9082 0.528 0.073 Uiso 1 calc . .
H53 H 0.5986 0.8656 0.57 0.073 Uiso 1 calc . .
C46 C 0.8316(2) 0.9385(3) 0.53201(18) 0.0275(12) Uani 1 d . .
C47 C 0.7967(2) 1.0132(3) 0.52619(18) 0.0303(12) Uani 1 d . .
C48 C 0.8174(3) 1.0835(4) 0.50286(19) 0.0357(14) Uani 1 d . .
H54 H 0.7933 1.1317 0.4999 0.043 Uiso 1 calc . .
C49 C 0.8722(3) 1.0846(3) 0.4840(2) 0.0359(14) Uani 1 d . .
C50 C 0.9081(3) 1.0122(3) 0.49049(19) 0.0347(13) Uani 1 d . .
H55 H 0.9457 1.0116 0.4786 0.042 Uiso 1 calc . .
C51 C 0.8890(2) 0.9410(3) 0.51433(18) 0.0280(12) Uani 1 d . .
C52 C 0.7343(3) 1.0167(4) 0.5421(2) 0.0426(15) Uani 1 d . .
H56 H 0.722 1.0748 0.5444 0.064 Uiso 1 calc . .
H57 H 0.7339 0.9899 0.5729 0.064 Uiso 1 calc . .
H58 H 0.7069 0.9877 0.5191 0.064 Uiso 1 calc . .
C53 C 0.8940(3) 1.1604(4) 0.4582(2) 0.0538(19) Uani 1 d . .
H59 H 0.8601 1.1906 0.4429 0.081 Uiso 1 calc . .
H60 H 0.9195 1.1421 0.4344 0.081 Uiso 1 calc . .
H61 H 0.9162 1.197 0.4808 0.081 Uiso 1 calc . .
C54 C 0.9300(3) 0.8657(4) 0.5189(2) 0.0432(15) Uani 1 d . .
H62 H 0.9114 0.819 0.5011 0.065 Uiso 1 calc . .
H63 H 0.9374 0.8502 0.552 0.065 Uiso 1 calc . .
H64 H 0.9673 0.8795 0.5063 0.065 Uiso 1 calc . .
C55 C 0.6741(2) 0.8394(3) 0.71205(18) 0.0293(12) Uani 1 d . .
C56 C 0.6695(3) 0.8006(4) 0.7570(2) 0.0344(13) Uani 1 d . .
C57 C 0.6417(3) 0.8429(4) 0.7926(2) 0.0463(17) Uani 1 d . .
H65 H 0.6386 0.8158 0.8217 0.056 Uiso 1 calc . .
C58 C 0.6183(3) 0.9242(5) 0.7860(2) 0.058(2) Uani 1 d . .
C59 C 0.6248(3) 0.9626(4) 0.7426(2) 0.0473(17) Uani 1 d . .
H66 H 0.6108 1.0177 0.7378 0.057 Uiso 1 calc . .
C60 C 0.6510(3) 0.9230(4) 0.70570(19) 0.0349(14) Uani 1 d . .
C61 C 0.6944(3) 0.7136(4) 0.7674(2) 0.0411(15) Uani 1 d . .
H67 H 0.6916 0.7003 0.8006 0.062 Uiso 1 calc . .
H68 H 0.7358 0.7118 0.7607 0.062 Uiso 1 calc . .
H69 H 0.6717 0.6729 0.7477 0.062 Uiso 1 calc . .
C62 C 0.5872(4) 0.9681(6) 0.8261(3) 0.098(4) Uani 1 d . .
H70 H 0.5955 1.0278 0.8256 0.147 Uiso 1 calc . .
H71 H 0.6022 0.9449 0.8566 0.147 Uiso 1 calc . .
H72 H 0.5446 0.959 0.821 0.147 Uiso 1 calc . .
C63 C 0.6544(3) 0.9719(3) 0.6598(2) 0.0418(15) Uani 1 d . .
H73 H 0.6222 0.9546 0.6368 0.063 Uiso 1 calc . .
H74 H 0.6923 0.9607 0.6473 0.063 Uiso 1 calc . .
H75 H 0.651 1.0314 0.6661 0.063 Uiso 1 calc . .
Li1 Li 0.7009(4) 0.8245(5) 0.5799(3) 0.032(2) Uani 1 d . .
Li2 Li 0.0875(6) 0.6892(7) 0.3997(4) 0.052(3) Uani 1 d . .
O1 O 0.0375(2) 0.7856(3) 0.38134(15) 0.0510(12) Uani 1 d . .
C64 C -0.0001(4) 0.7949(6) 0.3372(3) 0.077(3) Uani 1 d . .
H76 H -0.0364 0.7613 0.3379 0.093 Uiso 1 calc . .
H77 H 0.0211 0.7764 0.3103 0.093 Uiso 1 calc . .
C65 C -0.0153(4) 0.8878(5) 0.3327(3) 0.077(3) Uani 1 d . .
H78 H 0.0133 0.9174 0.3147 0.092 Uiso 1 calc . .
H79 H -0.0555 0.8959 0.3171 0.092 Uiso 1 calc . .
C66 C -0.0113(3) 0.9180(5) 0.3836(3) 0.063(2) Uani 1 d . .
H80 H -0.0487 0.9082 0.3978 0.076 Uiso 1 calc . .
H81 H -0.0014 0.9778 0.3857 0.076 Uiso 1 calc . .
C67 C 0.0385(3) 0.8651(4) 0.4074(2) 0.0530(18) Uani 1 d . .
H82 H 0.0769 0.8933 0.4061 0.064 Uiso 1 calc . .
H83 H 0.0321 0.8552 0.4408 0.064 Uiso 1 calc . .
O2 O 0.0727(2) 0.6504(3) 0.46229(16) 0.0522(12) Uani 1 d . .
C68 C 0.0152(3) 0.6429(5) 0.4803(3) 0.066(2) Uani 1 d . .
H84 H -0.008 0.5983 0.4634 0.079 Uiso 1 calc . .
H85 H -0.0069 0.6957 0.4758 0.079 Uiso 1 calc . .
C69 C 0.0249(4) 0.6227(5) 0.5313(3) 0.075(2) Uani 1 d . .
H86 H -0.0032 0.5796 0.5399 0.091 Uiso 1 calc . .
H87 H 0.0201 0.6728 0.5507 0.091 Uiso 1 calc . .
C70 C 0.0874(5) 0.5910(6) 0.5382(3) 0.094(3) Uani 1 d . .
H88 H 0.0876 0.5311 0.5461 0.113 Uiso 1 calc . .
H89 H 0.1096 0.6212 0.5644 0.113 Uiso 1 calc . .
C71 C 0.1160(4) 0.6048(6) 0.4929(3) 0.086(3) Uani 1 d . .
H90 H 0.1528 0.6374 0.4989 0.103 Uiso 1 calc . .
H91 H 0.1255 0.551 0.4785 0.103 Uiso 1 calc . .
O3 O 0.1698(2) 0.7172(3) 0.39598(19) 0.0582(13) Uani 1 d . .
C72 C 0.2180(4) 0.6555(6) 0.3976(4) 0.102(4) Uani 1 d . .
H92 H 0.2026 0.5999 0.3881 0.122 Uiso 1 calc . .
H93 H 0.2386 0.6519 0.4296 0.122 Uiso 1 calc . .
C73 C 0.2593(4) 0.6878(5) 0.3628(4) 0.096(3) Uani 1 d . .
H94 H 0.3006 0.6714 0.3725 0.115 Uiso 1 calc . .
H95 H 0.2479 0.666 0.3309 0.115 Uiso 1 calc . .
C74 C 0.2526(4) 0.7809(5) 0.3640(4) 0.084(3) Uani 1 d . .
H96 H 0.2582 0.8054 0.3329 0.101 Uiso 1 calc . .
H97 H 0.2815 0.8058 0.3879 0.101 Uiso 1 calc . .
C75 C 0.1893(3) 0.7950(4) 0.3767(3) 0.0526(18) Uani 1 d . .
H98 H 0.1885 0.84 0.4003 0.063 Uiso 1 calc . .
H99 H 0.1633 0.8107 0.3484 0.063 Uiso 1 calc . .
O4 O 0.0748(9) 0.5970(11) 0.3563(7) 0.054(4) Uani 0.629(19) d A 1
C76 C 0.0279(4) 0.5351(5) 0.3535(3) 0.069(2) Uani 0.629(19) d A 1
H100 H -0.0098 0.5616 0.3597 0.082 Uiso 0.629(19) calc A 1
H101 H 0.0371 0.4914 0.3773 0.082 Uiso 0.629(19) calc A 1
C77 C 0.0225(3) 0.4962(4) 0.3034(3) 0.064(2) Uani 0.629(19) d A 1
H102 H 0.0353 0.4374 0.3045 0.076 Uiso 0.629(19) calc A 1
H103 H -0.0186 0.4992 0.2889 0.076 Uiso 0.629(19) calc A 1
C78 C 0.0635(4) 0.5491(6) 0.2759(3) 0.080(3) Uani 0.629(19) d A 1
H104 H 0.0837 0.5144 0.2537 0.096 Uiso 0.629(19) calc A 1
H105 H 0.0411 0.5934 0.258 0.096 Uiso 0.629(19) calc A 1
C79 C 0.1076(6) 0.5863(8) 0.3132(4) 0.045(4) Uani 0.629(19) d A 1
H106 H 0.1417 0.5486 0.3199 0.054 Uiso 0.629(19) calc A 1
H107 H 0.1221 0.6405 0.3027 0.054 Uiso 0.629(19) calc A 1
O4A O 0.0554(18) 0.6145(17) 0.3446(10) 0.063(9) Uani 0.371(19) d A 2
C76A C 0.0279(4) 0.5351(5) 0.3535(3) 0.069(2) Uani 0.371(19) d A 2
H108 H -0.0112 0.5427 0.3653 0.082 Uiso 0.371(19) calc A 2
H109 H 0.0532 0.501 0.376 0.082 Uiso 0.371(19) calc A 2
C77A C 0.0225(3) 0.4962(4) 0.3034(3) 0.064(2) Uani 0.371(19) d A 2
H110 H 0.0353 0.4374 0.3045 0.076 Uiso 0.371(19) calc A 2
H111 H -0.0186 0.4992 0.2889 0.076 Uiso 0.371(19) calc A 2
C78A C 0.0635(4) 0.5491(6) 0.2759(3) 0.080(3) Uani 0.371(19) d A 2
H112 H 0.1032 0.5239 0.277 0.096 Uiso 0.371(19) calc A 2
H113 H 0.0475 0.5548 0.2427 0.096 Uiso 0.371(19) calc A 2
C79A C 0.0658(13) 0.6233(13) 0.2975(7) 0.059(8) Uani 0.371(19) d A 2
H114 H 0.0358 0.6608 0.2815 0.071 Uiso 0.371(19) calc A 2
H115 H 0.1051 0.6486 0.2954 0.071 Uiso 0.371(19) calc A 2
Li3 Li 0.3503(6) 0.8717(8) 0.6624(4) 0.061(3) Uani 1 d . .
O5 O 0.3457(2) 0.8022(3) 0.60634(17) 0.0613(13) Uani 1 d . .
C80 C 0.3353(5) 0.7142(5) 0.6053(3) 0.087(3) Uani 1 d . .
H116 H 0.3079 0.6978 0.6286 0.104 Uiso 1 calc . .
H117 H 0.3726 0.6829 0.6116 0.104 Uiso 1 calc . .
C81 C 0.3072(6) 0.6993(7) 0.5538(4) 0.112(4) Uani 1 d . .
H118 H 0.3116 0.6407 0.5442 0.135 Uiso 1 calc . .
H119 H 0.2649 0.7143 0.5505 0.135 Uiso 1 calc . .
C82 C 0.3422(5) 0.7562(6) 0.5260(3) 0.100(3) Uani 1 d . .
H120 H 0.3183 0.7762 0.4976 0.12 Uiso 1 calc . .
H121 H 0.3777 0.7277 0.5164 0.12 Uiso 1 calc . .
C83 C 0.3592(5) 0.8268(6) 0.5587(3) 0.084(3) Uani 1 d . .
H122 H 0.4018 0.8391 0.5585 0.101 Uiso 1 calc . .
H123 H 0.3367 0.8773 0.5485 0.101 Uiso 1 calc . .
O6 O 0.3933(4) 0.9724(6) 0.6442(3) 0.065(2) Uani 0.717(9) d B 1
C84 C 0.4488(6) 0.9836(9) 0.6246(5) 0.090(4) Uani 0.717(9) d B 1
H124 H 0.469 0.9293 0.6236 0.108 Uiso 0.717(9) calc B 1
H125 H 0.4413 1.0042 0.5919 0.108 Uiso 0.717(9) calc B 1
C85 C 0.4856(7) 1.0401(14) 0.6509(6) 0.114(6) Uani 0.717(9) d B 1
H126 H 0.5155 1.0647 0.6321 0.136 Uiso 0.717(9) calc B 1
H127 H 0.5052 1.0143 0.6797 0.136 Uiso 0.717(9) calc B 1
C86 C 0.4359(9) 1.1073(8) 0.6628(10) 0.107(7) Uani 0.717(9) d B 1
H128 H 0.4465 1.1352 0.6933 0.129 Uiso 0.717(9) calc B 1
H129 H 0.4294 1.1497 0.6378 0.129 Uiso 0.717(9) calc B 1
C87 C 0.3824(4) 1.0509(5) 0.6647(3) 0.086(3) Uani 0.717(9) d B 1
H130 H 0.3739 1.0432 0.6978 0.104 Uiso 0.717(9) calc B 1
H131 H 0.3475 1.0772 0.6474 0.104 Uiso 0.717(9) calc B 1
O6A O 0.4012(12) 0.9628(16) 0.6710(9) 0.065(2) Uani 0.283(9) d B 2
C84A C 0.4594(14) 0.960(2) 0.6939(12) 0.090(4) Uani 0.283(9) d B 2
H132 H 0.4831 0.9157 0.681 0.108 Uiso 0.283(9) calc B 2
H133 H 0.4589 0.9521 0.7282 0.108 Uiso 0.283(9) calc B 2
C85A C 0.4832(18) 1.046(4) 0.6829(15) 0.114(6) Uani 0.283(9) d B 2
H134 H 0.4881 1.0804 0.7118 0.136 Uiso 0.283(9) calc B 2
H135 H 0.522 1.0411 0.6702 0.136 Uiso 0.283(9) calc B 2
C86A C 0.448(3) 1.079(3) 0.654(3) 0.107(7) Uani 0.283(9) d B 2
H136 H 0.4554 1.0613 0.6218 0.129 Uiso 0.283(9) calc B 2
H137 H 0.4515 1.1402 0.6558 0.129 Uiso 0.283(9) calc B 2
C87A C 0.3824(4) 1.0509(5) 0.6647(3) 0.086(3) Uani 0.283(9) d B 2
H138 H 0.3695 1.0763 0.6936 0.104 Uiso 0.283(9) calc B 2
H139 H 0.3524 1.0595 0.6378 0.104 Uiso 0.283(9) calc B 2
O7 O 0.3957(7) 0.8334(9) 0.7212(6) 0.082(4) Uani 0.563(8) d B 1
C88 C 0.4489(6) 0.8578(8) 0.7474(5) 0.057(3) Uani 0.563(8) d B 1
H140 H 0.445 0.9151 0.7594 0.068 Uiso 0.563(8) calc B 1
H141 H 0.4818 0.8569 0.7271 0.068 Uiso 0.563(8) calc B 1
C89 C 0.4611(8) 0.8003(9) 0.7867(5) 0.065(4) Uani 0.563(8) d B 1
H142 H 0.5036 0.786 0.7907 0.078 Uiso 0.563(8) calc B 1
H143 H 0.4499 0.8252 0.8162 0.078 Uiso 0.563(8) calc B 1
C90 C 0.4272(10) 0.7298(14) 0.7749(6) 0.190(8) Uani 0.563(8) d B 1
H144 H 0.4136 0.7043 0.8035 0.228 Uiso 0.563(8) calc B 1
H145 H 0.4507 0.6882 0.7592 0.228 Uiso 0.563(8) calc B 1
C91 C 0.3763(13) 0.7572(18) 0.7428(11) 0.144(8) Uani 0.563(8) d B 1
H146 H 0.3655 0.7144 0.7187 0.172 Uiso 0.563(8) calc B 1
H147 H 0.3417 0.7681 0.7605 0.172 Uiso 0.563(8) calc B 1
O7A O 0.3699(11) 0.7990(12) 0.7182(8) 0.082(4) Uani 0.437(8) d B 2
C88A C 0.4009(8) 0.7194(10) 0.7193(6) 0.057(3) Uani 0.437(8) d B 2
H148 H 0.4321 0.7174 0.6974 0.068 Uiso 0.437(8) calc B 2
H149 H 0.374 0.6714 0.7139 0.068 Uiso 0.437(8) calc B 2
C89A C 0.4272(10) 0.7298(14) 0.7749(6) 0.190(8) Uani 0.437(8) d B 2
H150 H 0.4337 0.6737 0.7887 0.228 Uiso 0.437(8) calc B 2
H151 H 0.466 0.7577 0.776 0.228 Uiso 0.437(8) calc B 2
C90A C 0.398(2) 0.767(3) 0.7979(10) 0.160(19) Uani 0.437(8) d B 2
H152 H 0.4216 0.8053 0.8188 0.193 Uiso 0.437(8) calc B 2
H153 H 0.3763 0.7285 0.8175 0.193 Uiso 0.437(8) calc B 2
C91A C 0.3554(16) 0.814(2) 0.7647(12) 0.144(8) Uani 0.437(8) d B 2
H154 H 0.3146 0.7949 0.768 0.172 Uiso 0.437(8) calc B 2
H155 H 0.358 0.8737 0.7719 0.172 Uiso 0.437(8) calc B 2
O8 O 0.2685(11) 0.8910(10) 0.6749(7) 0.053(3) Uani 0.581(14) d B 1
C92 C 0.2491(11) 0.9301(13) 0.7162(8) 0.089(6) Uani 0.581(14) d B 1
H156 H 0.2827 0.952 0.737 0.107 Uiso 0.581(14) calc B 1
H157 H 0.2258 0.8916 0.7341 0.107 Uiso 0.581(14) calc B 1
C93 C 0.2052(12) 1.0106(16) 0.6901(8) 0.081(5) Uani 0.581(14) d B 1
H158 H 0.1798 1.0386 0.7116 0.097 Uiso 0.581(14) calc B 1
H159 H 0.2269 1.0513 0.6722 0.097 Uiso 0.581(14) calc B 1
C94 C 0.1723(14) 0.9373(11) 0.6578(12) 0.087(6) Uani 0.581(14) d B 1
H160 H 0.1521 0.897 0.6771 0.104 Uiso 0.581(14) calc B 1
H161 H 0.1437 0.9602 0.6329 0.104 Uiso 0.581(14) calc B 1
C95 C 0.224(2) 0.9002(16) 0.6382(15) 0.061(5) Uani 0.581(14) d B 1
H162 H 0.2134 0.8454 0.624 0.073 Uiso 0.581(14) calc B 1
H163 H 0.2376 0.9367 0.6135 0.073 Uiso 0.581(14) calc B 1
O8A O 0.2725(16) 0.9242(13) 0.6686(11) 0.053(3) Uani 0.419(14) d B 2
C92A C 0.2507(16) 0.9814(19) 0.7062(12) 0.089(6) Uani 0.419(14) d B 2
H164 H 0.2722 0.9675 0.7369 0.107 Uiso 0.419(14) calc B 2
H165 H 0.2604 1.0395 0.6986 0.107 Uiso 0.419(14) calc B 2
C93A C 0.1975(17) 0.977(2) 0.7100(11) 0.081(5) Uani 0.419(14) d B 2
H166 H 0.1826 1.0259 0.7261 0.097 Uiso 0.419(14) calc B 2
H167 H 0.187 0.9255 0.7265 0.097 Uiso 0.419(14) calc B 2
C94A C 0.173(2) 0.9747(16) 0.6522(18) 0.087(6) Uani 0.419(14) d B 2
H168 H 0.1356 0.9441 0.6467 0.104 Uiso 0.419(14) calc B 2
H169 H 0.1683 1.0314 0.6391 0.104 Uiso 0.419(14) calc B 2
C95A C 0.225(4) 0.927(3) 0.631(2) 0.061(5) Uani 0.419(14) d B 2
H170 H 0.2126 0.8704 0.6207 0.073 Uiso 0.419(14) calc B 2
H171 H 0.2377 0.9574 0.6032 0.073 Uiso 0.419(14) calc B 2
O9 O 0.1506(6) 0.7191(5) 0.7439(3) 0.056(3) Uani 0.5 d . .
C96 C 0.1170(6) 0.6527(7) 0.7342(4) 0.038(3) Uani 0.5 d . .
H172 H 0.0748 0.6683 0.7333 0.045 Uiso 0.5 calc . .
H173 H 0.1253 0.61 0.7589 0.045 Uiso 0.5 calc . .
C97 C 0.1297(7) 0.6191(8) 0.6881(5) 0.052(4) Uani 0.5 d . .
H174 H 0.1265 0.5578 0.6874 0.063 Uiso 0.5 calc . .
H175 H 0.1025 0.6426 0.6624 0.063 Uiso 0.5 calc . .
C98 C 0.1863(10) 0.6440(13) 0.6843(8) 0.113(8) Uani 0.5 d . .
H176 H 0.1897 0.6751 0.6548 0.136 Uiso 0.5 calc . .
H177 H 0.2137 0.5963 0.6859 0.136 Uiso 0.5 calc . .
C99 C 0.1967(12) 0.6968(15) 0.7248(9) 0.125(10) Uani 0.5 d . .
H178 H 0.2234 0.6675 0.7486 0.149 Uiso 0.5 calc . .
H179 H 0.2174 0.7474 0.7154 0.149 Uiso 0.5 calc . .
 
 
 
#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_distance
    _geom_bond_site_symmetry_2
    _geom_bond_publ_flag
Dy1 C11 2.663(6) . ?
Dy1 C10 2.668(6) . ?
Dy1 C7 2.671(6) . ?
Dy1 C3 2.678(5) . ?
Dy1 C4 2.691(5) . ?
Dy1 C8 2.698(6) . ?
Dy1 C9 2.699(6) . ?
Dy1 C5 2.706(5) . ?
Dy1 C2 2.734(5) . ?
Dy1 C1 2.759(5) . ?
Dy1 P3 2.7973(14) . ?
Dy1 P1 2.8064(14) . ?
Dy2 C22 2.625(6) . ?
Dy2 C23 2.650(5) . ?
Dy2 C21 2.670(6) . ?
Dy2 C15 2.675(5) . ?
Dy2 C20 2.682(6) . ?
Dy2 C16 2.686(6) . ?
Dy2 C19 2.690(6) . ?
Dy2 C14 2.719(6) . ?
Dy2 C17 2.732(6) . ?
Dy2 C13 2.762(6) . ?
Dy2 P1 2.8007(15) . ?
Dy2 P2 2.8249(15) . ?
Dy3 C28 2.642(6) . ?
Dy3 C29 2.668(6) . ?
Dy3 C27 2.669(6) . ?
Dy3 C26 2.683(6) . ?
Dy3 C34 2.683(6) . ?
Dy3 C33 2.697(5) . ?
Dy3 C25 2.698(6) . ?
Dy3 C35 2.709(6) . ?
Dy3 C32 2.736(6) . ?
Dy3 C31 2.748(6) . ?
Dy3 P3 2.7850(15) . ?
Dy3 P2 2.7996(14) . ?
P1 C37 1.854(5) . ?
P1 Li1 2.557(9) . ?
P2 C46 1.849(5) . ?
P2 Li1 2.477(10) . ?
P3 C55 1.846(5) . ?
P3 Li1 2.472(9) . ?
C1 C2 1.401(8) . ?
C1 C5 1.417(8) . ?
C1 C6 1.504(8) . ?
C2 C3 1.409(8) . ?
C2 H1 0.93 . ?
C3 C4 1.397(8) . ?
C3 H2 0.93 . ?
C4 C5 1.405(7) . ?
C4 H3 0.93 . ?
C5 H4 0.93 . ?
C6 H5 0.96 . ?
C6 H6 0.96 . ?
C6 H7 0.96 . ?
C7 C11 1.421(9) . ?
C7 C8 1.422(8) . ?
C7 C12 1.488(9) . ?
C8 C9 1.389(9) . ?
C8 H8 0.93 . ?
C9 C10 1.401(9) . ?
C9 H9 0.93 . ?
C10 C11 1.381(9) . ?
C10 H10 0.93 . ?
C11 H11 0.93 . ?
C12 H12 0.96 . ?
C12 H13 0.96 . ?
C12 H14 0.96 . ?
C13 C17 1.378(10) . ?
C13 C14 1.403(9) . ?
C13 C18 1.536(10) . ?
C14 C15 1.392(8) . ?
C14 H15 0.93 . ?
C15 C16 1.414(9) . ?
C15 H16 0.93 . ?
C16 C17 1.398(10) . ?
C16 H17 0.93 . ?
C17 H18 0.93 . ?
C18 H19 0.96 . ?
C18 H20 0.96 . ?
C18 H21 0.96 . ?
C19 C23 1.404(9) . ?
C19 C20 1.407(10) . ?
C19 C24 1.500(11) . ?
C20 C21 1.392(10) . ?
C20 H22 0.93 . ?
C21 C22 1.373(8) . ?
C21 H23 0.93 . ?
C22 C23 1.396(9) . ?
C22 H24 0.93 . ?
C23 H25 0.93 . ?
C24 H26 0.96 . ?
C24 H27 0.96 . ?
C24 H28 0.96 . ?
C25 C29 1.412(10) . ?
C25 C26 1.412(9) . ?
C25 C30 1.496(9) . ?
C26 C27 1.387(9) . ?
C26 H29 0.93 . ?
C27 C28 1.380(10) . ?
C27 H30 0.93 . ?
C28 C29 1.400(10) . ?
C28 H31 0.93 . ?
C29 H32 0.93 . ?
C30 H33 0.96 . ?
C30 H34 0.96 . ?
C30 H35 0.96 . ?
C31 C32 1.400(9) . ?
C31 C35 1.404(8) . ?
C31 C36 1.513(9) . ?
C32 C33 1.395(9) . ?
C32 H36 0.93 . ?
C33 C34 1.412(8) . ?
C33 H37 0.93 . ?
C34 C35 1.391(9) . ?
C34 H38 0.93 . ?
C35 H39 0.93 . ?
C36 H40 0.96 . ?
C36 H41 0.96 . ?
C36 H42 0.96 . ?
C37 C38 1.414(7) . ?
C37 C42 1.418(8) . ?
C38 C39 1.404(8) . ?
C38 C43 1.497(8) . ?
C39 C40 1.369(9) . ?
C39 H43 0.93 . ?
C40 C41 1.374(9) . ?
C40 C44 1.527(9) . ?
C41 C42 1.393(8) . ?
C41 H44 0.93 . ?
C42 C45 1.490(8) . ?
C43 H45 0.96 . ?
C43 H46 0.96 . ?
C43 H47 0.96 . ?
C44 H48 0.96 . ?
C44 H49 0.96 . ?
C44 H50 0.96 . ?
C45 H51 0.96 . ?
C45 H52 0.96 . ?
C45 H53 0.96 . ?
C46 C47 1.412(7) . ?
C46 C51 1.417(7) . ?
C47 C48 1.388(7) . ?
C47 C52 1.503(8) . ?
C48 C49 1.378(8) . ?
C48 H54 0.93 . ?
C49 C50 1.396(8) . ?
C49 C53 1.500(8) . ?
C50 C51 1.394(7) . ?
C50 H55 0.93 . ?
C51 C54 1.496(8) . ?
C52 H56 0.96 . ?
C52 H57 0.96 . ?
C52 H58 0.96 . ?
C53 H59 0.96 . ?
C53 H60 0.96 . ?
C53 H61 0.96 . ?
C54 H62 0.96 . ?
C54 H63 0.96 . ?
C54 H64 0.96 . ?
C55 C56 1.410(7) . ?
C55 C60 1.421(7) . ?
C56 C57 1.392(8) . ?
C56 C61 1.500(8) . ?
C57 C58 1.390(9) . ?
C57 H65 0.93 . ?
C58 C59 1.379(9) . ?
C58 C62 1.536(9) . ?
C59 C60 1.382(8) . ?
C59 H66 0.93 . ?
C60 C63 1.506(7) . ?
C61 H67 0.96 . ?
C61 H68 0.96 . ?
C61 H69 0.96 . ?
C62 H70 0.96 . ?
C62 H71 0.96 . ?
C62 H72 0.96 . ?
C63 H73 0.96 . ?
C63 H74 0.96 . ?
C63 H75 0.96 . ?
Li2 O3 1.900(13) . ?
Li2 O4 1.90(2) . ?
Li2 O2 1.914(12) . ?
Li2 O1 1.928(13) . ?
Li2 O4A 2.02(3) . ?
O1 C64 1.434(8) . ?
O1 C67 1.449(7) . ?
C64 C65 1.507(11) . ?
C64 H76 0.97 . ?
C64 H77 0.97 . ?
C65 C66 1.495(11) . ?
C65 H78 0.97 . ?
C65 H79 0.97 . ?
C66 C67 1.496(9) . ?
C66 H80 0.97 . ?
C66 H81 0.97 . ?
C67 H82 0.97 . ?
C67 H83 0.97 . ?
O2 C71 1.425(8) . ?
O2 C68 1.427(8) . ?
C68 C69 1.458(10) . ?
C68 H84 0.97 . ?
C68 H85 0.97 . ?
C69 C70 1.477(12) . ?
C69 H86 0.97 . ?
C69 H87 0.97 . ?
C70 C71 1.489(11) . ?
C70 H88 0.97 . ?
C70 H89 0.97 . ?
C71 H90 0.97 . ?
C71 H91 0.97 . ?
O3 C75 1.425(7) . ?
O3 C72 1.449(8) . ?
C72 C73 1.492(11) . ?
C72 H92 0.97 . ?
C72 H93 0.97 . ?
C73 C74 1.475(11) . ?
C73 H94 0.97 . ?
C73 H95 0.97 . ?
C74 C75 1.505(10) . ?
C74 H96 0.97 . ?
C74 H97 0.97 . ?
C75 H98 0.97 . ?
C75 H99 0.97 . ?
O4 C76 1.43(2) . ?
O4 C79 1.48(2) . ?
C76 C77 1.525(10) . ?
C76 H100 0.97 . ?
C76 H101 0.97 . ?
C77 C78 1.502(11) . ?
C77 H102 0.97 . ?
C77 H103 0.97 . ?
C78 C79 1.487(12) . ?
C78 H104 0.97 . ?
C78 H105 0.97 . ?
C79 H106 0.97 . ?
C79 H107 0.97 . ?
O4A C79A 1.37(4) . ?
C79A H114 0.97 . ?
C79A H115 0.97 . ?
Li3 O6A 1.83(3) . ?
Li3 O5 1.909(13) . ?
Li3 O8 1.91(3) . ?
Li3 O7A 1.95(2) . ?
Li3 O8A 1.95(4) . ?
Li3 O6 1.947(16) . ?
Li3 O7 1.95(2) . ?
O5 C80 1.407(8) . ?
O5 C83 1.447(9) . ?
C80 C81 1.535(13) . ?
C80 H116 0.97 . ?
C80 H117 0.97 . ?
C81 C82 1.462(13) . ?
C81 H118 0.97 . ?
C81 H119 0.97 . ?
C82 C83 1.468(12) . ?
C82 H120 0.97 . ?
C82 H121 0.97 . ?
C83 H122 0.97 . ?
C83 H123 0.97 . ?
O6 C87 1.395(12) . ?
O6 C84 1.413(14) . ?
C84 C85 1.38(2) . ?
C84 H124 0.97 . ?
C84 H125 0.97 . ?
C85 C86 1.59(2) . ?
C85 H126 0.97 . ?
C85 H127 0.97 . ?
C86 C87 1.49(2) . ?
C86 H128 0.97 . ?
C86 H129 0.97 . ?
C87 H130 0.97 . ?
C87 H131 0.97 . ?
O6A C84A 1.40(4) . ?
C84A C85A 1.50(5) . ?
C84A H132 0.97 . ?
C84A H133 0.97 . ?
C85A C86A 1.20(7) . ?
C85A H134 0.97 . ?
C85A H135 0.97 . ?
C86A H136 0.97 . ?
C86A H137 0.97 . ?
O7 C91 1.43(3) . ?
O7 C88 1.39(2) . ?
C88 C89 1.431(17) . ?
C88 H140 0.97 . ?
C88 H141 0.97 . ?
C89 C90 1.37(2) . ?
C89 H142 0.97 . ?
C89 H143 0.97 . ?
C90 C91 1.45(3) . ?
C90 H144 0.97 . ?
C90 H145 0.97 . ?
C91 H146 0.97 . ?
C91 H147 0.97 . ?
O7A C91A 1.39(4) . ?
O7A C88A 1.43(3) . ?
C88A H148 0.97 . ?
C88A H149 0.97 . ?
C90A C91A 1.46(4) . ?
C90A H152 0.97 . ?
C90A H153 0.97 . ?
C91A H154 0.97 . ?
C91A H155 0.97 . ?
O8 C95 1.37(5) . ?
O8 C92 1.41(3) . ?
C92 C93 1.72(4) . ?
C92 H156 0.97 . ?
C92 H157 0.97 . ?
C93 C94 1.60(3) . ?
C93 H158 0.97 . ?
C93 H159 0.97 . ?
C94 C95 1.45(6) . ?
C94 H160 0.97 . ?
C94 H161 0.97 . ?
C95 H162 0.97 . ?
C95 H163 0.97 . ?
O8A C95A 1.43(8) . ?
O8A C92A 1.50(5) . ?
C92A C93A 1.20(5) . ?
C92A H164 0.97 . ?
C92A H165 0.97 . ?
C93A C94A 1.66(6) . ?
C93A H166 0.97 . ?
C93A H167 0.97 . ?
C94A C95A 1.54(9) . ?
C94A H168 0.97 . ?
C94A H169 0.97 . ?
C95A H170 0.97 . ?
C95A H171 0.97 . ?
O9 C99 1.25(3) . ?
O9 C96 1.301(15) . ?
C96 C97 1.448(16) . ?
C96 C99 1.95(2) . ?
C96 H172 0.97 . ?
C96 H173 0.97 . ?
C97 C98 1.34(2) . ?
C97 H174 0.97 . ?
C97 H175 0.97 . ?
C98 C99 1.41(3) . ?
C98 H176 0.97 . ?
C98 H177 0.97 . ?
C99 H178 0.97 . ?
C99 H179 0.97 . ?
 
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle_publ_flag
C11 Dy1 C10 30.03(19) . . ?
C11 Dy1 C7 30.90(19) . . ?
C10 Dy1 C7 50.5(2) . . ?
C11 Dy1 C3 78.1(2) . . ?
C10 Dy1 C3 89.3(2) . . ?
C7 Dy1 C3 100.6(2) . . ?
C11 Dy1 C4 107.68(19) . . ?
C10 Dy1 C4 112.1(2) . . ?
C7 Dy1 C4 130.2(2) . . ?
C3 Dy1 C4 30.15(18) . . ?
C11 Dy1 C8 50.19(19) . . ?
C10 Dy1 C8 49.8(2) . . ?
C7 Dy1 C8 30.72(18) . . ?
C3 Dy1 C8 128.0(2) . . ?
C4 Dy1 C8 157.87(18) . . ?
C11 Dy1 C9 49.8(2) . . ?
C10 Dy1 C9 30.3(2) . . ?
C7 Dy1 C9 50.28(19) . . ?
C3 Dy1 C9 119.5(2) . . ?
C4 Dy1 C9 139.44(19) . . ?
C8 Dy1 C9 29.83(18) . . ?
C11 Dy1 C5 122.62(19) . . ?
C10 Dy1 C5 138.9(2) . . ?
C7 Dy1 C5 129.01(18) . . ?
C3 Dy1 C5 49.69(18) . . ?
C4 Dy1 C5 30.17(16) . . ?
C8 Dy1 C5 155.53(18) . . ?
C9 Dy1 C5 168.92(19) . . ?
C11 Dy1 C2 73.9(2) . . ?
C10 Dy1 C2 97.5(2) . . ?
C7 Dy1 C2 83.7(2) . . ?
C3 Dy1 C2 30.15(17) . . ?
C4 Dy1 C2 49.58(19) . . ?
C8 Dy1 C2 114.38(19) . . ?
C9 Dy1 C2 123.6(2) . . ?
C5 Dy1 C2 49.31(18) . . ?
C11 Dy1 C1 100.0(2) . . ?
C10 Dy1 C1 126.5(2) . . ?
C7 Dy1 C1 99.23(19) . . ?
C3 Dy1 C1 49.48(18) . . ?
C4 Dy1 C1 49.62(17) . . ?
C8 Dy1 C1 126.26(18) . . ?
C9 Dy1 C1 148.23(19) . . ?
C5 Dy1 C1 30.03(17) . . ?
C2 Dy1 C1 29.56(17) . . ?
C11 Dy1 P3 118.56(15) . . ?
C10 Dy1 P3 88.94(15) . . ?
C7 Dy1 P3 131.90(13) . . ?
C3 Dy1 P3 103.74(13) . . ?
C4 Dy1 P3 84.44(13) . . ?
C8 Dy1 P3 105.49(13) . . ?
C9 Dy1 P3 81.62(14) . . ?
C5 Dy1 P3 98.02(12) . . ?
C2 Dy1 P3 132.57(14) . . ?
C1 Dy1 P3 128.02(13) . . ?
C11 Dy1 P1 129.63(15) . . ?
C10 Dy1 P1 133.31(16) . . ?
C7 Dy1 P1 98.79(16) . . ?
C3 Dy1 P1 135.11(14) . . ?
C4 Dy1 P1 114.49(13) . . ?
C8 Dy1 P1 85.30(14) . . ?
C9 Dy1 P1 104.00(15) . . ?
C5 Dy1 P1 87.07(12) . . ?
C2 Dy1 P1 114.86(13) . . ?
C1 Dy1 P1 87.67(13) . . ?
P3 Dy1 P1 92.32(4) . . ?
C22 Dy2 C23 30.68(19) . . ?
C22 Dy2 C21 30.04(18) . . ?
C23 Dy2 C21 50.4(2) . . ?
C22 Dy2 C15 143.95(19) . . ?
C23 Dy2 C15 124.7(2) . . ?
C21 Dy2 C15 173.99(19) . . ?
C22 Dy2 C20 49.5(2) . . ?
C23 Dy2 C20 49.88(19) . . ?
C21 Dy2 C20 30.2(2) . . ?
C15 Dy2 C20 151.7(2) . . ?
C22 Dy2 C16 133.7(2) . . ?
C23 Dy2 C16 104.4(2) . . ?
C21 Dy2 C16 148.8(2) . . ?
C15 Dy2 C16 30.59(19) . . ?
C20 Dy2 C16 121.6(2) . . ?
C22 Dy2 C19 50.3(2) . . ?
C23 Dy2 C19 30.47(19) . . ?
C21 Dy2 C19 50.5(2) . . ?
C15 Dy2 C19 127.9(2) . . ?
C20 Dy2 C19 30.4(2) . . ?
C16 Dy2 C19 98.3(2) . . ?
C22 Dy2 C14 115.68(19) . . ?
C23 Dy2 C14 106.24(19) . . ?
C21 Dy2 C14 144.5(2) . . ?
C15 Dy2 C14 29.89(18) . . ?
C20 Dy2 C14 154.9(2) . . ?
C16 Dy2 C14 49.7(2) . . ?
C19 Dy2 C14 125.2(2) . . ?
C22 Dy2 C17 104.4(2) . . ?
C23 Dy2 C17 77.0(2) . . ?
C21 Dy2 C17 126.8(2) . . ?
C15 Dy2 C17 49.3(2) . . ?
C20 Dy2 C17 110.5(2) . . ?
C16 Dy2 C17 29.9(2) . . ?
C19 Dy2 C17 80.9(2) . . ?
C14 Dy2 C17 48.7(2) . . ?
C22 Dy2 C13 95.4(2) . . ?
C23 Dy2 C13 78.2(2) . . ?
C21 Dy2 C13 125.0(2) . . ?
C15 Dy2 C13 49.1(2) . . ?
C20 Dy2 C13 125.3(2) . . ?
C16 Dy2 C13 49.1(2) . . ?
C19 Dy2 C13 95.7(2) . . ?
C14 Dy2 C13 29.65(18) . . ?
C17 Dy2 C13 29.0(2) . . ?
C22 Dy2 P1 84.93(15) . . ?
C23 Dy2 P1 113.66(14) . . ?
C21 Dy2 P1 83.32(17) . . ?
C15 Dy2 P1 96.78(14) . . ?
C20 Dy2 P1 110.70(19) . . ?
C16 Dy2 P1 127.37(15) . . ?
C19 Dy2 P1 132.55(17) . . ?
C14 Dy2 P1 84.61(14) . . ?
C17 Dy2 P1 132.12(15) . . ?
C13 Dy2 P1 104.54(16) . . ?
C22 Dy2 P2 126.50(14) . . ?
C23 Dy2 P2 130.12(14) . . ?
C21 Dy2 P2 96.58(14) . . ?
C15 Dy2 P2 89.41(14) . . ?
C20 Dy2 P2 82.32(13) . . ?
C16 Dy2 P2 87.67(16) . . ?
C19 Dy2 P2 100.69(16) . . ?
C14 Dy2 P2 117.45(13) . . ?
C17 Dy2 P2 114.67(18) . . ?
C13 Dy2 P2 135.67(16) . . ?
P1 Dy2 P2 93.99(4) . . ?
C28 Dy3 C29 30.6(2) . . ?
C28 Dy3 C27 30.1(2) . . ?
C29 Dy3 C27 49.8(2) . . ?
C28 Dy3 C26 49.7(2) . . ?
C29 Dy3 C26 49.4(2) . . ?
C27 Dy3 C26 30.0(2) . . ?
C28 Dy3 C34 141.1(2) . . ?
C29 Dy3 C34 121.6(2) . . ?
C27 Dy3 C34 170.9(2) . . ?
C26 Dy3 C34 149.8(2) . . ?
C28 Dy3 C33 127.0(2) . . ?
C29 Dy3 C33 98.6(2) . . ?
C27 Dy3 C33 144.7(2) . . ?
C26 Dy3 C33 120.1(2) . . ?
C34 Dy3 C33 30.43(18) . . ?
C28 Dy3 C25 50.9(2) . . ?
C29 Dy3 C25 30.5(2) . . ?
C27 Dy3 C25 50.5(2) . . ?
C26 Dy3 C25 30.42(19) . . ?
C34 Dy3 C25 124.55(19) . . ?
C33 Dy3 C25 94.4(2) . . ?
C28 Dy3 C35 114.8(2) . . ?
C29 Dy3 C35 106.9(2) . . ?
C27 Dy3 C35 143.5(2) . . ?
C26 Dy3 C35 155.5(2) . . ?
C34 Dy3 C35 29.90(18) . . ?
C33 Dy3 C35 49.52(19) . . ?
C25 Dy3 C35 126.2(2) . . ?
C28 Dy3 C32 98.4(2) . . ?
C29 Dy3 C32 72.8(2) . . ?
C27 Dy3 C32 122.6(2) . . ?
C26 Dy3 C32 110.1(2) . . ?
C34 Dy3 C32 49.14(19) . . ?
C33 Dy3 C32 29.75(19) . . ?
C25 Dy3 C32 79.8(2) . . ?
C35 Dy3 C32 48.55(19) . . ?
C28 Dy3 C31 91.4(2) . . ?
C29 Dy3 C31 77.5(2) . . ?
C27 Dy3 C31 121.4(2) . . ?
C26 Dy3 C31 125.8(2) . . ?
C34 Dy3 C31 49.7(2) . . ?
C33 Dy3 C31 49.7(2) . . ?
C25 Dy3 C31 97.4(2) . . ?
C35 Dy3 C31 29.81(18) . . ?
C32 Dy3 C31 29.58(19) . . ?
C28 Dy3 P3 129.01(19) . . ?
C29 Dy3 P3 129.72(18) . . ?
C27 Dy3 P3 99.15(19) . . ?
C26 Dy3 P3 83.37(15) . . ?
C34 Dy3 P3 89.18(15) . . ?
C33 Dy3 P3 90.50(15) . . ?
C25 Dy3 P3 99.87(16) . . ?
C35 Dy3 P3 115.99(14) . . ?
C32 Dy3 P3 118.38(15) . . ?
C31 Dy3 P3 137.71(14) . . ?
C28 Dy3 P2 89.91(17) . . ?
C29 Dy3 P2 119.27(17) . . ?
C27 Dy3 P2 86.14(15) . . ?
C26 Dy3 P2 111.85(15) . . ?
C34 Dy3 P2 97.49(14) . . ?
C33 Dy3 P2 127.87(15) . . ?
C25 Dy3 P2 136.38(14) . . ?
C35 Dy3 P2 83.99(14) . . ?
C32 Dy3 P2 130.82(14) . . ?
C31 Dy3 P2 102.46(14) . . ?
P3 Dy3 P2 90.95(4) . . ?
C37 P1 Li1 108.3(3) . . ?
C37 P1 Dy2 113.54(18) . . ?
Li1 P1 Dy2 76.9(2) . . ?
C37 P1 Dy1 112.55(18) . . ?
Li1 P1 Dy1 78.5(2) . . ?
Dy2 P1 Dy1 132.49(5) . . ?
C46 P2 Li1 120.9(3) . . ?
C46 P2 Dy3 116.44(16) . . ?
Li1 P2 Dy3 80.1(2) . . ?
C46 P2 Dy2 112.39(16) . . ?
Li1 P2 Dy2 77.7(2) . . ?
Dy3 P2 Dy2 131.08(5) . . ?
C55 P3 Li1 123.2(3) . . ?
C55 P3 Dy3 114.89(18) . . ?
Li1 P3 Dy3 80.5(2) . . ?
C55 P3 Dy1 109.76(18) . . ?
Li1 P3 Dy1 80.0(2) . . ?
Dy3 P3 Dy1 134.99(5) . . ?
C2 C1 C5 107.3(5) . . ?
C2 C1 C6 124.9(6) . . ?
C5 C1 C6 127.7(6) . . ?
C2 C1 Dy1 74.3(3) . . ?
C5 C1 Dy1 72.9(3) . . ?
C6 C1 Dy1 122.0(4) . . ?
C1 C2 C3 108.2(6) . . ?
C1 C2 Dy1 76.2(3) . . ?
C3 C2 Dy1 72.7(3) . . ?
C1 C2 H1 125.9 . . ?
C3 C2 H1 125.9 . . ?
Dy1 C2 H1 117.2 . . ?
C4 C3 C2 108.4(6) . . ?
C4 C3 Dy1 75.4(3) . . ?
C2 C3 Dy1 77.1(3) . . ?
C4 C3 H2 125.8 . . ?
C2 C3 H2 125.8 . . ?
Dy1 C3 H2 113.9 . . ?
C3 C4 C5 107.7(5) . . ?
C3 C4 Dy1 74.4(3) . . ?
C5 C4 Dy1 75.5(3) . . ?
C3 C4 H3 126.1 . . ?
C5 C4 H3 126.1 . . ?
Dy1 C4 H3 116.1 . . ?
C4 C5 C1 108.3(5) . . ?
C4 C5 Dy1 74.3(3) . . ?
C1 C5 Dy1 77.1(3) . . ?
C4 C5 H4 125.8 . . ?
C1 C5 H4 125.8 . . ?
Dy1 C5 H4 115 . . ?
C1 C6 H5 109.5 . . ?
C1 C6 H6 109.5 . . ?
H5 C6 H6 109.5 . . ?
C1 C6 H7 109.5 . . ?
H5 C6 H7 109.5 . . ?
H6 C6 H7 109.5 . . ?
C11 C7 C8 106.2(6) . . ?
C11 C7 C12 128.6(6) . . ?
C8 C7 C12 125.3(7) . . ?
C11 C7 Dy1 74.2(3) . . ?
C8 C7 Dy1 75.7(3) . . ?
C12 C7 Dy1 116.1(4) . . ?
C9 C8 C7 108.5(6) . . ?
C9 C8 Dy1 75.1(3) . . ?
C7 C8 Dy1 73.6(3) . . ?
C9 C8 H8 125.8 . . ?
C7 C8 H8 125.8 . . ?
Dy1 C8 H8 117.5 . . ?
C8 C9 C10 108.1(6) . . ?
C8 C9 Dy1 75.0(3) . . ?
C10 C9 Dy1 73.6(4) . . ?
C8 C9 H9 125.9 . . ?
C10 C9 H9 125.9 . . ?
Dy1 C9 H9 117.4 . . ?
C11 C10 C9 108.6(6) . . ?
C11 C10 Dy1 74.8(4) . . ?
C9 C10 Dy1 76.1(4) . . ?
C11 C10 H10 125.7 . . ?
C9 C10 H10 125.7 . . ?
Dy1 C10 H10 115.5 . . ?
C10 C11 C7 108.6(6) . . ?
C10 C11 Dy1 75.2(4) . . ?
C7 C11 Dy1 74.9(3) . . ?
C10 C11 H11 125.7 . . ?
C7 C11 H11 125.7 . . ?
Dy1 C11 H11 116.3 . . ?
C7 C12 H12 109.5 . . ?
C7 C12 H13 109.5 . . ?
H12 C12 H13 109.5 . . ?
C7 C12 H14 109.5 . . ?
H12 C12 H14 109.5 . . ?
H13 C12 H14 109.5 . . ?
C17 C13 C14 107.8(6) . . ?
C17 C13 C18 128.1(7) . . ?
C14 C13 C18 124.0(7) . . ?
C17 C13 Dy2 74.3(4) . . ?
C14 C13 Dy2 73.5(3) . . ?
C18 C13 Dy2 120.8(5) . . ?
C15 C14 C13 108.1(6) . . ?
C15 C14 Dy2 73.3(3) . . ?
C13 C14 Dy2 76.9(4) . . ?
C15 C14 H15 125.9 . . ?
C13 C14 H15 125.9 . . ?
Dy2 C14 H15 116 . . ?
C14 C15 C16 108.0(6) . . ?
C14 C15 Dy2 76.8(3) . . ?
C16 C15 Dy2 75.1(3) . . ?
C14 C15 H16 126 . . ?
C16 C15 H16 126 . . ?
Dy2 C15 H16 114.4 . . ?
C17 C16 C15 106.7(6) . . ?
C17 C16 Dy2 76.9(4) . . ?
C15 C16 Dy2 74.3(3) . . ?
C17 C16 H17 126.6 . . ?
C15 C16 H17 126.6 . . ?
Dy2 C16 H17 114.6 . . ?
C13 C17 C16 109.4(6) . . ?
C13 C17 Dy2 76.7(4) . . ?
C16 C17 Dy2 73.2(4) . . ?
C13 C17 H18 125.3 . . ?
C16 C17 H18 125.3 . . ?
Dy2 C17 H18 116.7 . . ?
C13 C18 H19 109.5 . . ?
C13 C18 H20 109.5 . . ?
H19 C18 H20 109.5 . . ?
C13 C18 H21 109.5 . . ?
H19 C18 H21 109.5 . . ?
H20 C18 H21 109.5 . . ?
C23 C19 C20 106.3(6) . . ?
C23 C19 C24 126.1(8) . . ?
C20 C19 C24 127.6(8) . . ?
C23 C19 Dy2 73.2(3) . . ?
C20 C19 Dy2 74.5(3) . . ?
C24 C19 Dy2 120.0(5) . . ?
C21 C20 C19 109.5(6) . . ?
C21 C20 Dy2 74.4(3) . . ?
C19 C20 Dy2 75.2(4) . . ?
C21 C20 H22 125.3 . . ?
C19 C20 H22 125.3 . . ?
Dy2 C20 H22 117 . . ?
C22 C21 C20 106.9(7) . . ?
C22 C21 Dy2 73.2(3) . . ?
C20 C21 Dy2 75.4(4) . . ?
C22 C21 H23 126.6 . . ?
C20 C21 H23 126.6 . . ?
Dy2 C21 H23 117 . . ?
C21 C22 C23 109.7(6) . . ?
C21 C22 Dy2 76.8(4) . . ?
C23 C22 Dy2 75.6(3) . . ?
C21 C22 H24 125.1 . . ?
C23 C22 H24 125.1 . . ?
Dy2 C22 H24 114.5 . . ?
C22 C23 C19 107.7(6) . . ?
C22 C23 Dy2 73.7(3) . . ?
C19 C23 Dy2 76.4(3) . . ?
C22 C23 H25 126.2 . . ?
C19 C23 H25 126.2 . . ?
Dy2 C23 H25 116 . . ?
C19 C24 H26 109.5 . . ?
C19 C24 H27 109.5 . . ?
H26 C24 H27 109.5 . . ?
C19 C24 H28 109.5 . . ?
H26 C24 H28 109.5 . . ?
H27 C24 H28 109.5 . . ?
C29 C25 C26 104.8(6) . . ?
C29 C25 C30 128.5(7) . . ?
C26 C25 C30 126.6(7) . . ?
C29 C25 Dy3 73.6(4) . . ?
C26 C25 Dy3 74.2(3) . . ?
C30 C25 Dy3 117.4(4) . . ?
C27 C26 C25 109.9(7) . . ?
C27 C26 Dy3 74.4(4) . . ?
C25 C26 Dy3 75.4(4) . . ?
C27 C26 H29 125 . . ?
C25 C26 H29 125 . . ?
Dy3 C26 H29 117 . . ?
C28 C27 C26 108.0(6) . . ?
C28 C27 Dy3 73.9(4) . . ?
C26 C27 Dy3 75.5(3) . . ?
C28 C27 H30 126 . . ?
C26 C27 H30 126 . . ?
Dy3 C27 H30 116.6 . . ?
C27 C28 C29 107.9(7) . . ?
C27 C28 Dy3 76.0(4) . . ?
C29 C28 Dy3 75.7(4) . . ?
C27 C28 H31 126.1 . . ?
C29 C28 H31 126.1 . . ?
Dy3 C28 H31 114.5 . . ?
C28 C29 C25 109.4(7) . . ?
C28 C29 Dy3 73.7(4) . . ?
C25 C29 Dy3 75.9(4) . . ?
C28 C29 H32 125.3 . . ?
C25 C29 H32 125.3 . . ?
Dy3 C29 H32 116.9 . . ?
C25 C30 H33 109.5 . . ?
C25 C30 H34 109.5 . . ?
H33 C30 H34 109.5 . . ?
C25 C30 H35 109.5 . . ?
H33 C30 H35 109.5 . . ?
H34 C30 H35 109.5 . . ?
C32 C31 C35 105.9(6) . . ?
C32 C31 C36 128.1(6) . . ?
C35 C31 C36 125.8(6) . . ?
C32 C31 Dy3 74.7(3) . . ?
C35 C31 Dy3 73.6(3) . . ?
C36 C31 Dy3 120.1(4) . . ?
C33 C32 C31 110.1(6) . . ?
C33 C32 Dy3 73.6(3) . . ?
C31 C32 Dy3 75.7(3) . . ?
C33 C32 H36 125 . . ?
C31 C32 H36 125 . . ?
Dy3 C32 H36 117.5 . . ?
C32 C33 C34 106.8(6) . . ?
C32 C33 Dy3 76.6(3) . . ?
C34 C33 Dy3 74.2(3) . . ?
C32 C33 H37 126.6 . . ?
C34 C33 H37 126.6 . . ?
Dy3 C33 H37 114.9 . . ?
C35 C34 C33 107.7(6) . . ?
C35 C34 Dy3 76.1(3) . . ?
C33 C34 Dy3 75.3(3) . . ?
C35 C34 H38 126.1 . . ?
C33 C34 H38 126.1 . . ?
Dy3 C34 H38 114.7 . . ?
C34 C35 C31 109.5(6) . . ?
C34 C35 Dy3 74.0(3) . . ?
C31 C35 Dy3 76.6(3) . . ?
C34 C35 H39 125.2 . . ?
C31 C35 H39 125.2 . . ?
Dy3 C35 H39 116 . . ?
C31 C36 H40 109.5 . . ?
C31 C36 H41 109.5 . . ?
H40 C36 H41 109.5 . . ?
C31 C36 H42 109.5 . . ?
H40 C36 H42 109.5 . . ?
H41 C36 H42 109.5 . . ?
C38 C37 C42 116.7(5) . . ?
C38 C37 P1 119.8(4) . . ?
C42 C37 P1 123.4(4) . . ?
C39 C38 C37 120.0(5) . . ?
C39 C38 C43 118.9(5) . . ?
C37 C38 C43 121.1(5) . . ?
C40 C39 C38 123.1(6) . . ?
C40 C39 H43 118.5 . . ?
C38 C39 H43 118.5 . . ?
C39 C40 C41 116.8(6) . . ?
C39 C40 C44 121.7(7) . . ?
C41 C40 C44 121.5(6) . . ?
C40 C41 C42 123.2(6) . . ?
C40 C41 H44 118.4 . . ?
C42 C41 H44 118.4 . . ?
C41 C42 C37 120.2(5) . . ?
C41 C42 C45 118.9(5) . . ?
C37 C42 C45 120.9(5) . . ?
C38 C43 H45 109.5 . . ?
C38 C43 H46 109.5 . . ?
H45 C43 H46 109.5 . . ?
C38 C43 H47 109.5 . . ?
H45 C43 H47 109.5 . . ?
H46 C43 H47 109.5 . . ?
C40 C44 H48 109.5 . . ?
C40 C44 H49 109.5 . . ?
H48 C44 H49 109.5 . . ?
C40 C44 H50 109.5 . . ?
H48 C44 H50 109.5 . . ?
H49 C44 H50 109.5 . . ?
C42 C45 H51 109.5 . . ?
C42 C45 H52 109.5 . . ?
H51 C45 H52 109.5 . . ?
C42 C45 H53 109.5 . . ?
H51 C45 H53 109.5 . . ?
H52 C45 H53 109.5 . . ?
C47 C46 C51 116.4(5) . . ?
C47 C46 P2 124.4(4) . . ?
C51 C46 P2 119.1(4) . . ?
C48 C47 C46 121.1(5) . . ?
C48 C47 C52 117.9(5) . . ?
C46 C47 C52 120.9(5) . . ?
C49 C48 C47 122.4(6) . . ?
C49 C48 H54 118.8 . . ?
C47 C48 H54 118.8 . . ?
C48 C49 C50 117.3(5) . . ?
C48 C49 C53 122.2(6) . . ?
C50 C49 C53 120.5(6) . . ?
C51 C50 C49 121.7(5) . . ?
C51 C50 H55 119.2 . . ?
C49 C50 H55 119.2 . . ?
C50 C51 C46 121.0(5) . . ?
C50 C51 C54 118.0(5) . . ?
C46 C51 C54 120.9(5) . . ?
C47 C52 H56 109.5 . . ?
C47 C52 H57 109.5 . . ?
H56 C52 H57 109.5 . . ?
C47 C52 H58 109.5 . . ?
H56 C52 H58 109.5 . . ?
H57 C52 H58 109.5 . . ?
C49 C53 H59 109.5 . . ?
C49 C53 H60 109.5 . . ?
H59 C53 H60 109.5 . . ?
C49 C53 H61 109.5 . . ?
H59 C53 H61 109.5 . . ?
H60 C53 H61 109.5 . . ?
C51 C54 H62 109.5 . . ?
C51 C54 H63 109.5 . . ?
H62 C54 H63 109.5 . . ?
C51 C54 H64 109.5 . . ?
H62 C54 H64 109.5 . . ?
H63 C54 H64 109.5 . . ?
C56 C55 C60 117.3(5) . . ?
C56 C55 P3 119.1(4) . . ?
C60 C55 P3 123.6(4) . . ?
C57 C56 C55 120.3(5) . . ?
C57 C56 C61 118.7(5) . . ?
C55 C56 C61 121.0(5) . . ?
C58 C57 C56 122.3(6) . . ?
C58 C57 H65 118.8 . . ?
C56 C57 H65 118.8 . . ?
C59 C58 C57 116.8(6) . . ?
C59 C58 C62 122.5(6) . . ?
C57 C58 C62 120.6(6) . . ?
C58 C59 C60 123.2(6) . . ?
C58 C59 H66 118.4 . . ?
C60 C59 H66 118.4 . . ?
C59 C60 C55 120.0(5) . . ?
C59 C60 C63 117.7(5) . . ?
C55 C60 C63 122.4(5) . . ?
C56 C61 H67 109.5 . . ?
C56 C61 H68 109.5 . . ?
H67 C61 H68 109.5 . . ?
C56 C61 H69 109.5 . . ?
H67 C61 H69 109.5 . . ?
H68 C61 H69 109.5 . . ?
C58 C62 H70 109.5 . . ?
C58 C62 H71 109.5 . . ?
H70 C62 H71 109.5 . . ?
C58 C62 H72 109.5 . . ?
H70 C62 H72 109.5 . . ?
H71 C62 H72 109.5 . . ?
C60 C63 H73 109.5 . . ?
C60 C63 H74 109.5 . . ?
H73 C63 H74 109.5 . . ?
C60 C63 H75 109.5 . . ?
H73 C63 H75 109.5 . . ?
H74 C63 H75 109.5 . . ?
P3 Li1 P2 107.1(3) . . ?
P3 Li1 P1 107.0(3) . . ?
P2 Li1 P1 109.6(4) . . ?
P3 Li1 Dy2 129.5(3) . . ?
P2 Li1 Dy2 55.78(19) . . ?
P1 Li1 Dy2 54.81(18) . . ?
P3 Li1 Dy1 54.19(18) . . ?
P2 Li1 Dy1 131.8(3) . . ?
P1 Li1 Dy1 54.03(17) . . ?
Dy2 Li1 Dy1 99.3(2) . . ?
P3 Li1 Dy3 53.78(17) . . ?
P2 Li1 Dy3 54.11(18) . . ?
P1 Li1 Dy3 129.6(3) . . ?
Dy2 Li1 Dy3 98.8(2) . . ?
Dy1 Li1 Dy3 98.6(2) . . ?
O3 Li2 O4 103.4(8) . . ?
O3 Li2 O2 112.0(7) . . ?
O4 Li2 O2 108.2(8) . . ?
O3 Li2 O1 109.9(6) . . ?
O4 Li2 O1 112.6(8) . . ?
O2 Li2 O1 110.6(6) . . ?
O3 Li2 O4A 111.7(13) . . ?
O2 Li2 O4A 115.7(11) . . ?
O1 Li2 O4A 95.8(10) . . ?
C64 O1 C67 109.0(5) . . ?
C64 O1 Li2 126.0(6) . . ?
C67 O1 Li2 124.5(5) . . ?
O1 C64 C65 106.3(6) . . ?
O1 C64 H76 110.5 . . ?
C65 C64 H76 110.5 . . ?
O1 C64 H77 110.5 . . ?
C65 C64 H77 110.5 . . ?
H76 C64 H77 108.7 . . ?
C66 C65 C64 103.7(6) . . ?
C66 C65 H78 111 . . ?
C64 C65 H78 111 . . ?
C66 C65 H79 111 . . ?
C64 C65 H79 111 . . ?
H78 C65 H79 109 . . ?
C65 C66 C67 102.9(6) . . ?
C65 C66 H80 111.2 . . ?
C67 C66 H80 111.2 . . ?
C65 C66 H81 111.2 . . ?
C67 C66 H81 111.2 . . ?
H80 C66 H81 109.1 . . ?
O1 C67 C66 106.3(6) . . ?
O1 C67 H82 110.5 . . ?
C66 C67 H82 110.5 . . ?
O1 C67 H83 110.5 . . ?
C66 C67 H83 110.5 . . ?
H82 C67 H83 108.7 . . ?
C71 O2 C68 109.2(6) . . ?
C71 O2 Li2 123.1(6) . . ?
C68 O2 Li2 126.0(6) . . ?
O2 C68 C69 107.8(7) . . ?
O2 C68 H84 110.1 . . ?
C69 C68 H84 110.1 . . ?
O2 C68 H85 110.1 . . ?
C69 C68 H85 110.1 . . ?
H84 C68 H85 108.5 . . ?
C68 C69 C70 104.8(7) . . ?
C68 C69 H86 110.8 . . ?
C70 C69 H86 110.8 . . ?
C68 C69 H87 110.8 . . ?
C70 C69 H87 110.8 . . ?
H86 C69 H87 108.9 . . ?
C69 C70 C71 108.2(7) . . ?
C69 C70 H88 110 . . ?
C71 C70 H88 110 . . ?
C69 C70 H89 110 . . ?
C71 C70 H89 110 . . ?
H88 C70 H89 108.4 . . ?
O2 C71 C70 105.3(7) . . ?
O2 C71 H90 110.7 . . ?
C70 C71 H90 110.7 . . ?
O2 C71 H91 110.7 . . ?
C70 C71 H91 110.7 . . ?
H90 C71 H91 108.8 . . ?
C75 O3 C72 109.7(5) . . ?
C75 O3 Li2 123.5(5) . . ?
C72 O3 Li2 124.1(6) . . ?
O3 C72 C73 104.7(6) . . ?
O3 C72 H92 110.8 . . ?
C73 C72 H92 110.8 . . ?
O3 C72 H93 110.8 . . ?
C73 C72 H93 110.8 . . ?
H92 C72 H93 108.9 . . ?
C74 C73 C72 104.8(7) . . ?
C74 C73 H94 110.8 . . ?
C72 C73 H94 110.8 . . ?
C74 C73 H95 110.8 . . ?
C72 C73 H95 110.8 . . ?
H94 C73 H95 108.9 . . ?
C73 C74 C75 104.6(7) . . ?
C73 C74 H96 110.8 . . ?
C75 C74 H96 110.8 . . ?
C73 C74 H97 110.8 . . ?
C75 C74 H97 110.8 . . ?
H96 C74 H97 108.9 . . ?
O3 C75 C74 106.8(6) . . ?
O3 C75 H98 110.4 . . ?
C74 C75 H98 110.4 . . ?
O3 C75 H99 110.4 . . ?
C74 C75 H99 110.4 . . ?
H98 C75 H99 108.6 . . ?
C76 O4 C79 107.0(13) . . ?
C76 O4 Li2 128.7(15) . . ?
C79 O4 Li2 123.6(13) . . ?
O4 C76 C77 108.8(10) . . ?
O4 C76 H100 109.9 . . ?
C77 C76 H100 109.9 . . ?
O4 C76 H101 109.9 . . ?
C77 C76 H101 109.9 . . ?
H100 C76 H101 108.3 . . ?
C78 C77 C76 104.2(6) . . ?
C78 C77 H102 110.9 . . ?
C76 C77 H102 110.9 . . ?
C78 C77 H103 110.9 . . ?
C76 C77 H103 110.9 . . ?
H102 C77 H103 108.9 . . ?
C79 C78 C77 104.8(7) . . ?
C79 C78 H104 110.8 . . ?
C77 C78 H104 110.8 . . ?
C79 C78 H105 110.8 . . ?
C77 C78 H105 110.8 . . ?
H104 C78 H105 108.9 . . ?
O4 C79 C78 105.8(10) . . ?
O4 C79 H106 110.6 . . ?
C78 C79 H106 110.6 . . ?
O4 C79 H107 110.6 . . ?
C78 C79 H107 110.6 . . ?
H106 C79 H107 108.7 . . ?
C79A O4A Li2 127(2) . . ?
O4A C79A H114 109.6 . . ?
O4A C79A H115 109.6 . . ?
H114 C79A H115 108.1 . . ?
O6A Li3 O5 122.8(11) . . ?
O5 Li3 O8 105.2(9) . . ?
O6A Li3 O7A 105.4(12) . . ?
O5 Li3 O7A 108.1(9) . . ?
O6A Li3 O8A 101.7(12) . . ?
O5 Li3 O8A 109.7(11) . . ?
O7A Li3 O8A 108.3(12) . . ?
O5 Li3 O6 104.1(7) . . ?
O8 Li3 O6 114.8(8) . . ?
O5 Li3 O7 120.0(8) . . ?
O8 Li3 O7 109.0(10) . . ?
O6 Li3 O7 104.1(8) . . ?
C80 O5 C83 107.1(6) . . ?
C80 O5 Li3 125.4(6) . . ?
C83 O5 Li3 127.2(6) . . ?
O5 C80 C81 102.9(7) . . ?
O5 C80 H116 111.2 . . ?
C81 C80 H116 111.2 . . ?
O5 C80 H117 111.2 . . ?
C81 C80 H117 111.2 . . ?
H116 C80 H117 109.1 . . ?
C82 C81 C80 102.3(8) . . ?
C82 C81 H118 111.3 . . ?
C80 C81 H118 111.3 . . ?
C82 C81 H119 111.3 . . ?
C80 C81 H119 111.3 . . ?
H118 C81 H119 109.2 . . ?
C81 C82 C83 104.7(8) . . ?
C81 C82 H120 110.8 . . ?
C83 C82 H120 110.8 . . ?
C81 C82 H121 110.8 . . ?
C83 C82 H121 110.8 . . ?
H120 C82 H121 108.9 . . ?
O5 C83 C82 107.9(7) . . ?
O5 C83 H122 110.1 . . ?
C82 C83 H122 110.1 . . ?
O5 C83 H123 110.1 . . ?
C82 C83 H123 110.1 . . ?
H122 C83 H123 108.4 . . ?
C87 O6 C84 103.9(10) . . ?
C87 O6 Li3 120.6(8) . . ?
C84 O6 Li3 132.5(9) . . ?
C85 C84 O6 111.9(13) . . ?
C85 C84 H124 109.2 . . ?
O6 C84 H124 109.2 . . ?
C85 C84 H125 109.2 . . ?
O6 C84 H125 109.2 . . ?
H124 C84 H125 107.9 . . ?
C84 C85 C86 98.7(14) . . ?
C84 C85 H126 112 . . ?
C86 C85 H126 112 . . ?
C84 C85 H127 112 . . ?
C86 C85 H127 112 . . ?
H126 C85 H127 109.7 . . ?
C87 C86 C85 100.7(10) . . ?
C87 C86 H128 111.6 . . ?
C85 C86 H128 111.6 . . ?
C87 C86 H129 111.6 . . ?
C85 C86 H129 111.6 . . ?
H128 C86 H129 109.4 . . ?
O6 C87 C86 110.1(11) . . ?
O6 C87 H130 109.6 . . ?
C86 C87 H130 109.6 . . ?
O6 C87 H131 109.6 . . ?
C86 C87 H131 109.6 . . ?
H130 C87 H131 108.1 . . ?
C84A O6A Li3 125(2) . . ?
O6A C84A C85A 102(3) . . ?
O6A C84A H132 111.3 . . ?
C85A C84A H132 111.3 . . ?
O6A C84A H133 111.3 . . ?
C85A C84A H133 111.3 . . ?
H132 C84A H133 109.2 . . ?
C86A C85A C84A 108(5) . . ?
C86A C85A H134 110.2 . . ?
C84A C85A H134 110.2 . . ?
C86A C85A H135 110.2 . . ?
C84A C85A H135 110.2 . . ?
H134 C85A H135 108.5 . . ?
C85A C86A H136 110 . . ?
C85A C86A H137 110 . . ?
H136 C86A H137 108.4 . . ?
C91 O7 C88 106.6(16) . . ?
C91 O7 Li3 117.7(17) . . ?
C88 O7 Li3 135.4(11) . . ?
O7 C88 C89 108.8(13) . . ?
O7 C88 H140 109.9 . . ?
C89 C88 H140 109.9 . . ?
O7 C88 H141 109.9 . . ?
C89 C88 H141 109.9 . . ?
H140 C88 H141 108.3 . . ?
C90 C89 C88 105.6(13) . . ?
C90 C89 H142 110.6 . . ?
C88 C89 H142 110.6 . . ?
C90 C89 H143 110.6 . . ?
C88 C89 H143 110.6 . . ?
H142 C89 H143 108.8 . . ?
C89 C90 C91 106.9(19) . . ?
C89 C90 H144 110.3 . . ?
C91 C90 H144 110.3 . . ?
C89 C90 H145 110.3 . . ?
C91 C90 H145 110.3 . . ?
H144 C90 H145 108.6 . . ?
O7 C91 C90 105(2) . . ?
O7 C91 H146 110.7 . . ?
C90 C91 H146 110.7 . . ?
O7 C91 H147 110.7 . . ?
C90 C91 H147 110.7 . . ?
H146 C91 H147 108.8 . . ?
C91A O7A C88A 106(2) . . ?
C91A O7A Li3 127(2) . . ?
C88A O7A Li3 127.1(17) . . ?
O7A C88A H148 113 . . ?
O7A C88A H149 113 . . ?
H148 C88A H149 110.4 . . ?
C91A C90A H152 110.5 . . ?
C91A C90A H153 110.5 . . ?
H152 C90A H153 108.7 . . ?
O7A C91A C90A 109(3) . . ?
O7A C91A H154 110 . . ?
C90A C91A H154 110 . . ?
O7A C91A H155 110 . . ?
C90A C91A H155 110 . . ?
H154 C91A H155 108.3 . . ?
C95 O8 C92 108(3) . . ?
C95 O8 Li3 121(3) . . ?
C92 O8 Li3 126.0(17) . . ?
O8 C92 C93 100.4(17) . . ?
O8 C92 H156 111.7 . . ?
C93 C92 H156 111.7 . . ?
O8 C92 H157 111.7 . . ?
C93 C92 H157 111.7 . . ?
H156 C92 H157 109.5 . . ?
C94 C93 C92 85.4(17) . . ?
C94 C93 H158 114.4 . . ?
C92 C93 H158 114.4 . . ?
C94 C93 H159 114.4 . . ?
C92 C93 H159 114.4 . . ?
H158 C93 H159 111.5 . . ?
C95 C94 C93 100(3) . . ?
C95 C94 H160 111.9 . . ?
C93 C94 H160 111.9 . . ?
C95 C94 H161 111.9 . . ?
C93 C94 H161 111.9 . . ?
H160 C94 H161 109.6 . . ?
O8 C95 C94 108(3) . . ?
O8 C95 H162 110.1 . . ?
C94 C95 H162 110.1 . . ?
O8 C95 H163 110.1 . . ?
C94 C95 H163 110.1 . . ?
H162 C95 H163 108.4 . . ?
C95A O8A C92A 104(4) . . ?
C95A O8A Li3 124(4) . . ?
C92A O8A Li3 132(2) . . ?
C93A C92A O8A 114(3) . . ?
C93A C92A H164 108.6 . . ?
O8A C92A H164 108.7 . . ?
C93A C92A H165 108.7 . . ?
O8A C92A H165 108.7 . . ?
H164 C92A H165 107.6 . . ?
C92A C93A C94A 98(3) . . ?
C92A C93A H166 112.1 . . ?
C94A C93A H166 112.1 . . ?
C92A C93A H167 112.1 . . ?
C94A C93A H167 112.1 . . ?
H166 C93A H167 109.7 . . ?
C95A C94A C93A 102(3) . . ?
C95A C94A H168 111.4 . . ?
C93A C94A H168 111.4 . . ?
C95A C94A H169 111.4 . . ?
C93A C94A H169 111.4 . . ?
H168 C94A H169 109.3 . . ?
O8A C95A C94A 105(5) . . ?
O8A C95A H170 110.8 . . ?
C94A C95A H170 110.8 . . ?
O8A C95A H171 110.8 . . ?
C94A C95A H171 110.8 . . ?
H170 C95A H171 108.9 . . ?
C99 O9 C96 99.6(12) . . ?
O9 C96 C97 108.9(11) . . ?
O9 C96 C99 39.3(9) . . ?
C97 C96 C99 75.7(11) . . ?
O9 C96 H172 109.9 . . ?
C97 C96 H172 109.9 . . ?
C99 C96 H172 143.2 . . ?
O9 C96 H173 109.9 . . ?
C97 C96 H173 109.9 . . ?
C99 C96 H173 103.1 . . ?
H172 C96 H173 108.3 . . ?
C98 C97 C96 103.2(14) . . ?
C98 C97 H174 111.1 . . ?
C96 C97 H174 111.1 . . ?
C98 C97 H175 111.1 . . ?
C96 C97 H175 111.1 . . ?
H174 C97 H175 109.1 . . ?
C97 C98 C99 101.4(16) . . ?
C97 C98 H176 111.5 . . ?
C99 C98 H176 111.5 . . ?
C97 C98 H177 111.5 . . ?
C99 C98 H177 111.5 . . ?
H176 C98 H177 109.3 . . ?
O9 C99 C98 115.3(19) . . ?
O9 C99 C96 41.1(8) . . ?
C98 C99 C96 79.2(12) . . ?
O9 C99 H178 108.5 . . ?
C98 C99 H178 108.5 . . ?
C96 C99 H178 104.3 . . ?
O9 C99 H179 108.5 . . ?
C98 C99 H179 108.5 . . ?
C96 C99 H179 142.5 . . ?
H178 C99 H179 107.5 . . ?
 
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion_publ_flag
C5 C1 C2 C3 -0.3(6) . . . . ?
C6 C1 C2 C3 175.4(5) . . . . ?
Dy1 C1 C2 C3 -66.2(4) . . . . ?
C5 C1 C2 Dy1 65.9(4) . . . . ?
C6 C1 C2 Dy1 -118.3(6) . . . . ?
C1 C2 C3 C4 -1.1(7) . . . . ?
Dy1 C2 C3 C4 -69.6(4) . . . . ?
C1 C2 C3 Dy1 68.6(4) . . . . ?
C2 C3 C4 C5 2.0(6) . . . . ?
Dy1 C3 C4 C5 -68.8(4) . . . . ?
C2 C3 C4 Dy1 70.8(4) . . . . ?
C3 C4 C5 C1 -2.2(6) . . . . ?
Dy1 C4 C5 C1 -70.2(4) . . . . ?
C3 C4 C5 Dy1 68.0(4) . . . . ?
C2 C1 C5 C4 1.5(6) . . . . ?
C6 C1 C5 C4 -174.0(5) . . . . ?
Dy1 C1 C5 C4 68.4(4) . . . . ?
C2 C1 C5 Dy1 -66.9(4) . . . . ?
C6 C1 C5 Dy1 117.6(6) . . . . ?
C11 C7 C8 C9 0.9(7) . . . . ?
C12 C7 C8 C9 -179.7(6) . . . . ?
Dy1 C7 C8 C9 -67.6(4) . . . . ?
C11 C7 C8 Dy1 68.5(4) . . . . ?
C12 C7 C8 Dy1 -112.0(6) . . . . ?
C7 C8 C9 C10 -0.2(7) . . . . ?
Dy1 C8 C9 C10 -66.8(4) . . . . ?
C7 C8 C9 Dy1 66.6(4) . . . . ?
C8 C9 C10 C11 -0.7(7) . . . . ?
Dy1 C9 C10 C11 -68.4(5) . . . . ?
C8 C9 C10 Dy1 67.7(4) . . . . ?
C9 C10 C11 C7 1.2(7) . . . . ?
Dy1 C10 C11 C7 -68.1(4) . . . . ?
C9 C10 C11 Dy1 69.3(5) . . . . ?
C8 C7 C11 C10 -1.3(7) . . . . ?
C12 C7 C11 C10 179.3(6) . . . . ?
Dy1 C7 C11 C10 68.3(4) . . . . ?
C8 C7 C11 Dy1 -69.5(4) . . . . ?
C12 C7 C11 Dy1 111.0(7) . . . . ?
C17 C13 C14 C15 -0.3(7) . . . . ?
C18 C13 C14 C15 176.3(6) . . . . ?
Dy2 C13 C14 C15 -67.3(4) . . . . ?
C17 C13 C14 Dy2 67.0(5) . . . . ?
C18 C13 C14 Dy2 -116.4(7) . . . . ?
C13 C14 C15 C16 0.4(7) . . . . ?
Dy2 C14 C15 C16 -69.3(4) . . . . ?
C13 C14 C15 Dy2 69.7(4) . . . . ?
C14 C15 C16 C17 -0.3(7) . . . . ?
Dy2 C15 C16 C17 -70.7(4) . . . . ?
C14 C15 C16 Dy2 70.4(4) . . . . ?
C14 C13 C17 C16 0.1(7) . . . . ?
C18 C13 C17 C16 -176.4(7) . . . . ?
Dy2 C13 C17 C16 66.5(5) . . . . ?
C14 C13 C17 Dy2 -66.4(5) . . . . ?
C18 C13 C17 Dy2 117.1(7) . . . . ?
C15 C16 C17 C13 0.1(7) . . . . ?
Dy2 C16 C17 C13 -68.8(5) . . . . ?
C15 C16 C17 Dy2 68.9(4) . . . . ?
C23 C19 C20 C21 -0.4(7) . . . . ?
C24 C19 C20 C21 176.6(7) . . . . ?
Dy2 C19 C20 C21 -67.2(4) . . . . ?
C23 C19 C20 Dy2 66.8(4) . . . . ?
C24 C19 C20 Dy2 -116.2(7) . . . . ?
C19 C20 C21 C22 0.7(7) . . . . ?
Dy2 C20 C21 C22 -66.9(4) . . . . ?
C19 C20 C21 Dy2 67.6(4) . . . . ?
C20 C21 C22 C23 -0.7(7) . . . . ?
Dy2 C21 C22 C23 -69.2(4) . . . . ?
C20 C21 C22 Dy2 68.5(4) . . . . ?
C21 C22 C23 C19 0.5(7) . . . . ?
Dy2 C22 C23 C19 -69.5(4) . . . . ?
C21 C22 C23 Dy2 70.0(4) . . . . ?
C20 C19 C23 C22 -0.1(7) . . . . ?
C24 C19 C23 C22 -177.1(7) . . . . ?
Dy2 C19 C23 C22 67.6(4) . . . . ?
C20 C19 C23 Dy2 -67.7(4) . . . . ?
C24 C19 C23 Dy2 115.2(7) . . . . ?
C29 C25 C26 C27 0.7(7) . . . . ?
C30 C25 C26 C27 -179.7(6) . . . . ?
Dy3 C25 C26 C27 -67.1(4) . . . . ?
C29 C25 C26 Dy3 67.7(4) . . . . ?
C30 C25 C26 Dy3 -112.6(6) . . . . ?
C25 C26 C27 C28 0.3(7) . . . . ?
Dy3 C26 C27 C28 -67.3(5) . . . . ?
C25 C26 C27 Dy3 67.7(4) . . . . ?
C26 C27 C28 C29 -1.2(8) . . . . ?
Dy3 C27 C28 C29 -69.7(5) . . . . ?
C26 C27 C28 Dy3 68.5(4) . . . . ?
C27 C28 C29 C25 1.7(8) . . . . ?
Dy3 C28 C29 C25 -68.2(5) . . . . ?
C27 C28 C29 Dy3 69.9(5) . . . . ?
C26 C25 C29 C28 -1.4(7) . . . . ?
C30 C25 C29 C28 179.0(6) . . . . ?
Dy3 C25 C29 C28 66.8(5) . . . . ?
C26 C25 C29 Dy3 -68.2(4) . . . . ?
C30 C25 C29 Dy3 112.2(7) . . . . ?
C35 C31 C32 C33 -1.3(7) . . . . ?
C36 C31 C32 C33 -177.2(6) . . . . ?
Dy3 C31 C32 C33 66.2(4) . . . . ?
C35 C31 C32 Dy3 -67.5(4) . . . . ?
C36 C31 C32 Dy3 116.6(7) . . . . ?
C31 C32 C33 C34 1.1(7) . . . . ?
Dy3 C32 C33 C34 68.7(4) . . . . ?
C31 C32 C33 Dy3 -67.6(4) . . . . ?
C32 C33 C34 C35 -0.5(6) . . . . ?
Dy3 C33 C34 C35 69.8(4) . . . . ?
C32 C33 C34 Dy3 -70.4(4) . . . . ?
C33 C34 C35 C31 -0.2(7) . . . . ?
Dy3 C34 C35 C31 69.1(4) . . . . ?
C33 C34 C35 Dy3 -69.3(4) . . . . ?
C32 C31 C35 C34 0.9(7) . . . . ?
C36 C31 C35 C34 177.0(6) . . . . ?
Dy3 C31 C35 C34 -67.4(4) . . . . ?
C32 C31 C35 Dy3 68.3(4) . . . . ?
C36 C31 C35 Dy3 -115.6(6) . . . . ?
Li1 P1 C37 C38 174.0(5) . . . . ?
Dy2 P1 C37 C38 90.6(5) . . . . ?
Dy1 P1 C37 C38 -101.3(5) . . . . ?
Li1 P1 C37 C42 -8.8(6) . . . . ?
Dy2 P1 C37 C42 -92.2(5) . . . . ?
Dy1 P1 C37 C42 75.9(5) . . . . ?
C42 C37 C38 C39 -0.6(8) . . . . ?
P1 C37 C38 C39 176.8(4) . . . . ?
C42 C37 C38 C43 180.0(5) . . . . ?
P1 C37 C38 C43 -2.6(8) . . . . ?
C37 C38 C39 C40 -0.7(9) . . . . ?
C43 C38 C39 C40 178.7(6) . . . . ?
C38 C39 C40 C41 1.4(10) . . . . ?
C38 C39 C40 C44 -178.6(6) . . . . ?
C39 C40 C41 C42 -0.8(10) . . . . ?
C44 C40 C41 C42 179.2(6) . . . . ?
C40 C41 C42 C37 -0.5(10) . . . . ?
C40 C41 C42 C45 -179.0(6) . . . . ?
C38 C37 C42 C41 1.1(8) . . . . ?
P1 C37 C42 C41 -176.2(5) . . . . ?
C38 C37 C42 C45 179.6(6) . . . . ?
P1 C37 C42 C45 2.3(8) . . . . ?
Li1 P2 C46 C47 2.8(6) . . . . ?
Dy3 P2 C46 C47 -91.5(4) . . . . ?
Dy2 P2 C46 C47 91.6(4) . . . . ?
Li1 P2 C46 C51 -172.9(4) . . . . ?
Dy3 P2 C46 C51 92.9(4) . . . . ?
Dy2 P2 C46 C51 -84.1(4) . . . . ?
C51 C46 C47 C48 2.2(7) . . . . ?
P2 C46 C47 C48 -173.6(4) . . . . ?
C51 C46 C47 C52 177.9(5) . . . . ?
P2 C46 C47 C52 2.1(7) . . . . ?
C46 C47 C48 C49 0.4(8) . . . . ?
C52 C47 C48 C49 -175.4(5) . . . . ?
C47 C48 C49 C50 -2.1(8) . . . . ?
C47 C48 C49 C53 179.1(5) . . . . ?
C48 C49 C50 C51 1.2(8) . . . . ?
C53 C49 C50 C51 179.9(5) . . . . ?
C49 C50 C51 C46 1.4(8) . . . . ?
C49 C50 C51 C54 178.9(5) . . . . ?
C47 C46 C51 C50 -3.0(7) . . . . ?
P2 C46 C51 C50 172.9(4) . . . . ?
C47 C46 C51 C54 179.6(5) . . . . ?
P2 C46 C51 C54 -4.4(7) . . . . ?
Li1 P3 C55 C56 166.9(4) . . . . ?
Dy3 P3 C55 C56 -98.2(4) . . . . ?
Dy1 P3 C55 C56 76.0(5) . . . . ?
Li1 P3 C55 C60 -12.1(6) . . . . ?
Dy3 P3 C55 C60 82.9(5) . . . . ?
Dy1 P3 C55 C60 -102.9(5) . . . . ?
C60 C55 C56 C57 1.9(8) . . . . ?
P3 C55 C56 C57 -177.1(5) . . . . ?
C60 C55 C56 C61 -178.1(5) . . . . ?
P3 C55 C56 C61 2.9(8) . . . . ?
C55 C56 C57 C58 -1.0(10) . . . . ?
C61 C56 C57 C58 179.0(6) . . . . ?
C56 C57 C58 C59 -1.1(11) . . . . ?
C56 C57 C58 C62 179.3(7) . . . . ?
C57 C58 C59 C60 2.3(11) . . . . ?
C62 C58 C59 C60 -178.0(7) . . . . ?
C58 C59 C60 C55 -1.4(10) . . . . ?
C58 C59 C60 C63 179.1(7) . . . . ?
C56 C55 C60 C59 -0.8(8) . . . . ?
P3 C55 C60 C59 178.2(5) . . . . ?
C56 C55 C60 C63 178.7(5) . . . . ?
P3 C55 C60 C63 -2.3(8) . . . . ?
C67 O1 C64 C65 8.6(9) . . . . ?
Li2 O1 C64 C65 -163.6(7) . . . . ?
O1 C64 C65 C66 -26.9(9) . . . . ?
C64 C65 C66 C67 34.0(8) . . . . ?
C64 O1 C67 C66 13.2(8) . . . . ?
Li2 O1 C67 C66 -174.5(6) . . . . ?
C65 C66 C67 O1 -29.5(7) . . . . ?
C71 O2 C68 C69 22.6(9) . . . . ?
Li2 O2 C68 C69 -172.1(6) . . . . ?
O2 C68 C69 C70 -18.4(9) . . . . ?
C68 C69 C70 C71 8.0(11) . . . . ?
C68 O2 C71 C70 -16.9(10) . . . . ?
Li2 O2 C71 C70 177.3(7) . . . . ?
C69 C70 C71 O2 5.1(11) . . . . ?
C75 O3 C72 C73 -20.0(11) . . . . ?
Li2 O3 C72 C73 142.1(8) . . . . ?
O3 C72 C73 C74 30.2(12) . . . . ?
C72 C73 C74 C75 -28.9(11) . . . . ?
C72 O3 C75 C74 2.0(9) . . . . ?
Li2 O3 C75 C74 -160.3(7) . . . . ?
C73 C74 C75 O3 17.0(10) . . . . ?
O3 Li2 O4 C76 161.0(12) . . . . ?
O2 Li2 O4 C76 42.1(16) . . . . ?
O1 Li2 O4 C76 -80.5(14) . . . . ?
O4A Li2 O4 C76 -77(6) . . . . ?
O3 Li2 O4 C79 -30.2(13) . . . . ?
O2 Li2 O4 C79 -149.0(10) . . . . ?
O1 Li2 O4 C79 88.4(13) . . . . ?
O4A Li2 O4 C79 92(6) . . . . ?
C79 O4 C76 C77 -11.5(12) . . . . ?
Li2 O4 C76 C77 158.9(11) . . . . ?
O4 C76 C77 C78 -7.8(11) . . . . ?
C76 C77 C78 C79 23.8(10) . . . . ?
C76 O4 C79 C78 26.7(13) . . . . ?
Li2 O4 C79 C78 -144.2(11) . . . . ?
C77 C78 C79 O4 -31.3(12) . . . . ?
C83 O5 C80 C81 -32.3(10) . . . . ?
Li3 O5 C80 C81 154.3(8) . . . . ?
O5 C80 C81 C82 39.3(10) . . . . ?
C80 C81 C82 C83 -30.5(11) . . . . ?
C80 O5 C83 C82 13.7(10) . . . . ?
Li3 O5 C83 C82 -173.1(8) . . . . ?
C81 C82 C83 O5 12.0(11) . . . . ?
C87 O6 C84 C85 31.8(16) . . . . ?
Li3 O6 C84 C85 -127.7(14) . . . . ?
O6 C84 C85 C86 -39.5(18) . . . . ?
C84 C85 C86 C87 31.0(19) . . . . ?
C84 O6 C87 C86 -7.3(15) . . . . ?
Li3 O6 C87 C86 155.3(12) . . . . ?
C85 C86 C87 O6 -14.7(18) . . . . ?
O5 Li3 O6A C84A -92(3) . . . . ?
O8 Li3 O6A C84A 136(3) . . . . ?
O7A Li3 O6A C84A 32(3) . . . . ?
O8A Li3 O6A C84A 145(3) . . . . ?
O6 Li3 O6A C84A -132(4) . . . . ?
O7 Li3 O6A C84A 29(3) . . . . ?
Li3 O6A C84A C85A 170(2) . . . . ?
O6A C84A C85A C86A -9(6) . . . . ?
C91 O7 C88 C89 -3(2) . . . . ?
Li3 O7 C88 C89 -176.2(15) . . . . ?
O7 C88 C89 C90 19(2) . . . . ?
C88 C89 C90 C91 -26(3) . . . . ?
C88 O7 C91 C90 -13(3) . . . . ?
Li3 O7 C91 C90 161.9(17) . . . . ?
C89 C90 C91 O7 25(3) . . . . ?
C88A O7A C91A C90A 25(4) . . . . ?
Li3 O7A C91A C90A -157(3) . . . . ?
C95 O8 C92 C93 -32(2) . . . . ?
Li3 O8 C92 C93 124.3(17) . . . . ?
O8 C92 C93 C94 52(2) . . . . ?
C92 C93 C94 C95 -55(2) . . . . ?
C92 O8 C95 C94 -7(3) . . . . ?
Li3 O8 C95 C94 -163.9(17) . . . . ?
C93 C94 C95 O8 45(3) . . . . ?
C95A O8A C92A C93A 38(4) . . . . ?
Li3 O8A C92A C93A -153(3) . . . . ?
O8A C92A C93A C94A -43(4) . . . . ?
C92A C93A C94A C95A 33(4) . . . . ?
C92A O8A C95A C94A -9(3) . . . . ?
Li3 O8A C95A C94A -180(2) . . . . ?
C93A C94A C95A O8A -11(4) . . . . ?
C99 O9 C96 C97 -34.0(16) . . . . ?
O9 C96 C97 C98 26.5(17) . . . . ?
C99 C96 C97 C98 5.1(15) . . . . ?
C96 C97 C98 C99 -7(2) . . . . ?
C96 O9 C99 C98 31(2) . . . . ?
C97 C98 C99 O9 -15(3) . . . . ?
C97 C98 C99 C96 5.1(16) . . . . ?
 
# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./
 
# END of CIF
data_4
_audit_creation_date              2014-04-03
_audit_creation_method
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number            2012-9
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.
;
_chemical_name_common             ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety          'C18 H21 Y, C9 H13 P'
_chemical_formula_sum             'C27 H34 P Y'
_chemical_formula_weight          478.42
_chemical_melting_point           ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Y' 'Y' -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system       'monoclinic'
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 1 21/n 1'
_space_group_name_Hall            '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                    8.1790(6)
_cell_length_b                    24.6788(18)
_cell_length_c                    11.5031(10)
_cell_angle_alpha                 90
_cell_angle_beta                  94.707(6)
_cell_angle_gamma                 90
_cell_volume                      2314.0(3)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     ?
_cell_measurement_temperature     100(2)
_cell_measurement_theta_max       ?
_cell_measurement_theta_min       ?
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     2.600
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_type    'none'
_exptl_absorpt_process_details    ?
_exptl_crystal_colour             ?
_exptl_crystal_density_diffrn     1.373
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        'block'
_exptl_crystal_F_000              1000
_exptl_crystal_size_max           0.2
_exptl_crystal_size_mid           0.1
_exptl_crystal_size_min           0.05
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0645
_diffrn_reflns_av_unetI/netI      0.1075
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max        9
_diffrn_reflns_limit_h_min        -10
_diffrn_reflns_limit_k_max        30
_diffrn_reflns_limit_k_min        -25
_diffrn_reflns_limit_l_max        14
_diffrn_reflns_limit_l_min        -13
_diffrn_reflns_number             9217
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full         26.000
_diffrn_reflns_theta_max          26.371
_diffrn_reflns_theta_min          2.945
_diffrn_ambient_temperature       100(2)
_diffrn_detector_area_resol_mean  ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type   'multiwire proportional'
_diffrn_measurement_method        'phi and omega scans'
_diffrn_radiation_monochromator   'graphite'
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    ?
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 3182
_reflns_number_total              4724
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement        ?
_computing_data_collection        ?
_computing_data_reduction         ?
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'XL (Sheldrick, 2008)'
_computing_structure_solution     'XS (Sheldrick, 2008)'
_refine_diff_density_max          0.755
_refine_diff_density_min          -0.911
_refine_diff_density_rms          0.143
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.028
_refine_ls_hydrogen_treatment     mixed
_refine_ls_matrix_type            full
_refine_ls_number_parameters      286
_refine_ls_number_reflns          4724
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0971
_refine_ls_R_factor_gt            0.0529
_refine_ls_restrained_S_all       1.028
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0574P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1082
_refine_ls_wR_factor_ref          0.1415
_refine_special_details
;
 ?
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C5, C5A}
{C4, C4A}
{C3, C3A}
{C2, C2A}
{C1, C1A}
3. Uiso/Uaniso restraints and constraints
Uanis(C5) = Uanis(C5A)
Uanis(C4) = Uanis(C4A)
Uanis(C3) = Uanis(C3A)
Uanis(C2) = Uanis(C2A)
Uanis(C1) = Uanis(C1A)
4. Others
 Fixed Sof: C1(0.5) H1(0.5) C2(0.5) H2(0.5) C3(0.5) H3(0.5) C4(0.5) H4(0.5)
 C5(0.5) C6(0.5) H6a(0.5) H6b(0.5) H6c(0.5) C1A(0.5) H1A(0.5) C2A(0.5) C3A(0.5)
 H3A(0.5) C4A(0.5) H4A(0.5) C5A(0.5) H5A(0.5) C6A(0.5) H6Aa(0.5) H6Ab(0.5)
 H6Ac(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C1A(H1A), C3A(H3A), C4A(H4A), C5A(H5A),
 C7(H7), C8(H8), C9(H9), C10(H10), C13(H13), C14(H14), C15(H15), C16(H16),
 C21(H21), C23(H23)
5.b Idealised Me refined as rotating group:
 C6(H6a,H6b,H6c), C6A(H6Aa,H6Ab,H6Ac), C12(H12a,H12b,H12c), C18(H18a,H18b,
 H18c), C25(H25a,H25b,H25c), C26(H26a,H26b,H26c), C27(H27a,H27b,H27c)
;
_atom_sites_solution_hydrogens    mixed
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 C1 C 0.5049(6) 0.1542(3) 0.5089(6) 0.0498(18) Uani 0.5 1 d . . P A 1
 H1 H 0.4893 0.1542 0.4279 0.060 Uiso 0.5 1 calc R . P A 1
 C2 C 0.5274(7) 0.2001(3) 0.5778(7) 0.055(2) Uani 0.5 1 d . . P A 1
 H2 H 0.5332 0.2357 0.5515 0.066 Uiso 0.5 1 calc R . P A 1
 C3 C 0.5399(6) 0.1830(2) 0.6948(6) 0.0477(17) Uani 0.5 1 d . . P A 1
 H3 H 0.5517 0.2053 0.7600 0.057 Uiso 0.5 1 calc R . P A 1
 C4 C 0.5315(6) 0.1266(2) 0.6957(6) 0.0412(15) Uani 0.5 1 d . . P A 1
 H4 H 0.5395 0.1050 0.7623 0.049 Uiso 0.5 1 calc R . P A 1
 C5 C 0.5090(6) 0.1070(3) 0.5796(6) 0.0464(17) Uani 0.5 1 d . . P A 1
 C6 C 0.4913(12) 0.0427(4) 0.5330(9) 0.028(2) Uani 0.5 1 d . . P A 1
 H6A H 0.3924 0.0272 0.5579 0.043 Uiso 0.5 1 calc GR . P A 1
 H6B H 0.5840 0.0221 0.5649 0.043 Uiso 0.5 1 calc GR . P A 1
 H6C H 0.4876 0.0420 0.4493 0.043 Uiso 0.5 1 calc GR . P A 1
 C1A C 0.5049(6) 0.1542(3) 0.5089(6) 0.0498(18) Uani 0.5 1 d . . P A 2
 H1A H 0.4893 0.1542 0.4279 0.060 Uiso 0.5 1 calc R . P A 2
 C2A C 0.5274(7) 0.2001(3) 0.5778(7) 0.055(2) Uani 0.5 1 d . . P A 2
 C3A C 0.5399(6) 0.1830(2) 0.6948(6) 0.0477(17) Uani 0.5 1 d . . P A 2
 H3A H 0.5517 0.2053 0.7600 0.057 Uiso 0.5 1 calc R . P A 2
 C4A C 0.5315(6) 0.1266(2) 0.6957(6) 0.0412(15) Uani 0.5 1 d . . P A 2
 H4A H 0.5395 0.1050 0.7623 0.049 Uiso 0.5 1 calc R . P A 2
 C5A C 0.5090(6) 0.1070(3) 0.5796(6) 0.0464(17) Uani 0.5 1 d . . P A 2
 H5A H 0.4991 0.0712 0.5552 0.056 Uiso 0.5 1 calc R . P A 2
 C6A C 0.5246(14) 0.2640(5) 0.5684(10) 0.046(3) Uani 0.5 1 d . . P A 2
 H6AA H 0.5700 0.2749 0.4977 0.069 Uiso 0.5 1 calc GR . P A 2
 H6AB H 0.5886 0.2792 0.6341 0.069 Uiso 0.5 1 calc GR . P A 2
 H6AC H 0.4135 0.2766 0.5677 0.069 Uiso 0.5 1 calc GR . P A 2
 C7 C 1.1021(6) 0.2056(2) 0.6515(4) 0.0282(12) Uani 1 1 d . . . . .
 H7 H 1.1917 0.1975 0.6097 0.034 Uiso 1 1 calc R . . . .
 C8 C 1.0656(7) 0.1809(2) 0.7560(5) 0.0398(15) Uani 1 1 d . . . . .
 H8 H 1.1251 0.1534 0.7954 0.048 Uiso 1 1 calc R . . . .
 C9 C 0.9232(9) 0.2053(3) 0.7896(5) 0.056(2) Uani 1 1 d . . . . .
 H9 H 0.8697 0.1963 0.8553 0.068 Uiso 1 1 calc R . . . .
 C10 C 0.8753(7) 0.2444(2) 0.7108(6) 0.0538(19) Uani 1 1 d . . . . .
 H10 H 0.7864 0.2676 0.7158 0.065 Uiso 1 1 calc R . . . .
 C11 C 0.9819(6) 0.2443(2) 0.6202(4) 0.0312(12) Uani 1 1 d . . . . .
 C12 C 0.9775(7) 0.2832(2) 0.5210(5) 0.0465(15) Uani 1 1 d . . . . .
 H12A H 1.0240 0.3171 0.5477 0.070 Uiso 1 1 calc GR . . . .
 H12B H 0.8659 0.2887 0.4906 0.070 Uiso 1 1 calc GR . . . .
 H12C H 1.0397 0.2688 0.4609 0.070 Uiso 1 1 calc GR . . . .
 C13 C 0.7843(7) 0.0941(2) 0.3920(4) 0.0388(14) Uani 1 1 d . . . . .
 H13 H 0.6798 0.0824 0.3652 0.047 Uiso 1 1 calc R . . . .
 C14 C 0.8970(6) 0.0645(2) 0.4647(4) 0.0302(12) Uani 1 1 d . . . . .
 H14 H 0.8799 0.0303 0.4954 0.036 Uiso 1 1 calc R . . . .
 C15 C 1.0397(6) 0.0955(2) 0.4830(4) 0.0280(12) Uani 1 1 d . . . . .
 H15 H 1.1346 0.0856 0.5280 0.034 Uiso 1 1 calc R . . . .
 C16 C 1.0143(6) 0.1445(2) 0.4210(4) 0.0285(12) Uani 1 1 d . . . . .
 H16 H 1.0909 0.1722 0.4173 0.034 Uiso 1 1 calc R . . . .
 C17 C 0.8542(7) 0.1447(2) 0.3654(4) 0.0354(14) Uani 1 1 d . . . . .
 C18 C 0.7789(8) 0.1878(2) 0.2867(5) 0.0499(17) Uani 1 1 d . . . . .
 H18A H 0.8541 0.1976 0.2305 0.075 Uiso 1 1 calc GR . . . .
 H18B H 0.7548 0.2190 0.3321 0.075 Uiso 1 1 calc GR . . . .
 H18C H 0.6793 0.1743 0.2470 0.075 Uiso 1 1 calc GR . . . .
 C19 C 1.0138(5) 0.06010(18) 0.8994(4) 0.0182(10) Uani 1 1 d . . . . .
 C20 C 0.9466(6) 0.08023(19) 0.9995(4) 0.0218(11) Uani 1 1 d . . . . .
 C21 C 1.0482(6) 0.08871(19) 1.1001(4) 0.0245(11) Uani 1 1 d . . . . .
 H21 H 1.0027 0.1012 1.1665 0.029 Uiso 1 1 calc R . . . .
 C22 C 1.2160(6) 0.07920(19) 1.1050(4) 0.0224(11) Uani 1 1 d . . . . .
 C23 C 1.2787(5) 0.05868(19) 1.0062(4) 0.0213(11) Uani 1 1 d . . . . .
 H23 H 1.3903 0.0512 1.0086 0.026 Uiso 1 1 calc R . . . .
 C24 C 1.1814(5) 0.04862(19) 0.9027(4) 0.0194(10) Uani 1 1 d . . . . .
 C25 C 1.2597(5) 0.0253(2) 0.7991(4) 0.0251(11) Uani 1 1 d . . . . .
 H25A H 1.2094 -0.0089 0.7780 0.038 Uiso 1 1 calc GR . . . .
 H25B H 1.3749 0.0200 0.8190 0.038 Uiso 1 1 calc GR . . . .
 H25C H 1.2445 0.0499 0.7344 0.038 Uiso 1 1 calc GR . . . .
 C26 C 0.7660(6) 0.0921(2) 1.0001(4) 0.0338(13) Uani 1 1 d . . . . .
 H26A H 0.7357 0.1197 0.9435 0.051 Uiso 1 1 calc GR . . . .
 H26B H 0.7428 0.1045 1.0761 0.051 Uiso 1 1 calc GR . . . .
 H26C H 0.7044 0.0597 0.9811 0.051 Uiso 1 1 calc GR . . . .
 C27 C 1.3258(6) 0.0902(2) 1.2136(4) 0.0325(13) Uani 1 1 d . . . . .
 H27A H 1.3628 0.1271 1.2130 0.049 Uiso 1 1 calc GR . . . .
 H27B H 1.4186 0.0663 1.2163 0.049 Uiso 1 1 calc GR . . . .
 H27C H 1.2660 0.0842 1.2809 0.049 Uiso 1 1 calc GR . . . .
 p1 P 0.88556(15) 0.05528(5) 0.76166(11) 0.0232(3) Uani 1 1 d . . . . .
 Y1 Y 0.81881(5) 0.14987(2) 0.59943(4) 0.02102(16) Uani 1 1 d . . . . .
 H2A H 0.949(5) 0.014(2) 0.713(4) 0.036(14) Uiso 1 1 d . . . . .
 H2B H 0.764(6) 0.029(2) 0.796(4) 0.038(14) Uiso 1 1 d . . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 C1 C2 1.387(9) . ?
 C1 C5 1.418(8) . ?
 C1 Y1 2.692(5) . ?
 C2 C3 1.407(9) . ?
 C2 Y1 2.680(5) . ?
 C3 C4 1.394(8) . ?
 C3 Y1 2.736(5) . ?
 C4 C5 1.417(8) . ?
 C4 Y1 2.740(5) . ?
 C5 C6 1.678(11) . ?
 C5 Y1 2.738(5) . ?
 C7 C8 1.402(7) . ?
 C7 C11 1.397(7) . ?
 C7 Y1 2.718(5) . ?
 C8 C9 1.394(8) . ?
 C8 Y1 2.703(5) . ?
 C9 C10 1.360(9) . ?
 C9 Y1 2.661(6) . ?
 C10 C11 1.413(7) . ?
 C10 Y1 2.684(6) . ?
 C11 C12 1.488(7) . ?
 C11 Y1 2.686(5) . ?
 C13 C14 1.398(7) . ?
 C13 C17 1.418(8) . ?
 C13 Y1 2.749(5) . ?
 C14 C15 1.397(7) . ?
 C14 Y1 2.722(5) . ?
 C15 C16 1.410(7) . ?
 C15 Y1 2.694(4) . ?
 C16 C17 1.410(7) . ?
 C16 Y1 2.707(5) . ?
 C17 C18 1.494(7) . ?
 C17 Y1 2.734(5) . ?
 C19 C20 1.407(6) . ?
 C19 C24 1.397(6) . ?
 C19 p1 1.831(4) . ?
 C20 C21 1.384(6) . ?
 C20 C26 1.507(6) . ?
 C21 C22 1.389(6) . ?
 C22 C23 1.381(6) . ?
 C22 C27 1.502(6) . ?
 C23 C24 1.399(6) . ?
 C24 C25 1.514(6) . ?
 p1 Y1 3.0103(14) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C2 C1 C5 110.3(6) . . ?
 C2 C1 Y1 74.6(3) . . ?
 C5 C1 Y1 76.6(3) . . ?
 C1 C2 C3 107.2(5) . . ?
 C1 C2 Y1 75.5(3) . . ?
 C3 C2 Y1 77.1(3) . . ?
 C2 C3 Y1 72.8(3) . . ?
 C4 C3 C2 108.0(6) . . ?
 C4 C3 Y1 75.4(3) . . ?
 C3 C4 C5 109.6(6) . . ?
 C3 C4 Y1 75.1(3) . . ?
 C5 C4 Y1 74.9(3) . . ?
 C1 C5 C6 126.5(7) . . ?
 C1 C5 Y1 73.1(3) . . ?
 C4 C5 C1 104.9(6) . . ?
 C4 C5 C6 128.6(6) . . ?
 C4 C5 Y1 75.1(3) . . ?
 C6 C5 Y1 116.5(4) . . ?
 C8 C7 Y1 74.4(3) . . ?
 C11 C7 C8 108.9(5) . . ?
 C11 C7 Y1 73.8(3) . . ?
 C7 C8 Y1 75.6(3) . . ?
 C9 C8 C7 107.0(6) . . ?
 C9 C8 Y1 73.3(3) . . ?
 C8 C9 Y1 76.6(3) . . ?
 C10 C9 C8 108.9(5) . . ?
 C10 C9 Y1 76.2(4) . . ?
 C9 C10 C11 109.2(6) . . ?
 C9 C10 Y1 74.3(3) . . ?
 C11 C10 Y1 74.8(3) . . ?
 C7 C11 C10 106.0(5) . . ?
 C7 C11 C12 127.7(5) . . ?
 C7 C11 Y1 76.3(3) . . ?
 C10 C11 C12 125.9(6) . . ?
 C10 C11 Y1 74.6(3) . . ?
 C12 C11 Y1 120.7(3) . . ?
 C14 C13 C17 109.4(5) . . ?
 C14 C13 Y1 74.1(3) . . ?
 C17 C13 Y1 74.4(3) . . ?
 C13 C14 Y1 76.3(3) . . ?
 C15 C14 C13 107.8(5) . . ?
 C15 C14 Y1 73.9(3) . . ?
 C14 C15 C16 107.8(4) . . ?
 C14 C15 Y1 76.2(3) . . ?
 C16 C15 Y1 75.4(3) . . ?
 C15 C16 Y1 74.3(3) . . ?
 C17 C16 C15 109.0(5) . . ?
 C17 C16 Y1 76.1(3) . . ?
 C13 C17 C18 127.1(5) . . ?
 C13 C17 Y1 75.6(3) . . ?
 C16 C17 C13 105.9(5) . . ?
 C16 C17 C18 126.8(6) . . ?
 C16 C17 Y1 73.9(3) . . ?
 C18 C17 Y1 119.5(3) . . ?
 C20 C19 p1 119.8(3) . . ?
 C24 C19 C20 119.9(4) . . ?
 C24 C19 p1 120.1(3) . . ?
 C19 C20 C26 121.5(4) . . ?
 C21 C20 C19 119.3(4) . . ?
 C21 C20 C26 119.2(4) . . ?
 C20 C21 C22 122.2(4) . . ?
 C21 C22 C27 121.7(4) . . ?
 C23 C22 C21 117.4(4) . . ?
 C23 C22 C27 120.9(4) . . ?
 C22 C23 C24 122.8(4) . . ?
 C19 C24 C23 118.4(4) . . ?
 C19 C24 C25 122.2(4) . . ?
 C23 C24 C25 119.4(4) . . ?
 C19 p1 Y1 123.23(15) . . ?
 C1 Y1 C7 146.49(18) . . ?
 C1 Y1 C8 152.0(2) . . ?
 C1 Y1 C14 94.1(2) . . ?
 C1 Y1 C15 118.99(19) . . ?
 C1 Y1 C16 108.22(18) . . ?
 C2 Y1 C1 29.9(2) . . ?
 C2 Y1 C7 121.4(2) . . ?
 C2 Y1 C8 122.7(2) . . ?
 C2 Y1 C10 76.1(2) . . ?
 C2 Y1 C11 92.18(19) . . ?
 C2 Y1 C14 123.6(2) . . ?
 C2 Y1 C15 144.3(2) . . ?
 C2 Y1 C16 121.89(18) . . ?
 C7 Y1 C14 106.32(16) . . ?
 C8 Y1 C7 29.98(14) . . ?
 C8 Y1 C14 113.65(17) . . ?
 C8 Y1 C16 93.67(16) . . ?
 C9 Y1 C1 122.0(2) . . ?
 C9 Y1 C2 93.5(2) . . ?
 C9 Y1 C7 49.36(16) . . ?
 C9 Y1 C8 30.10(18) . . ?
 C9 Y1 C10 29.47(19) . . ?
 C9 Y1 C11 50.01(17) . . ?
 C9 Y1 C14 142.3(2) . . ?
 C9 Y1 C15 118.80(18) . . ?
 C9 Y1 C16 118.62(17) . . ?
 C10 Y1 C1 105.8(2) . . ?
 C10 Y1 C7 49.07(17) . . ?
 C10 Y1 C8 49.1(2) . . ?
 C10 Y1 C11 30.52(15) . . ?
 C10 Y1 C14 154.87(16) . . ?
 C10 Y1 C15 125.04(16) . . ?
 C10 Y1 C16 108.38(16) . . ?
 C11 Y1 C1 116.81(19) . . ?
 C11 Y1 C7 29.94(15) . . ?
 C11 Y1 C8 49.98(17) . . ?
 C11 Y1 C14 125.72(16) . . ?
 C11 Y1 C15 97.34(16) . . ?
 C11 Y1 C16 77.87(16) . . ?
 C15 Y1 C7 76.52(16) . . ?
 C15 Y1 C8 88.73(17) . . ?
 C15 Y1 C14 29.90(14) . . ?
 C15 Y1 C16 30.27(14) . . ?
 C16 Y1 C7 69.26(15) . . ?
 C16 Y1 C14 49.41(16) . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 C1 C2 C3 C4 2.4(6) . . . . ?
 C1 C2 C3 Y1 70.2(4) . . . . ?
 C2 C1 C5 C4 1.3(6) . . . . ?
 C2 C1 C5 C6 -178.5(6) . . . . ?
 C2 C1 C5 Y1 -67.7(4) . . . . ?
 C2 C3 C4 C5 -1.6(6) . . . . ?
 C2 C3 C4 Y1 66.0(4) . . . . ?
 C3 C4 C5 C1 0.2(6) . . . . ?
 C3 C4 C5 C6 -180.0(6) . . . . ?
 C3 C4 C5 Y1 67.8(4) . . . . ?
 C5 C1 C2 C3 -2.3(6) . . . . ?
 C5 C1 C2 Y1 69.0(4) . . . . ?
 C7 C8 C9 C10 -1.4(6) . . . . ?
 C7 C8 C9 Y1 68.7(3) . . . . ?
 C8 C7 C11 C10 2.6(6) . . . . ?
 C8 C7 C11 C12 174.9(5) . . . . ?
 C8 C7 C11 Y1 -66.7(3) . . . . ?
 C8 C9 C10 C11 3.0(7) . . . . ?
 C8 C9 C10 Y1 70.4(4) . . . . ?
 C9 C10 C11 C7 -3.5(6) . . . . ?
 C9 C10 C11 C12 -175.9(5) . . . . ?
 C9 C10 C11 Y1 67.0(4) . . . . ?
 C11 C7 C8 C9 -0.8(6) . . . . ?
 C11 C7 C8 Y1 66.3(3) . . . . ?
 C13 C14 C15 C16 0.0(5) . . . . ?
 C13 C14 C15 Y1 69.4(3) . . . . ?
 C14 C13 C17 C16 1.8(6) . . . . ?
 C14 C13 C17 C18 177.3(5) . . . . ?
 C14 C13 C17 Y1 -66.5(4) . . . . ?
 C14 C15 C16 C17 1.1(5) . . . . ?
 C14 C15 C16 Y1 69.9(3) . . . . ?
 C15 C16 C17 C13 -1.7(5) . . . . ?
 C15 C16 C17 C18 -177.3(5) . . . . ?
 C15 C16 C17 Y1 67.7(3) . . . . ?
 C17 C13 C14 C15 -1.1(6) . . . . ?
 C17 C13 C14 Y1 66.7(4) . . . . ?
 C19 C20 C21 C22 1.5(7) . . . . ?
 C20 C19 C24 C23 -1.3(7) . . . . ?
 C20 C19 C24 C25 178.0(4) . . . . ?
 C20 C19 p1 Y1 82.0(4) . . . . ?
 C20 C21 C22 C23 -2.5(7) . . . . ?
 C20 C21 C22 C27 178.1(5) . . . . ?
 C21 C22 C23 C24 1.5(7) . . . . ?
 C22 C23 C24 C19 0.3(7) . . . . ?
 C22 C23 C24 C25 -179.1(4) . . . . ?
 C24 C19 C20 C21 0.4(7) . . . . ?
 C24 C19 C20 C26 -178.8(5) . . . . ?
 C24 C19 p1 Y1 -92.1(4) . . . . ?
 C26 C20 C21 C22 -179.2(5) . . . . ?
 C27 C22 C23 C24 -179.0(5) . . . . ?
 p1 C19 C20 C21 -173.7(4) . . . . ?
 p1 C19 C20 C26 7.1(6) . . . . ?
 p1 C19 C24 C23 172.8(4) . . . . ?
 p1 C19 C24 C25 -7.9(6) . . . . ?
 Y1 C1 C2 C3 -71.3(4) . . . . ?
 Y1 C1 C5 C4 69.0(3) . . . . ?
 Y1 C1 C5 C6 -110.8(6) . . . . ?
 Y1 C2 C3 C4 -67.8(4) . . . . ?
 Y1 C3 C4 C5 -67.7(4) . . . . ?
 Y1 C4 C5 C1 -67.5(3) . . . . ?
 Y1 C4 C5 C6 112.3(6) . . . . ?
 Y1 C7 C8 C9 -67.1(4) . . . . ?
 Y1 C7 C11 C10 69.3(4) . . . . ?
 Y1 C7 C11 C12 -118.4(5) . . . . ?
 Y1 C8 C9 C10 -70.1(4) . . . . ?
 Y1 C9 C10 C11 -67.3(4) . . . . ?
 Y1 C10 C11 C7 -70.5(3) . . . . ?
 Y1 C10 C11 C12 117.0(5) . . . . ?
 Y1 C13 C14 C15 -67.8(3) . . . . ?
 Y1 C13 C17 C16 68.2(3) . . . . ?
 Y1 C13 C17 C18 -116.3(5) . . . . ?
 Y1 C14 C15 C16 -69.4(3) . . . . ?
 Y1 C15 C16 C17 -68.8(3) . . . . ?
 Y1 C16 C17 C13 -69.4(4) . . . . ?
 Y1 C16 C17 C18 115.1(5) . . . . ?

data_5
_audit_creation_date              2014-04-24
_audit_creation_method
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number            2013-2
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common             ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety          'C60 H71.5 P3 Y3, C7 H8, 0.5(C6 H7)'
_chemical_formula_sum             'C70 H83 P3 Y3'
_chemical_formula_weight          1284.00
_chemical_melting_point           ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Y' 'Y' -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system       'monoclinic'
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 1 21/c 1'
_space_group_name_Hall            '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                    11.6328(4)
_cell_length_b                    25.0914(10)
_cell_length_c                    21.5705(7)
_cell_angle_alpha                 90
_cell_angle_beta                  91.002(3)
_cell_angle_gamma                 90
_cell_volume                      6295.1(4)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     ?
_cell_measurement_temperature     150(2)
_cell_measurement_theta_max       ?
_cell_measurement_theta_min       ?
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     2.859
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_type    'none'
_exptl_absorpt_process_details    ?
_exptl_crystal_colour             ?
_exptl_crystal_density_diffrn     1.355
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        'block'
_exptl_crystal_F_000              2660
_exptl_crystal_size_max           0.1
_exptl_crystal_size_mid           0.05
_exptl_crystal_size_min           0.02
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0456
_diffrn_reflns_av_unetI/netI      0.0614
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_h_min        -14
_diffrn_reflns_limit_k_max        31
_diffrn_reflns_limit_k_min        -28
_diffrn_reflns_limit_l_max        26
_diffrn_reflns_limit_l_min        -21
_diffrn_reflns_number             37554
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full         25.242
_diffrn_reflns_theta_max          26.373
_diffrn_reflns_theta_min          3.730
_diffrn_ambient_temperature       150(2)
_diffrn_detector_area_resol_mean  ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type   'multiwire proportional'
_diffrn_measurement_method        'phi and omega scans'
_diffrn_radiation_monochromator   'graphite'
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    ?
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 8982
_reflns_number_total              12814
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement        ?
_computing_data_collection        ?
_computing_data_reduction         ?
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2008)'
_computing_structure_solution     'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max          0.830
_refine_diff_density_min          -2.032
_refine_diff_density_rms          0.096
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.039
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      729
_refine_ls_number_reflns          12814
_refine_ls_number_restraints      178
_refine_ls_R_factor_all           0.0937
_refine_ls_R_factor_gt            0.0570
_refine_ls_restrained_S_all       1.042
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0732P)²+12.8808P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1423
_refine_ls_wR_factor_ref          0.1604
_refine_special_details
;
 ?
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C1A, C2A, C2M, C2K, C2J, C2I, C2C
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C1F, C1E, C1D, C1C, C1B, C1G
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C1A \\sim C2A \\sim C2M \\sim C2K \\sim C2J \\sim C2I \\sim C2C: within 1.7A
with sigma of 0.04 and sigma for terminal atoms of 0.08
C1D \\sim C1C \\sim C1B \\sim C1F \\sim C1E \\sim C1G: within 1.7A with sigma
of 0.04 and sigma for terminal atoms of 0.08
Uanis(C43) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C100) \\sim Ueq, Uanis(C101) \\sim Ueq, Uanis(C102) \\sim Ueq,
Uanis(C103) \\sim Ueq, Uanis(C104) \\sim Ueq, Uanis(C105) \\sim Ueq, Uanis(C1B)
\\sim Ueq, Uanis(C1C) \\sim Ueq, Uanis(C1D) \\sim Ueq, Uanis(C1E) \\sim Ueq,
Uanis(C1F) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: C100(0.5) H100(0.5) C101(0.5) H101(0.5) C102(0.5) H102(0.5)
 C103(0.5) H103(0.5) C104(0.5) C105(0.5) H10A(0.5) H10B(0.5) H10C(0.5) C1B(0.5)
 H1B(0.5) C1C(0.5) H1C(0.5) C1D(0.5) H1D(0.5) C1E(0.5) C1F(0.5) H1F(0.5)
 C1G(0.5) H1GA(0.5) H1GB(0.5) H1GC(0.5)
 Fixed U11: C27(0.089835) C1G(0.089937) C1H(0.090462) C6(0.089569)
 C12(0.090479) C1I(0.090136)
 Fixed U22: C27(0.09) C1G(0.09) C1H(0.09) C6(0.09) C12(0.09) C1I(0.09)
 Fixed U33: C27(0.09) C1G(0.09) C1H(0.09) C6(0.09) C12(0.09) C1I(0.09)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C15(H15),
 C17(H17), C22(H22), C23(H23), C24(H24), C25(H25), C28(H28), C29(H29), C30(H30),
  C31(H31), C36(H36), C38(H38), C43(H43), C44(H44), C45(H45), C46(H46),
 C51(H51), C53(H53), C100(H100), C101(H101), C102(H102), C103(H103), C1A(H1A),
 C2A(H2A), C2I(H2I), C2J(H2J), C2K(H2K), C1B(H1B), C1C(H1C), C1D(H1D), C1F(H1F)
5.b Fitted pentagon refined as free rotating group:
 C100(C101,C102,C103,C104)
5.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C27(H27A,H27B,
 H27C), C40(H40A,H40B,H40C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C55(H55A,
 H55B,H55C), C56(H56A,H56B,H56C), C57(H57A,H57B,H57C), C105(H10A,H10B,H10C),
 C2C(H2CA,H2CB,H2CC), C1G(H1GA,H1GB,H1GC), C1H(H1HA,H1HB,H1HC), C6(H6A,H6B,H6C),
  C12(H12A,H12B,H12C), C1I(H1IA,H1IB,H1IC)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      heavy
_atom_sites_solution_secondary    ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Y1 Y 0.06427(4) 0.13452(2) 0.14577(2) 0.03039(13) Uani 1 1 d . . . A 2
 Y2 Y 0.07405(4) 0.32961(2) 0.25910(2) 0.03221(13) Uani 1 1 d . . . A 2
 Y3 Y 0.41232(4) 0.27681(2) 0.10001(2) 0.03419(14) Uani 1 1 d . . . A 2
 P1 P 0.03676(17) 0.21439(6) 0.24306(7) 0.0548(5) Uani 1 1 d . . . A 2
 P2 P 0.30871(13) 0.32087(9) 0.21155(8) 0.0644(6) Uani 1 1 d . . . A 2
 P3 P 0.30061(12) 0.17530(6) 0.13341(7) 0.0429(4) Uani 1 1 d . . . A 2
 C1 C 0.0965(6) 0.0658(2) 0.2378(3) 0.0541(16) Uani 1 1 d . . . A 2
 H1 H 0.1129 0.0801 0.2767 0.065 Uiso 1 1 calc R . . A 2
 C2 C 0.1776(5) 0.0526(2) 0.1932(4) 0.0615(19) Uani 1 1 d . . . A 2
 H2 H 0.2569 0.0558 0.1975 0.074 Uiso 1 1 calc R . . A 2
 C3 C 0.1176(7) 0.0336(2) 0.1414(3) 0.0628(18) Uani 1 1 d . . . A 2
 H3 H 0.1495 0.0224 0.1044 0.075 Uiso 1 1 calc R . . A 2
 C4 C 0.0021(7) 0.0343(2) 0.1551(3) 0.0636(19) Uani 1 1 d . . . A 2
 H4 H -0.0571 0.0232 0.1285 0.076 Uiso 1 1 calc R . . A 2
 C5 C -0.0121(6) 0.0541(2) 0.2143(3) 0.0555(16) Uani 1 1 d . . . A 2
 C7 C 0.0279(5) 0.1576(3) 0.0280(3) 0.0566(18) Uani 1 1 d . . . A 2
 H7 H 0.0911 0.1544 0.0025 0.068 Uiso 1 1 calc R . . A 2
 C8 C -0.0032(5) 0.2031(3) 0.0600(3) 0.0597(19) Uani 1 1 d . . . A 2
 H8 H 0.0347 0.2357 0.0598 0.072 Uiso 1 1 calc R . . A 2
 C9 C -0.1030(5) 0.1906(3) 0.0930(3) 0.0528(16) Uani 1 1 d . . . A 2
 H9 H -0.1435 0.2136 0.1184 0.063 Uiso 1 1 calc R . . A 2
 C10 C -0.1301(5) 0.1376(2) 0.0809(3) 0.0499(15) Uani 1 1 d . . . A 2
 H10 H -0.1912 0.1187 0.0973 0.060 Uiso 1 1 calc R . . A 2
 C11 C -0.0503(6) 0.1181(3) 0.0402(3) 0.0535(16) Uani 1 1 d . . . A 2
 C13 C -0.0112(5) 0.1848(2) 0.3163(2) 0.0373(12) Uani 1 1 d . . . A 2
 C14 C 0.0692(4) 0.1660(2) 0.3608(3) 0.0386(12) Uani 1 1 d . . . A 2
 C15 C 0.0320(5) 0.1480(2) 0.4170(3) 0.0453(14) Uani 1 1 d . . . A 2
 H15 H 0.0861 0.1365 0.4463 0.054 Uiso 1 1 calc R . . A 2
 C16 C -0.0836(6) 0.1463(2) 0.4317(3) 0.0485(15) Uani 1 1 d . . . A 2
 C17 C -0.1610(5) 0.1620(3) 0.3871(3) 0.0495(15) Uani 1 1 d . . . A 2
 H17 H -0.2390 0.1598 0.3956 0.059 Uiso 1 1 calc R . . A 2
 C18 C -0.1286(5) 0.1811(2) 0.3293(3) 0.0437(13) Uani 1 1 d . . . A 2
 C19 C -0.2197(7) 0.1981(4) 0.2834(4) 0.093(3) Uani 1 1 d . . . A 2
 H19A H -0.2134 0.2358 0.2761 0.140 Uiso 1 1 calc GR . . A 2
 H19B H -0.2942 0.1903 0.2996 0.140 Uiso 1 1 calc GR . . A 2
 H19C H -0.2100 0.1793 0.2451 0.140 Uiso 1 1 calc GR . . A 2
 C20 C 0.1970(5) 0.1682(3) 0.3502(4) 0.090(3) Uani 1 1 d . . . A 2
 H20A H 0.2131 0.1546 0.3096 0.135 Uiso 1 1 calc GR . . A 2
 H20B H 0.2362 0.1468 0.3809 0.135 Uiso 1 1 calc GR . . A 2
 H20C H 0.2231 0.2044 0.3534 0.135 Uiso 1 1 calc GR . . A 2
 C21 C -0.1207(9) 0.1291(3) 0.4958(3) 0.092(3) Uani 1 1 d . . . A 2
 H21A H -0.0652 0.1047 0.5130 0.139 Uiso 1 1 calc GR . . A 2
 H21B H -0.1944 0.1120 0.4927 0.139 Uiso 1 1 calc GR . . A 2
 H21C H -0.1261 0.1598 0.5221 0.139 Uiso 1 1 calc GR . . A 2
 C22 C 0.0958(6) 0.3057(2) 0.3780(2) 0.0477(15) Uani 1 1 d . . . A 2
 H22 H 0.1018 0.2698 0.3881 0.057 Uiso 1 1 calc R . . A 2
 C23 C 0.1863(5) 0.3397(4) 0.3658(3) 0.068(2) Uani 1 1 d . . . A 2
 H23 H 0.2639 0.3308 0.3667 0.081 Uiso 1 1 calc R . . A 2
 C24 C 0.1404(8) 0.3897(3) 0.3520(3) 0.074(2) Uani 1 1 d . . . A 2
 H24 H 0.1816 0.4201 0.3415 0.089 Uiso 1 1 calc R . . A 2
 C25 C 0.0219(7) 0.3860(3) 0.3566(3) 0.0619(18) Uani 1 1 d . . . A 2
 H25 H -0.0298 0.4137 0.3499 0.074 Uiso 1 1 calc R . . A 2
 C26 C -0.0065(5) 0.3350(3) 0.3725(3) 0.0460(14) Uani 1 1 d . . . A 2
 C27 C -0.1239(7) 0.3146(4) 0.3887(4) 0.08995(6) Uani 1 1 d . . . A 2
 H27A H -0.1782 0.3244 0.3567 0.135 Uiso 1 1 calc GR . . A 2
 H27B H -0.1469 0.3299 0.4274 0.135 Uiso 1 1 calc GR . . A 2
 H27C H -0.1216 0.2765 0.3924 0.135 Uiso 1 1 calc GR . . A 2
 C28 C -0.0051(8) 0.4132(3) 0.1986(4) 0.078(2) Uani 1 1 d . . . A 2
 H28 H 0.0188 0.4461 0.2139 0.094 Uiso 1 1 calc R . . A 2
 C29 C 0.0486(7) 0.3831(4) 0.1550(4) 0.081(2) Uani 1 1 d . . . A 2
 H29 H 0.1154 0.3927 0.1348 0.097 Uiso 1 1 calc R . . A 2
 C30 C -0.0093(7) 0.3377(3) 0.1459(3) 0.0661(19) Uani 1 1 d . . . A 2
 H30 H 0.0117 0.3108 0.1187 0.079 Uiso 1 1 calc R . . A 2
 C31 C -0.1025(6) 0.3368(3) 0.1819(3) 0.0587(18) Uani 1 1 d . . . A 2
 H31 H -0.1561 0.3094 0.1837 0.070 Uiso 1 1 calc R . . A 2
 C32 C -0.1051(6) 0.3843(4) 0.2162(3) 0.076(2) Uani 1 1 d . . . A 2
 C34 C 0.4159(4) 0.3515(2) 0.2643(2) 0.0413(13) Uani 1 1 d . . . A 2
 C35 C 0.4420(5) 0.4058(3) 0.2589(3) 0.0542(16) Uani 1 1 d . . . A 2
 C36 C 0.5196(6) 0.4290(3) 0.2990(4) 0.0643(19) Uani 1 1 d . . . A 2
 H36 H 0.5362 0.4650 0.2944 0.077 Uiso 1 1 calc R . . A 2
 C37 C 0.5733(5) 0.4014(3) 0.3453(3) 0.0559(17) Uani 1 1 d . . . A 2
 C38 C 0.5494(5) 0.3475(3) 0.3510(3) 0.0508(16) Uani 1 1 d . . . A 2
 H38 H 0.5857 0.3280 0.3822 0.061 Uiso 1 1 calc R . . A 2
 C39 C 0.4727(5) 0.3223(2) 0.3111(3) 0.0427(13) Uani 1 1 d . . . A 2
 C40 C 0.3843(9) 0.4398(4) 0.2090(4) 0.121(4) Uani 1 1 d . . . A 2
 H40A H 0.3915 0.4226 0.1695 0.182 Uiso 1 1 calc GR . . A 2
 H40B H 0.4206 0.4741 0.2078 0.182 Uiso 1 1 calc GR . . A 2
 H40C H 0.3044 0.4440 0.2182 0.182 Uiso 1 1 calc GR . . A 2
 C41 C 0.6576(6) 0.4278(4) 0.3912(4) 0.106(4) Uani 1 1 d . . . A 2
 H41A H 0.7288 0.4349 0.3709 0.160 Uiso 1 1 calc GR . . A 2
 H41B H 0.6714 0.4044 0.4258 0.160 Uiso 1 1 calc GR . . A 2
 H41C H 0.6255 0.4607 0.4057 0.160 Uiso 1 1 calc GR . . A 2
 C42 C 0.4509(9) 0.2632(3) 0.3196(4) 0.101(3) Uani 1 1 d . . . A 2
 H42A H 0.3737 0.2579 0.3332 0.151 Uiso 1 1 calc GR . . A 2
 H42B H 0.5040 0.2493 0.3501 0.151 Uiso 1 1 calc GR . . A 2
 H42C H 0.4614 0.2451 0.2809 0.151 Uiso 1 1 calc GR . . A 2
 C43 C 0.3258(8) 0.3541(3) 0.0314(3) 0.075(2) Uani 1 1 d . U . A 2
 H43 H 0.3311 0.3880 0.0486 0.090 Uiso 1 1 calc R . . A 2
 C44 C 0.2340(6) 0.3147(4) 0.0391(3) 0.068(2) Uani 1 1 d . . . A 2
 H44 H 0.1679 0.3192 0.0622 0.082 Uiso 1 1 calc R . . A 2
 C45 C 0.2620(7) 0.2718(3) 0.0075(3) 0.069(2) Uani 1 1 d . . . A 2
 H45 H 0.2178 0.2411 0.0044 0.083 Uiso 1 1 calc R . . A 2
 C46 C 0.3622(7) 0.2790(3) -0.0192(3) 0.066(2) Uani 1 1 d . . . A 2
 H46 H 0.3996 0.2535 -0.0427 0.079 Uiso 1 1 calc R . . A 2
 C47 C 0.4030(6) 0.3290(3) -0.0074(3) 0.065(2) Uani 1 1 d . . . A 2
 C49 C 0.4082(4) 0.1221(2) 0.1236(3) 0.0411(13) Uani 1 1 d . . . A 2
 C50 C 0.4752(5) 0.1019(2) 0.1726(3) 0.0476(14) Uani 1 1 d . . . A 2
 C51 C 0.5596(5) 0.0646(2) 0.1607(3) 0.0556(17) Uani 1 1 d . . . A 2
 H51 H 0.6047 0.0521 0.1936 0.067 Uiso 1 1 calc R . . A 2
 C52 C 0.5793(5) 0.0457(2) 0.1027(4) 0.0554(17) Uani 1 1 d . . . A 2
 C53 C 0.5117(5) 0.0650(2) 0.0543(3) 0.0520(16) Uani 1 1 d . . . A 2
 H53 H 0.5233 0.0519 0.0145 0.062 Uiso 1 1 calc R . . A 2
 C54 C 0.4276(5) 0.1030(2) 0.0630(3) 0.0439(13) Uani 1 1 d . . . A 2
 C55 C 0.4613(7) 0.1191(4) 0.2402(3) 0.084(2) Uani 1 1 d . . . A 2
 H55A H 0.4828 0.1558 0.2447 0.126 Uiso 1 1 calc GR . . A 2
 H55B H 0.5098 0.0975 0.2665 0.126 Uiso 1 1 calc GR . . A 2
 H55C H 0.3826 0.1146 0.2519 0.126 Uiso 1 1 calc GR . . A 2
 C56 C 0.6691(6) 0.0026(3) 0.0919(5) 0.087(3) Uani 1 1 d . . . A 2
 H56A H 0.7378 0.0109 0.1153 0.131 Uiso 1 1 calc GR . . A 2
 H56B H 0.6864 0.0010 0.0486 0.131 Uiso 1 1 calc GR . . A 2
 H56C H 0.6397 -0.0312 0.1051 0.131 Uiso 1 1 calc GR . . A 2
 C57 C 0.3574(7) 0.1232(3) 0.0089(3) 0.0673(19) Uani 1 1 d . . . A 2
 H57A H 0.2805 0.1095 0.0112 0.101 Uiso 1 1 calc GR . . A 2
 H57B H 0.3914 0.1117 -0.0290 0.101 Uiso 1 1 calc GR . . A 2
 H57C H 0.3554 0.1615 0.0100 0.101 Uiso 1 1 calc GR . . A 2
 C100 C 0.6052(10) 0.2296(3) 0.1266(6) 0.035(3) Uani 0.5 1 d . U P A 2
 H100 H 0.6011 0.1929 0.1320 0.042 Uiso 0.5 1 calc R . P A 2
 C101 C 0.5938(11) 0.2687(6) 0.1737(4) 0.038(4) Uani 0.5 1 d G U P A 2
 H101 H 0.5808 0.2621 0.2154 0.045 Uiso 0.5 1 calc R . P A 2
 C102 C 0.6056(9) 0.3197(4) 0.1459(6) 0.056(3) Uani 0.5 1 d G U P A 2
 H102 H 0.6017 0.3523 0.1663 0.067 Uiso 0.5 1 calc R . P A 2
 C103 C 0.6243(13) 0.3121(4) 0.0817(6) 0.051(4) Uani 0.5 1 d G U P A 2
 H103 H 0.6349 0.3389 0.0525 0.061 Uiso 0.5 1 calc R . P A 2
 C104 C 0.6241(14) 0.2565(5) 0.0697(4) 0.040(5) Uani 0.5 1 d G U P A 2
 C105 C 0.6547(10) 0.2371(6) 0.0066(5) 0.064(4) Uani 0.5 1 d . U P A 2
 H10A H 0.6193 0.2031 -0.0009 0.097 Uiso 0.5 1 calc GR . P A 2
 H10B H 0.7367 0.2336 0.0041 0.097 Uiso 0.5 1 calc GR . P A 2
 H10C H 0.6279 0.2621 -0.0240 0.097 Uiso 0.5 1 calc GR . P A 2
 C1A C 0.1515(13) 0.4865(5) 0.0337(9) 0.165(5) Uani 1 1 d . U . B 2
 H1A H 0.0807 0.4753 0.0483 0.198 Uiso 1 1 calc R . . B 2
 C2A C 0.1679(14) 0.4827(5) -0.0307(9) 0.161(5) Uani 1 1 d . U . B 2
 H2A H 0.1116 0.4692 -0.0575 0.193 Uiso 1 1 calc R . . B 2
 C2C C 0.2810(17) 0.5007(8) -0.1213(7) 0.245(8) Uani 1 1 d . U . B 2
 H2CA H 0.3107 0.5348 -0.1333 0.368 Uiso 1 1 calc GR . . B 2
 H2CB H 0.2076 0.4950 -0.1412 0.368 Uiso 1 1 calc GR . . B 2
 H2CC H 0.3334 0.4732 -0.1334 0.368 Uiso 1 1 calc GR . . B 2
 C2I C 0.2275(12) 0.5047(5) 0.0761(6) 0.130(4) Uani 1 1 d . U . B 2
 H2I H 0.2115 0.5057 0.1182 0.156 Uiso 1 1 calc R . . B 2
 C2J C 0.3345(11) 0.5224(5) 0.0523(6) 0.129(4) Uani 1 1 d . U . B 2
 H2J H 0.3925 0.5351 0.0786 0.155 Uiso 1 1 calc R . . B 2
 C2K C 0.3499(9) 0.5198(5) -0.0126(5) 0.119(3) Uani 1 1 d . U . B 2
 H2K H 0.4177 0.5324 -0.0295 0.143 Uiso 1 1 calc R . . B 2
 C2M C 0.2670(12) 0.4994(5) -0.0503(6) 0.134(4) Uani 1 1 d . U . B 2
 C1B C 0.6058(10) 0.2178(6) 0.0905(7) 0.048(3) Uani 0.5 1 d . U P C 1
 H1B H 0.6013 0.1848 0.0710 0.057 Uiso 0.5 1 calc R . P C 1
 C1C C 0.5916(11) 0.2294(6) 0.1559(7) 0.039(3) Uani 0.5 1 d . U P C 1
 H1C H 0.5766 0.2048 0.1869 0.046 Uiso 0.5 1 calc R . P C 1
 C1D C 0.6049(13) 0.2850(7) 0.1636(7) 0.031(3) Uani 0.5 1 d . U P C 1
 H1D H 0.6007 0.3034 0.2009 0.037 Uiso 0.5 1 calc R . P C 1
 C1E C 0.6253(13) 0.3077(6) 0.1061(7) 0.038(3) Uani 0.5 1 d . U P C 1
 C1F C 0.6281(19) 0.2683(9) 0.0631(9) 0.050(4) Uani 0.5 1 d . U P C 1
 H1F H 0.6426 0.2735 0.0213 0.060 Uiso 0.5 1 calc R . P C 1
 C1G C 0.6342(15) 0.3708(7) 0.1084(8) 0.08998(11) Uani 0.5 1 d . U P C 1
 H1GA H 0.6113 0.3833 0.1484 0.135 Uiso 0.5 1 calc GR . P C 1
 H1GB H 0.5847 0.3859 0.0769 0.135 Uiso 0.5 1 calc GR . P C 1
 H1GC H 0.7122 0.3814 0.1011 0.135 Uiso 0.5 1 calc GR . P C 1
 C1H C 0.4919(7) 0.3568(4) -0.0417(4) 0.09015(6) Uani 1 1 d . . . A 2
 H1HA H 0.5139 0.3886 -0.0198 0.135 Uiso 1 1 calc GR . . A 2
 H1HB H 0.4625 0.3661 -0.0822 0.135 Uiso 1 1 calc GR . . A 2
 H1HC H 0.5576 0.3340 -0.0458 0.135 Uiso 1 1 calc GR . . A 2
 C6 C -0.1259(7) 0.0576(4) 0.2452(4) 0.08986(6) Uani 1 1 d . . . A 2
 H6A H -0.1153 0.0713 0.2865 0.135 Uiso 1 1 calc GR . . A 2
 H6B H -0.1599 0.0228 0.2470 0.135 Uiso 1 1 calc GR . . A 2
 H6C H -0.1757 0.0810 0.2219 0.135 Uiso 1 1 calc GR . . A 2
 C12 C -0.0513(7) 0.0657(3) 0.0057(4) 0.09016(6) Uani 1 1 d . . . A 2
 H12A H 0.0242 0.0584 -0.0093 0.135 Uiso 1 1 calc GR . . A 2
 H12B H -0.1048 0.0677 -0.0286 0.135 Uiso 1 1 calc GR . . A 2
 H12C H -0.0740 0.0376 0.0333 0.135 Uiso 1 1 calc GR . . A 2
 C1I C -0.1984(7) 0.4057(4) 0.2474(4) 0.09005(6) Uani 1 1 d . . . A 2
 H1IA H -0.2287 0.3794 0.2751 0.135 Uiso 1 1 calc GR . . A 2
 H1IB H -0.2570 0.4161 0.2179 0.135 Uiso 1 1 calc GR . . A 2
 H1IC H -0.1737 0.4363 0.2708 0.135 Uiso 1 1 calc GR . . A 2


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Y1 P1 2.9233(16) . ?
 Y1 P3 2.9499(15) . ?
 Y1 C1 2.651(6) . ?
 Y1 C2 2.640(6) . ?
 Y1 C3 2.609(6) . ?
 Y1 C4 2.625(6) . ?
 Y1 C5 2.662(6) . ?
 Y1 C7 2.632(5) . ?
 Y1 C8 2.636(5) . ?
 Y1 C9 2.642(5) . ?
 Y1 C10 2.640(5) . ?
 Y1 C11 2.650(5) . ?
 Y2 P1 2.9429(16) . ?
 Y2 P2 2.9410(16) . ?
 Y2 C22 2.642(5) . ?
 Y2 C23 2.639(6) . ?
 Y2 C24 2.613(6) . ?
 Y2 C25 2.614(6) . ?
 Y2 C26 2.638(5) . ?
 Y2 C28 2.628(7) . ?
 Y2 C29 2.627(7) . ?
 Y2 C30 2.619(6) . ?
 Y2 C31 2.628(6) . ?
 Y2 C32 2.649(6) . ?
 Y3 P2 2.9267(16) . ?
 Y3 P3 2.9543(16) . ?
 Y3 C43 2.628(6) . ?
 Y3 C44 2.614(6) . ?
 Y3 C45 2.633(6) . ?
 Y3 C46 2.627(6) . ?
 Y3 C47 2.661(6) . ?
 Y3 C100 2.592(11) . ?
 Y3 C101 2.628(12) . ?
 Y3 C102 2.667(10) . ?
 Y3 C103 2.657(14) . ?
 Y3 C104 2.611(16) . ?
 P1 C13 1.841(5) . ?
 P2 C34 1.841(5) . ?
 P3 C49 1.844(5) . ?
 C1 C2 1.398(9) . ?
 C1 C5 1.384(9) . ?
 C2 C3 1.391(10) . ?
 C3 C4 1.381(10) . ?
 C4 C5 1.383(9) . ?
 C5 C6 1.496(10) . ?
 C7 C8 1.386(10) . ?
 C7 C11 1.374(9) . ?
 C8 C9 1.408(9) . ?
 C9 C10 1.390(9) . ?
 C10 C11 1.377(9) . ?
 C11 C12 1.511(10) . ?
 C13 C14 1.409(7) . ?
 C13 C18 1.401(7) . ?
 C14 C15 1.372(8) . ?
 C14 C20 1.509(8) . ?
 C15 C16 1.388(9) . ?
 C16 C17 1.365(8) . ?
 C16 C21 1.517(8) . ?
 C17 C18 1.395(8) . ?
 C18 C19 1.500(8) . ?
 C22 C23 1.383(9) . ?
 C22 C26 1.401(8) . ?
 C23 C24 1.394(11) . ?
 C24 C25 1.386(10) . ?
 C25 C26 1.366(9) . ?
 C26 C27 1.506(9) . ?
 C28 C29 1.366(12) . ?
 C28 C32 1.427(11) . ?
 C29 C30 1.335(11) . ?
 C30 C31 1.344(10) . ?
 C31 C32 1.403(10) . ?
 C32 C1I 1.395(10) . ?
 C34 C35 1.403(9) . ?
 C34 C39 1.403(8) . ?
 C35 C36 1.369(9) . ?
 C35 C40 1.520(10) . ?
 C36 C37 1.359(10) . ?
 C37 C38 1.385(9) . ?
 C37 C41 1.532(9) . ?
 C38 C39 1.383(8) . ?
 C39 C42 1.514(9) . ?
 C43 C44 1.465(11) . ?
 C43 C47 1.390(10) . ?
 C44 C45 1.317(10) . ?
 C45 C46 1.321(10) . ?
 C46 C47 1.363(10) . ?
 C47 C1H 1.460(10) . ?
 C49 C50 1.397(8) . ?
 C49 C54 1.415(8) . ?
 C50 C51 1.383(8) . ?
 C50 C55 1.533(9) . ?
 C51 C52 1.362(9) . ?
 C52 C53 1.383(9) . ?
 C52 C56 1.524(8) . ?
 C53 C54 1.381(8) . ?
 C54 C57 1.501(8) . ?
 C100 C101 1.4200 . ?
 C100 C104 1.4200 . ?
 C101 C102 1.4200 . ?
 C102 C103 1.4200 . ?
 C103 C104 1.4200 . ?
 C104 C105 1.494(14) . ?
 C1A C2A 1.41(2) . ?
 C1A C2I 1.341(18) . ?
 C2A C2M 1.305(19) . ?
 C2C C2M 1.542(18) . ?
 C2I C2J 1.425(16) . ?
 C2J C2K 1.416(14) . ?
 C2K C2M 1.352(14) . ?
 C1B C1C 1.451(17) . ?
 C1B C1F 1.42(2) . ?
 C1C C1D 1.41(2) . ?
 C1D C1E 1.39(2) . ?
 C1E C1F 1.36(2) . ?
 C1E C1G 1.59(2) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 P1 Y1 P3 86.62(5) . . ?
 C1 Y1 P1 85.66(14) . . ?
 C1 Y1 P3 99.98(16) . . ?
 C1 Y1 C5 30.19(19) . . ?
 C2 Y1 P1 108.41(18) . . ?
 C2 Y1 P3 81.11(15) . . ?
 C2 Y1 C1 30.6(2) . . ?
 C2 Y1 C5 50.5(2) . . ?
 C2 Y1 C9 160.2(2) . . ?
 C2 Y1 C10 130.2(2) . . ?
 C2 Y1 C11 116.9(2) . . ?
 C3 Y1 P1 136.06(16) . . ?
 C3 Y1 P3 96.36(18) . . ?
 C3 Y1 C1 50.6(2) . . ?
 C3 Y1 C2 30.7(2) . . ?
 C3 Y1 C4 30.6(2) . . ?
 C3 Y1 C5 50.7(2) . . ?
 C3 Y1 C7 102.3(2) . . ?
 C3 Y1 C8 132.6(2) . . ?
 C3 Y1 C9 132.4(2) . . ?
 C3 Y1 C10 102.2(2) . . ?
 C3 Y1 C11 86.2(2) . . ?
 C4 Y1 P1 124.61(17) . . ?
 C4 Y1 P3 126.70(18) . . ?
 C4 Y1 C1 49.85(19) . . ?
 C4 Y1 C2 50.2(2) . . ?
 C4 Y1 C5 30.3(2) . . ?
 C4 Y1 C7 104.2(2) . . ?
 C4 Y1 C8 126.9(2) . . ?
 C4 Y1 C9 109.9(2) . . ?
 C4 Y1 C10 80.4(2) . . ?
 C4 Y1 C11 77.4(2) . . ?
 C5 Y1 P1 94.53(16) . . ?
 C5 Y1 P3 129.30(15) . . ?
 C7 Y1 P1 121.60(18) . . ?
 C7 Y1 P3 88.33(14) . . ?
 C7 Y1 C1 152.1(2) . . ?
 C7 Y1 C2 128.1(2) . . ?
 C7 Y1 C5 130.8(2) . . ?
 C7 Y1 C8 30.5(2) . . ?
 C7 Y1 C9 50.4(2) . . ?
 C7 Y1 C10 50.20(19) . . ?
 C7 Y1 C11 30.2(2) . . ?
 C8 Y1 P1 91.21(18) . . ?
 C8 Y1 P3 88.66(14) . . ?
 C8 Y1 C1 170.6(2) . . ?
 C8 Y1 C2 157.1(3) . . ?
 C8 Y1 C5 141.8(2) . . ?
 C8 Y1 C9 30.9(2) . . ?
 C8 Y1 C10 50.73(18) . . ?
 C8 Y1 C11 50.2(2) . . ?
 C9 Y1 P1 81.68(15) . . ?
 C9 Y1 P3 117.19(15) . . ?
 C9 Y1 C1 139.7(2) . . ?
 C9 Y1 C5 113.1(2) . . ?
 C9 Y1 C11 50.0(2) . . ?
 C10 Y1 P1 104.91(15) . . ?
 C10 Y1 P3 137.14(14) . . ?
 C10 Y1 C1 121.6(2) . . ?
 C10 Y1 C5 91.5(2) . . ?
 C10 Y1 C9 30.52(19) . . ?
 C10 Y1 C11 30.18(19) . . ?
 C11 Y1 P1 131.57(15) . . ?
 C11 Y1 P3 115.59(16) . . ?
 C11 Y1 C1 127.18(19) . . ?
 C11 Y1 C5 101.0(2) . . ?
 P2 Y2 P1 91.23(6) . . ?
 C22 Y2 P1 84.42(13) . . ?
 C22 Y2 P2 104.36(14) . . ?
 C22 Y2 C32 121.2(2) . . ?
 C23 Y2 P1 105.5(2) . . ?
 C23 Y2 P2 82.15(13) . . ?
 C23 Y2 C22 30.4(2) . . ?
 C23 Y2 C32 129.0(2) . . ?
 C24 Y2 P1 134.27(19) . . ?
 C24 Y2 P2 92.70(19) . . ?
 C24 Y2 C22 50.6(2) . . ?
 C24 Y2 C23 30.8(2) . . ?
 C24 Y2 C25 30.8(2) . . ?
 C24 Y2 C26 50.5(2) . . ?
 C24 Y2 C28 90.9(3) . . ?
 C24 Y2 C29 112.8(3) . . ?
 C24 Y2 C30 140.3(3) . . ?
 C24 Y2 C31 131.5(3) . . ?
 C24 Y2 C32 100.9(3) . . ?
 C25 Y2 P1 126.17(17) . . ?
 C25 Y2 P2 123.41(17) . . ?
 C25 Y2 C22 50.3(2) . . ?
 C25 Y2 C23 50.5(2) . . ?
 C25 Y2 C26 30.1(2) . . ?
 C25 Y2 C28 83.3(3) . . ?
 C25 Y2 C29 112.8(3) . . ?
 C25 Y2 C30 128.4(2) . . ?
 C25 Y2 C31 106.4(2) . . ?
 C25 Y2 C32 79.0(2) . . ?
 C26 Y2 P1 96.05(14) . . ?
 C26 Y2 P2 132.39(13) . . ?
 C26 Y2 C22 30.79(18) . . ?
 C26 Y2 C23 50.55(18) . . ?
 C26 Y2 C32 90.4(2) . . ?
 C28 Y2 P1 132.52(16) . . ?
 C28 Y2 P2 101.9(2) . . ?
 C28 Y2 C22 133.6(3) . . ?
 C28 Y2 C23 121.3(3) . . ?
 C28 Y2 C26 107.0(3) . . ?
 C28 Y2 C32 31.4(2) . . ?
 C29 Y2 P1 112.8(2) . . ?
 C29 Y2 P2 80.3(2) . . ?
 C29 Y2 C22 162.3(3) . . ?
 C29 Y2 C23 138.0(3) . . ?
 C29 Y2 C26 136.8(3) . . ?
 C29 Y2 C28 30.1(3) . . ?
 C29 Y2 C31 49.3(2) . . ?
 C29 Y2 C32 50.3(3) . . ?
 C30 Y2 P1 85.16(18) . . ?
 C30 Y2 P2 90.65(18) . . ?
 C30 Y2 C22 161.9(2) . . ?
 C30 Y2 C23 167.2(3) . . ?
 C30 Y2 C26 136.8(2) . . ?
 C30 Y2 C28 49.8(2) . . ?
 C30 Y2 C29 29.5(2) . . ?
 C30 Y2 C31 29.7(2) . . ?
 C30 Y2 C32 50.0(2) . . ?
 C31 Y2 P1 83.18(15) . . ?
 C31 Y2 P2 120.26(18) . . ?
 C31 Y2 C22 133.8(2) . . ?
 C31 Y2 C23 156.3(2) . . ?
 C31 Y2 C26 107.3(2) . . ?
 C31 Y2 C28 50.7(2) . . ?
 C31 Y2 C32 30.8(2) . . ?
 C32 Y2 P1 110.8(2) . . ?
 C32 Y2 P2 130.25(18) . . ?
 P2 Y3 P3 86.33(5) . . ?
 C43 Y3 P2 91.43(19) . . ?
 C43 Y3 P3 127.4(2) . . ?
 C43 Y3 C45 50.6(2) . . ?
 C43 Y3 C47 30.5(2) . . ?
 C43 Y3 C102 102.9(3) . . ?
 C43 Y3 C103 91.0(3) . . ?
 C44 Y3 P2 86.63(17) . . ?
 C44 Y3 P3 95.0(2) . . ?
 C44 Y3 C43 32.5(2) . . ?
 C44 Y3 C45 29.1(2) . . ?
 C44 Y3 C46 48.7(2) . . ?
 C44 Y3 C47 50.5(2) . . ?
 C44 Y3 C101 162.5(4) . . ?
 C44 Y3 C102 134.1(3) . . ?
 C44 Y3 C103 122.3(3) . . ?
 C45 Y3 P2 111.3(2) . . ?
 C45 Y3 P3 81.66(17) . . ?
 C45 Y3 C47 49.2(2) . . ?
 C45 Y3 C102 147.6(3) . . ?
 C45 Y3 C103 120.6(3) . . ?
 C46 Y3 P2 135.17(19) . . ?
 C46 Y3 P3 99.53(17) . . ?
 C46 Y3 C43 50.0(2) . . ?
 C46 Y3 C45 29.1(2) . . ?
 C46 Y3 C47 29.9(2) . . ?
 C46 Y3 C101 139.1(3) . . ?
 C46 Y3 C102 121.8(4) . . ?
 C46 Y3 C103 92.2(3) . . ?
 C47 Y3 P2 121.25(19) . . ?
 C47 Y3 P3 128.68(17) . . ?
 C47 Y3 C102 98.4(3) . . ?
 C100 Y3 P2 111.0(3) . . ?
 C100 Y3 P3 86.3(2) . . ?
 C100 Y3 C43 141.5(3) . . ?
 C100 Y3 C44 162.4(3) . . ?
 C100 Y3 C45 135.0(4) . . ?
 C100 Y3 C46 113.7(3) . . ?
 C100 Y3 C47 116.0(3) . . ?
 C100 Y3 C101 31.56(12) . . ?
 C100 Y3 C102 51.78(13) . . ?
 C100 Y3 C103 51.90(19) . . ?
 C100 Y3 C104 31.67(15) . . ?
 C101 Y3 P2 82.5(2) . . ?
 C101 Y3 P3 97.9(3) . . ?
 C101 Y3 C43 133.9(3) . . ?
 C101 Y3 C45 166.0(3) . . ?
 C101 Y3 C47 125.8(3) . . ?
 C101 Y3 C102 31.10(11) . . ?
 C101 Y3 C103 51.54(14) . . ?
 C102 Y3 P2 84.2(2) . . ?
 C102 Y3 P3 129.0(3) . . ?
 C103 Y3 P2 113.2(3) . . ?
 C103 Y3 P3 137.5(2) . . ?
 C103 Y3 C47 74.3(3) . . ?
 C103 Y3 C102 30.94(11) . . ?
 C104 Y3 P2 133.1(2) . . ?
 C104 Y3 P3 108.3(3) . . ?
 C104 Y3 C43 110.9(3) . . ?
 C104 Y3 C44 133.6(3) . . ?
 C104 Y3 C45 114.7(3) . . ?
 C104 Y3 C46 87.3(3) . . ?
 C104 Y3 C47 84.4(3) . . ?
 C104 Y3 C101 52.03(15) . . ?
 C104 Y3 C102 51.60(17) . . ?
 C104 Y3 C103 31.26(17) . . ?
 Y1 P1 Y2 137.74(6) . . ?
 C13 P1 Y1 112.23(17) . . ?
 C13 P1 Y2 109.96(17) . . ?
 Y3 P2 Y2 135.48(6) . . ?
 C34 P2 Y2 112.08(17) . . ?
 C34 P2 Y3 112.44(17) . . ?
 Y1 P3 Y3 137.37(5) . . ?
 C49 P3 Y1 113.26(17) . . ?
 C49 P3 Y3 107.06(18) . . ?
 C2 C1 Y1 74.2(3) . . ?
 C5 C1 Y1 75.4(3) . . ?
 C5 C1 C2 108.7(6) . . ?
 C1 C2 Y1 75.1(3) . . ?
 C3 C2 Y1 73.4(3) . . ?
 C3 C2 C1 107.4(6) . . ?
 C2 C3 Y1 75.8(4) . . ?
 C4 C3 Y1 75.3(4) . . ?
 C4 C3 C2 107.5(6) . . ?
 C3 C4 Y1 74.1(4) . . ?
 C3 C4 C5 109.5(6) . . ?
 C5 C4 Y1 76.3(4) . . ?
 C1 C5 Y1 74.5(3) . . ?
 C1 C5 C6 129.4(7) . . ?
 C4 C5 Y1 73.3(4) . . ?
 C4 C5 C1 106.9(6) . . ?
 C4 C5 C6 123.6(7) . . ?
 C6 C5 Y1 120.6(5) . . ?
 C8 C7 Y1 74.9(3) . . ?
 C11 C7 Y1 75.7(3) . . ?
 C11 C7 C8 108.6(6) . . ?
 C7 C8 Y1 74.6(3) . . ?
 C7 C8 C9 107.0(6) . . ?
 C9 C8 Y1 74.8(3) . . ?
 C8 C9 Y1 74.3(3) . . ?
 C10 C9 Y1 74.6(3) . . ?
 C10 C9 C8 107.8(6) . . ?
 C9 C10 Y1 74.8(3) . . ?
 C11 C10 Y1 75.3(3) . . ?
 C11 C10 C9 107.8(6) . . ?
 C7 C11 Y1 74.2(3) . . ?
 C7 C11 C10 108.7(6) . . ?
 C7 C11 C12 122.2(7) . . ?
 C10 C11 Y1 74.5(3) . . ?
 C10 C11 C12 128.5(7) . . ?
 C12 C11 Y1 123.9(5) . . ?
 C14 C13 P1 120.8(4) . . ?
 C18 C13 P1 120.6(4) . . ?
 C18 C13 C14 118.6(5) . . ?
 C13 C14 C20 122.0(6) . . ?
 C15 C14 C13 119.8(5) . . ?
 C15 C14 C20 118.1(6) . . ?
 C14 C15 C16 122.3(5) . . ?
 C15 C16 C21 120.6(6) . . ?
 C17 C16 C15 117.4(5) . . ?
 C17 C16 C21 122.0(7) . . ?
 C16 C17 C18 123.0(5) . . ?
 C13 C18 C19 122.0(6) . . ?
 C17 C18 C13 118.8(5) . . ?
 C17 C18 C19 119.2(6) . . ?
 C23 C22 Y2 74.7(3) . . ?
 C23 C22 C26 108.0(6) . . ?
 C26 C22 Y2 74.4(3) . . ?
 C22 C23 Y2 74.9(3) . . ?
 C22 C23 C24 107.8(6) . . ?
 C24 C23 Y2 73.6(4) . . ?
 C23 C24 Y2 75.6(4) . . ?
 C25 C24 Y2 74.6(4) . . ?
 C25 C24 C23 107.5(6) . . ?
 C24 C25 Y2 74.6(4) . . ?
 C26 C25 Y2 75.9(3) . . ?
 C26 C25 C24 109.1(6) . . ?
 C22 C26 Y2 74.8(3) . . ?
 C22 C26 C27 125.0(7) . . ?
 C25 C26 Y2 73.9(3) . . ?
 C25 C26 C22 107.6(6) . . ?
 C25 C26 C27 127.0(6) . . ?
 C27 C26 Y2 122.4(4) . . ?
 C29 C28 Y2 74.9(4) . . ?
 C29 C28 C32 106.7(7) . . ?
 C32 C28 Y2 75.1(4) . . ?
 C28 C29 Y2 74.9(4) . . ?
 C30 C29 Y2 74.9(4) . . ?
 C30 C29 C28 109.7(8) . . ?
 C29 C30 Y2 75.6(4) . . ?
 C29 C30 C31 109.8(8) . . ?
 C31 C30 Y2 75.5(4) . . ?
 C30 C31 Y2 74.8(4) . . ?
 C30 C31 C32 108.4(7) . . ?
 C32 C31 Y2 75.4(4) . . ?
 C28 C32 Y2 73.5(4) . . ?
 C31 C32 Y2 73.8(3) . . ?
 C31 C32 C28 105.4(6) . . ?
 C1I C32 Y2 130.1(5) . . ?
 C1I C32 C28 125.3(9) . . ?
 C1I C32 C31 127.3(9) . . ?
 C35 C34 P2 120.0(5) . . ?
 C39 C34 P2 122.1(5) . . ?
 C39 C34 C35 117.9(5) . . ?
 C34 C35 C40 120.6(7) . . ?
 C36 C35 C34 120.2(6) . . ?
 C36 C35 C40 119.2(8) . . ?
 C37 C36 C35 122.5(6) . . ?
 C36 C37 C38 118.1(6) . . ?
 C36 C37 C41 122.4(7) . . ?
 C38 C37 C41 119.5(7) . . ?
 C39 C38 C37 121.4(6) . . ?
 C34 C39 C42 121.4(6) . . ?
 C38 C39 C34 119.9(5) . . ?
 C38 C39 C42 118.7(7) . . ?
 C44 C43 Y3 73.2(3) . . ?
 C47 C43 Y3 76.1(4) . . ?
 C47 C43 C44 104.0(6) . . ?
 C43 C44 Y3 74.3(3) . . ?
 C45 C44 Y3 76.2(4) . . ?
 C45 C44 C43 107.7(7) . . ?
 C44 C45 Y3 74.7(4) . . ?
 C44 C45 C46 110.0(7) . . ?
 C46 C45 Y3 75.2(4) . . ?
 C45 C46 Y3 75.7(4) . . ?
 C45 C46 C47 110.5(7) . . ?
 C47 C46 Y3 76.5(4) . . ?
 C43 C47 Y3 73.5(4) . . ?
 C43 C47 C1H 124.0(8) . . ?
 C46 C47 Y3 73.7(4) . . ?
 C46 C47 C43 107.6(7) . . ?
 C46 C47 C1H 126.4(8) . . ?
 C1H C47 Y3 131.2(5) . . ?
 C50 C49 P3 123.2(4) . . ?
 C50 C49 C54 118.6(5) . . ?
 C54 C49 P3 118.1(4) . . ?
 C49 C50 C55 123.4(5) . . ?
 C51 C50 C49 119.6(6) . . ?
 C51 C50 C55 116.9(6) . . ?
 C52 C51 C50 122.5(6) . . ?
 C51 C52 C53 118.0(5) . . ?
 C51 C52 C56 120.9(7) . . ?
 C53 C52 C56 121.0(7) . . ?
 C54 C53 C52 122.2(6) . . ?
 C49 C54 C57 120.6(5) . . ?
 C53 C54 C49 119.0(5) . . ?
 C53 C54 C57 120.3(6) . . ?
 C101 C100 Y3 75.6(5) . . ?
 C104 C100 Y3 74.9(6) . . ?
 C104 C100 C101 108.0 . . ?
 C100 C101 Y3 72.8(5) . . ?
 C102 C101 Y3 76.0(4) . . ?
 C102 C101 C100 108.0 . . ?
 C101 C102 Y3 72.9(5) . . ?
 C101 C102 C103 108.0 . . ?
 C103 C102 Y3 74.1(6) . . ?
 C102 C103 Y3 74.9(5) . . ?
 C104 C103 Y3 72.6(4) . . ?
 C104 C103 C102 108.0 . . ?
 C100 C104 Y3 73.5(5) . . ?
 C100 C104 C105 132.5(11) . . ?
 C103 C104 Y3 76.2(4) . . ?
 C103 C104 C100 108.0 . . ?
 C103 C104 C105 119.1(11) . . ?
 C105 C104 Y3 122.2(9) . . ?
 C2I C1A C2A 126.6(17) . . ?
 C2M C2A C1A 115.7(14) . . ?
 C1A C2I C2J 115.5(14) . . ?
 C2K C2J C2I 117.9(12) . . ?
 C2M C2K C2J 120.8(13) . . ?
 C2A C2M C2C 116.0(14) . . ?
 C2A C2M C2K 123.5(15) . . ?
 C2K C2M C2C 120.2(16) . . ?
 C1F C1B C1C 104.4(13) . . ?
 C1D C1C C1B 107.4(14) . . ?
 C1E C1D C1C 108.7(13) . . ?
 C1D C1E C1G 113.2(14) . . ?
 C1F C1E C1D 108.5(14) . . ?
 C1F C1E C1G 138.2(17) . . ?
 C1E C1F C1B 111.0(17) . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Y1 P1 C13 C14 89.0(4) . . . . ?
 Y1 P1 C13 C18 -91.7(4) . . . . ?
 Y1 P3 C49 C50 -97.3(5) . . . . ?
 Y1 P3 C49 C54 86.0(4) . . . . ?
 Y1 C1 C2 C3 -66.9(4) . . . . ?
 Y1 C1 C5 C4 66.7(4) . . . . ?
 Y1 C1 C5 C6 -117.1(7) . . . . ?
 Y1 C2 C3 C4 -69.3(4) . . . . ?
 Y1 C3 C4 C5 -68.8(5) . . . . ?
 Y1 C4 C5 C1 -67.4(4) . . . . ?
 Y1 C4 C5 C6 116.1(6) . . . . ?
 Y1 C7 C8 C9 -68.4(4) . . . . ?
 Y1 C7 C11 C10 67.1(4) . . . . ?
 Y1 C7 C11 C12 -120.4(6) . . . . ?
 Y1 C8 C9 C10 -67.7(4) . . . . ?
 Y1 C9 C10 C11 -68.7(4) . . . . ?
 Y1 C10 C11 C7 -66.9(4) . . . . ?
 Y1 C10 C11 C12 121.2(7) . . . . ?
 Y2 P1 C13 C14 -88.5(4) . . . . ?
 Y2 P1 C13 C18 90.7(4) . . . . ?
 Y2 P2 C34 C35 -88.0(4) . . . . ?
 Y2 P2 C34 C39 91.2(4) . . . . ?
 Y2 C22 C23 C24 66.8(4) . . . . ?
 Y2 C22 C26 C25 -67.2(4) . . . . ?
 Y2 C22 C26 C27 119.2(6) . . . . ?
 Y2 C23 C24 C25 68.4(5) . . . . ?
 Y2 C24 C25 C26 68.7(4) . . . . ?
 Y2 C25 C26 C22 67.8(4) . . . . ?
 Y2 C25 C26 C27 -118.8(6) . . . . ?
 Y2 C28 C29 C30 67.5(5) . . . . ?
 Y2 C28 C32 C31 -67.4(4) . . . . ?
 Y2 C28 C32 C1I 127.9(8) . . . . ?
 Y2 C29 C30 C31 68.4(5) . . . . ?
 Y2 C30 C31 C32 68.6(4) . . . . ?
 Y2 C31 C32 C28 67.2(5) . . . . ?
 Y2 C31 C32 C1I -128.5(8) . . . . ?
 Y3 P2 C34 C35 91.1(4) . . . . ?
 Y3 P2 C34 C39 -89.6(4) . . . . ?
 Y3 P3 C49 C50 96.8(5) . . . . ?
 Y3 P3 C49 C54 -79.9(4) . . . . ?
 Y3 C43 C44 C45 -69.5(4) . . . . ?
 Y3 C43 C47 C46 66.3(5) . . . . ?
 Y3 C43 C47 C1H -128.9(7) . . . . ?
 Y3 C44 C45 C46 -67.6(5) . . . . ?
 Y3 C45 C46 C47 -69.3(5) . . . . ?
 Y3 C46 C47 C43 -66.2(5) . . . . ?
 Y3 C46 C47 C1H 129.5(7) . . . . ?
 Y3 C100 C101 C102 -68.5(5) . . . . ?
 Y3 C100 C104 C103 69.0(4) . . . . ?
 Y3 C100 C104 C105 -118.8(16) . . . . ?
 Y3 C101 C102 C103 -66.4(6) . . . . ?
 Y3 C102 C103 C104 -65.6(4) . . . . ?
 Y3 C103 C104 C100 -67.1(6) . . . . ?
 Y3 C103 C104 C105 119.4(11) . . . . ?
 P1 C13 C14 C15 174.9(4) . . . . ?
 P1 C13 C14 C20 -1.3(7) . . . . ?
 P1 C13 C18 C17 -175.4(4) . . . . ?
 P1 C13 C18 C19 3.2(8) . . . . ?
 P2 C34 C35 C36 178.4(5) . . . . ?
 P2 C34 C35 C40 -1.2(8) . . . . ?
 P2 C34 C39 C38 -177.6(4) . . . . ?
 P2 C34 C39 C42 1.6(8) . . . . ?
 P3 C49 C50 C51 -175.5(4) . . . . ?
 P3 C49 C50 C55 4.0(9) . . . . ?
 P3 C49 C54 C53 176.9(4) . . . . ?
 P3 C49 C54 C57 -3.5(7) . . . . ?
 C1 C2 C3 Y1 68.1(4) . . . . ?
 C1 C2 C3 C4 -1.2(7) . . . . ?
 C2 C1 C5 Y1 -67.4(4) . . . . ?
 C2 C1 C5 C4 -0.7(7) . . . . ?
 C2 C1 C5 C6 175.5(7) . . . . ?
 C2 C3 C4 Y1 69.6(4) . . . . ?
 C2 C3 C4 C5 0.8(7) . . . . ?
 C3 C4 C5 Y1 67.4(5) . . . . ?
 C3 C4 C5 C1 -0.1(7) . . . . ?
 C3 C4 C5 C6 -176.6(6) . . . . ?
 C5 C1 C2 Y1 68.1(4) . . . . ?
 C5 C1 C2 C3 1.2(7) . . . . ?
 C7 C8 C9 Y1 68.2(4) . . . . ?
 C7 C8 C9 C10 0.5(6) . . . . ?
 C8 C7 C11 Y1 -68.3(4) . . . . ?
 C8 C7 C11 C10 -1.2(7) . . . . ?
 C8 C7 C11 C12 171.3(6) . . . . ?
 C8 C9 C10 Y1 67.5(4) . . . . ?
 C8 C9 C10 C11 -1.3(6) . . . . ?
 C9 C10 C11 Y1 68.4(4) . . . . ?
 C9 C10 C11 C7 1.5(7) . . . . ?
 C9 C10 C11 C12 -170.4(6) . . . . ?
 C11 C7 C8 Y1 68.8(4) . . . . ?
 C11 C7 C8 C9 0.4(6) . . . . ?
 C13 C14 C15 C16 1.4(8) . . . . ?
 C14 C13 C18 C17 3.8(8) . . . . ?
 C14 C13 C18 C19 -177.5(6) . . . . ?
 C14 C15 C16 C17 1.9(8) . . . . ?
 C14 C15 C16 C21 -176.4(6) . . . . ?
 C15 C16 C17 C18 -2.4(9) . . . . ?
 C16 C17 C18 C13 -0.5(9) . . . . ?
 C16 C17 C18 C19 -179.2(7) . . . . ?
 C18 C13 C14 C15 -4.3(8) . . . . ?
 C18 C13 C14 C20 179.5(5) . . . . ?
 C20 C14 C15 C16 177.8(5) . . . . ?
 C21 C16 C17 C18 175.8(6) . . . . ?
 C22 C23 C24 Y2 -67.7(4) . . . . ?
 C22 C23 C24 C25 0.7(7) . . . . ?
 C23 C22 C26 Y2 67.8(4) . . . . ?
 C23 C22 C26 C25 0.5(6) . . . . ?
 C23 C22 C26 C27 -173.0(6) . . . . ?
 C23 C24 C25 Y2 -69.1(5) . . . . ?
 C23 C24 C25 C26 -0.4(7) . . . . ?
 C24 C25 C26 Y2 -67.9(5) . . . . ?
 C24 C25 C26 C22 -0.1(7) . . . . ?
 C24 C25 C26 C27 173.3(6) . . . . ?
 C26 C22 C23 Y2 -67.6(4) . . . . ?
 C26 C22 C23 C24 -0.8(7) . . . . ?
 C28 C29 C30 Y2 -67.5(5) . . . . ?
 C28 C29 C30 C31 0.9(8) . . . . ?
 C29 C28 C32 Y2 68.9(5) . . . . ?
 C29 C28 C32 C31 1.5(8) . . . . ?
 C29 C28 C32 C1I -163.3(7) . . . . ?
 C29 C30 C31 Y2 -68.5(5) . . . . ?
 C29 C30 C31 C32 0.1(7) . . . . ?
 C30 C31 C32 Y2 -68.2(4) . . . . ?
 C30 C31 C32 C28 -1.0(7) . . . . ?
 C30 C31 C32 C1I 163.4(7) . . . . ?
 C32 C28 C29 Y2 -69.0(5) . . . . ?
 C32 C28 C29 C30 -1.5(8) . . . . ?
 C34 C35 C36 C37 -0.6(10) . . . . ?
 C35 C34 C39 C38 1.6(8) . . . . ?
 C35 C34 C39 C42 -179.1(6) . . . . ?
 C35 C36 C37 C38 1.2(10) . . . . ?
 C35 C36 C37 C41 -178.3(6) . . . . ?
 C36 C37 C38 C39 -0.4(9) . . . . ?
 C37 C38 C39 C34 -1.1(8) . . . . ?
 C37 C38 C39 C42 179.7(6) . . . . ?
 C39 C34 C35 C36 -0.9(8) . . . . ?
 C39 C34 C35 C40 179.5(6) . . . . ?
 C40 C35 C36 C37 179.1(7) . . . . ?
 C41 C37 C38 C39 179.1(6) . . . . ?
 C43 C44 C45 Y3 68.2(4) . . . . ?
 C43 C44 C45 C46 0.7(7) . . . . ?
 C44 C43 C47 Y3 -68.4(4) . . . . ?
 C44 C43 C47 C46 -2.1(7) . . . . ?
 C44 C43 C47 C1H 162.7(7) . . . . ?
 C44 C45 C46 Y3 67.2(5) . . . . ?
 C44 C45 C46 C47 -2.1(8) . . . . ?
 C45 C46 C47 Y3 68.8(5) . . . . ?
 C45 C46 C47 C43 2.7(8) . . . . ?
 C45 C46 C47 C1H -161.7(7) . . . . ?
 C47 C43 C44 Y3 70.5(4) . . . . ?
 C47 C43 C44 C45 0.9(7) . . . . ?
 C49 C50 C51 C52 -1.3(9) . . . . ?
 C50 C49 C54 C53 0.1(8) . . . . ?
 C50 C49 C54 C57 179.7(6) . . . . ?
 C50 C51 C52 C53 0.2(9) . . . . ?
 C50 C51 C52 C56 -176.9(6) . . . . ?
 C51 C52 C53 C54 1.1(9) . . . . ?
 C52 C53 C54 C49 -1.2(9) . . . . ?
 C52 C53 C54 C57 179.2(6) . . . . ?
 C54 C49 C50 C51 1.2(8) . . . . ?
 C54 C49 C50 C55 -179.3(6) . . . . ?
 C55 C50 C51 C52 179.1(6) . . . . ?
 C56 C52 C53 C54 178.2(6) . . . . ?
 C100 C101 C102 Y3 66.4(6) . . . . ?
 C100 C101 C102 C103 0.0 . . . . ?
 C101 C100 C104 Y3 -69.0(4) . . . . ?
 C101 C100 C104 C103 0.0 . . . . ?
 C101 C100 C104 C105 172.2(18) . . . . ?
 C101 C102 C103 Y3 65.6(4) . . . . ?
 C101 C102 C103 C104 0.0 . . . . ?
 C102 C103 C104 Y3 67.1(6) . . . . ?
 C102 C103 C104 C100 0.0 . . . . ?
 C102 C103 C104 C105 -173.5(15) . . . . ?
 C104 C100 C101 Y3 68.5(5) . . . . ?
 C104 C100 C101 C102 0.0 . . . . ?
 C1A C2A C2M C2C -174.0(12) . . . . ?
 C1A C2A C2M C2K -1(2) . . . . ?
 C1A C2I C2J C2K 0.8(16) . . . . ?
 C2A C1A C2I C2J 1(2) . . . . ?
 C2I C1A C2A C2M -1(2) . . . . ?
 C2I C2J C2K C2M -2.5(16) . . . . ?
 C2J C2K C2M C2A 2.6(19) . . . . ?
 C2J C2K C2M C2C 175.4(11) . . . . ?
 C1B C1C C1D C1E 0.6(17) . . . . ?
 C1C C1B C1F C1E -1.5(19) . . . . ?
 C1C C1D C1E C1F -1.5(15) . . . . ?
 C1C C1D C1E C1G 176.5(12) . . . . ?
 C1D C1E C1F C1B 1.8(17) . . . . ?
 C1F C1B C1C C1D 0.5(18) . . . . ?
 C1G C1E C1F C1B -175.4(18) . . . . ?


data_6
_audit_creation_date              2015-01-07
_audit_creation_method
;
Olex2 1.2
(compiled 2014.11.28 svn.r3106 for OlexSys, GUI svn.r4959)
;
_shelxl_version_number            2013-2
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common             ?
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety          'C63 H75 Li P3 Y3, 2(C16 H32 Li O4), C4 H8 O'
_chemical_formula_sum             'C99 H147 Li3 O9 P3 Y3'
_chemical_formula_weight          1861.62
_chemical_melting_point           ?
_chemical_oxdiff_formula          'Fe1 P4 C48 H40 Cl1'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Li' 'Li' -0.0003 0.0001
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Y' 'Y' -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system       'monoclinic'
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 1 21/c 1'
_space_group_name_Hall            '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                    22.3184(10)
_cell_length_b                    15.7523(10)
_cell_length_c                    27.9702(14)
_cell_angle_alpha                 90
_cell_angle_beta                  95.358(4)
_cell_angle_gamma                 90
_cell_volume                      9790.4(9)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     4397
_cell_measurement_temperature     150.01(12)
_cell_measurement_theta_max       23.1650
_cell_measurement_theta_min       3.2980
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     1.865
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_correction_T_min   0.88124
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour             'clear light orange'
_exptl_crystal_colour_lustre      clear
_exptl_crystal_colour_modifier    light
_exptl_crystal_colour_primary     orange
_exptl_crystal_density_diffrn     1.263
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        plate
_exptl_crystal_F_000              3936
_exptl_crystal_preparation        'crystallised from THF'
_exptl_crystal_recrystallization_method 'crystallised from THF'
_exptl_crystal_size_max           0.5
_exptl_crystal_size_mid           0.1
_exptl_crystal_size_min           0.02
_exptl_special_details
;
 ?
;
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0797
_diffrn_reflns_av_unetI/netI      0.1384
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max        26
_diffrn_reflns_limit_h_min        -26
_diffrn_reflns_limit_k_max        17
_diffrn_reflns_limit_k_min        -18
_diffrn_reflns_limit_l_max        33
_diffrn_reflns_limit_l_min        -30
_diffrn_reflns_number             37632
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full         25.350
_diffrn_reflns_theta_max          25.350
_diffrn_reflns_theta_min          3.256
_diffrn_ambient_temperature       150.01(12)
_diffrn_detector_area_resol_mean  8.0714
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -20.00   26.00   1.0000   85.0000
omega____ theta____ kappa____ phi______ frames
    -      -22.8162  -99.0000    0.0000 46

#__ type_ start__ end____ width___ exp.time_
  2 omega  -84.00    4.00   1.0000   85.0000
omega____ theta____ kappa____ phi______ frames
    -      -22.8162  -57.0000  -60.0000 88

#__ type_ start__ end____ width___ exp.time_
  3 omega   35.00   85.00   1.0000   85.0000
omega____ theta____ kappa____ phi______ frames
    -       23.9100  178.0000  -30.0000 50

#__ type_ start__ end____ width___ exp.time_
  4 omega   21.00  101.00   1.0000   85.0000
omega____ theta____ kappa____ phi______ frames
    -       23.9100   37.0000 -150.0000 80
;
_diffrn_measurement_device_type   'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method        'ω scans'
_diffrn_orient_matrix_UB_11       -0.0230226000
_diffrn_orient_matrix_UB_12       0.0255735000
_diffrn_orient_matrix_UB_13       -0.0117737000
_diffrn_orient_matrix_UB_21       -0.0035402000
_diffrn_orient_matrix_UB_22       0.0211775000
_diffrn_orient_matrix_UB_23       0.0219354000
_diffrn_orient_matrix_UB_31       0.0218209000
_diffrn_orient_matrix_UB_32       0.0304212000
_diffrn_orient_matrix_UB_33       -0.0053822000
_diffrn_radiation_monochromator   mirror
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 10127
_reflns_number_total              17853
_reflns_odcompleteness_completeness 99.71
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      26.32
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression      'I > 2σ(I)'
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
;
_computing_molecular_graphics     'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material   'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement   'ShelXL (Sheldrick, 2008)'
_computing_structure_solution     'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max          0.407
_refine_diff_density_min          -0.407
_refine_diff_density_rms          0.078
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    0.992
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      1275
_refine_ls_number_reflns          17853
_refine_ls_number_restraints      333
_refine_ls_R_factor_all           0.1366
_refine_ls_R_factor_gt            0.0607
_refine_ls_restrained_S_all       0.993
_refine_ls_shift/su_max           0.003
_refine_ls_shift/su_mean          0.000
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0287P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.0881
_refine_ls_wR_factor_ref          0.1080
_refine_special_details
;
Owing to the large degree of disorder within the compound the use of 
constraints and restraints including RIGU, ISOR, DFIX and EADP was 
deemed neccessary in order to achieve a good model.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O9A-C98A
 1.42 with sigma of 0.02
 O9A-C95A
 1.42 with sigma of 0.02
 C95A-C96A
 1.54 with sigma of 0.02
 C98A-C97A
 1.54 with sigma of 0.02
 C97A-C96A
 1.39 with sigma of 0.02
 O9A-C96A
 2.346 with sigma of 0.02
 O9A-C97A
 2.346 with sigma of 0.02
 C98A-C96A
 2.335 with sigma of 0.02
 C95A-C97A
 2.335 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C93) \\sim Ueq, Uanis(C94) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C71A) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C74A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O9A) = Uanis(C95A) = Uanis(C96A) = Uanis(C97A) = Uanis(C98A)
4. Rigid body (RIGU) restrains
 O5A, C91A, C92A, C93A, C94A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O6A, C83A, C84A, C85A, C86A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O7, C87, C88, C89, C90
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O7A, C87A, C88A, C89A, C90A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O9, C95, C96, C97, C98
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O9A, C95A, C96A, C97A, C98A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O6, C83, C84, C85, C86
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O5, C91, C92, C93, C94
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O3, C71, C72, C73, C74
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O3A, C71A, C72A, C73A, C74A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(O5A)=Sof(C91A)=Sof(H91C)=Sof(H91D)=Sof(C92A)=Sof(H92C)=Sof(H92D)=
 Sof(C93A)=Sof(H93C)=Sof(H93D)=Sof(C94A)=Sof(H94C)=Sof(H94D)=1-FVAR(1)
 Sof(O5)=Sof(C91)=Sof(H91A)=Sof(H91B)=Sof(C92)=Sof(H92A)=Sof(H92B)=Sof(C93)=
 Sof(H93A)=Sof(H93B)=Sof(C94)=Sof(H94A)=Sof(H94B)=FVAR(1)
 Sof(O6A)=Sof(C83A)=Sof(H83C)=Sof(H83D)=Sof(C84A)=Sof(H84C)=Sof(H84D)=
 Sof(C85A)=Sof(H85C)=Sof(H85D)=Sof(C86A)=Sof(H86C)=Sof(H86D)=1-FVAR(2)
 Sof(O6)=Sof(C83)=Sof(H83A)=Sof(H83B)=Sof(C84)=Sof(H84A)=Sof(H84B)=Sof(C85)=
 Sof(H85A)=Sof(H85B)=Sof(C86)=Sof(H86A)=Sof(H86B)=FVAR(2)
 Sof(O7A)=Sof(C87A)=Sof(H87C)=Sof(H87D)=Sof(C88A)=Sof(H88C)=Sof(H88D)=
 Sof(C89A)=Sof(H89C)=Sof(H89D)=Sof(C90A)=Sof(H90C)=Sof(H90D)=1-FVAR(3)
 Sof(O7)=Sof(C87)=Sof(H87A)=Sof(H87B)=Sof(C88)=Sof(H88A)=Sof(H88B)=Sof(C89)=
 Sof(H89A)=Sof(H89B)=Sof(C90)=Sof(H90A)=Sof(H90B)=FVAR(3)
 Sof(O9A)=Sof(C95A)=Sof(H95C)=Sof(H95D)=Sof(C96A)=Sof(H96C)=Sof(H96D)=
 Sof(C97A)=Sof(H97C)=Sof(H97D)=Sof(C98A)=Sof(H98C)=Sof(H98D)=1-FVAR(4)
 Sof(O9)=Sof(C95)=Sof(H95A)=Sof(H95B)=Sof(C96)=Sof(H96A)=Sof(H96B)=Sof(C97)=
 Sof(H97A)=Sof(H97B)=Sof(C98)=Sof(H98A)=Sof(H98B)=FVAR(4)
 Sof(C71A)=Sof(H71C)=Sof(H71D)=Sof(O3A)=Sof(C74A)=Sof(H74C)=Sof(H74D)=
 Sof(C73A)=Sof(H73C)=Sof(H73D)=Sof(C72A)=Sof(H72C)=Sof(H72D)=1-FVAR(5)
 Sof(O3)=Sof(C71)=Sof(H71A)=Sof(H71B)=Sof(C72)=Sof(H72A)=Sof(H72B)=Sof(C73)=
 Sof(H73A)=Sof(H73B)=Sof(C74)=Sof(H74A)=Sof(H74B)=FVAR(5)
6.a Secondary CH2 refined with riding coordinates:
 C79(H79A,H79B), C80(H80A,H80B), C81(H81A,H81B), C82(H82A,H82B), C83(H83A,
 H83B), C83A(H83C,H83D), C84(H84A,H84B), C84A(H84C,H84D), C85(H85A,H85B),
 C85A(H85C,H85D), C86(H86A,H86B), C86A(H86C,H86D), C87(H87A,H87B), C87A(H87C,
 H87D), C88(H88A,H88B), C88A(H88C,H88D), C89(H89A,H89B), C89A(H89C,H89D),
 C90(H90A,H90B), C90A(H90C,H90D), C91(H91A,H91B), C91A(H91C,H91D), C92(H92A,
 H92B), C92A(H92C,H92D), C93(H93A,H93B), C93A(H93C,H93D), C94(H94A,H94B),
 C94A(H94C,H94D), C63(H63A,H63B), C64(H64A,H64B), C65(H65A,H65B), C66(H66A,
 H66B), C67(H67A,H67B), C68(H68A,H68B), C69(H69A,H69B), C70(H70A,H70B),
 C71(H71A,H71B), C72(H72A,H72B), C73(H73A,H73B), C74(H74A,H74B), C75(H75A,H75B),
  C76(H76A,H76B), C77(H77A,H77B), C78(H78A,H78B), C95(H95A,H95B), C95A(H95C,
 H95D), C96(H96A,H96B), C96A(H96C,H96D), C97(H97A,H97B), C97A(H97C,H97D),
 C98(H98A,H98B), C98A(H98C,H98D), C71A(H71C,H71D), C74A(H74C,H74D), C73A(H73C,
 H73D), C72A(H72C,H72D)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C13(H13),
 C14(H14), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C22(H22), C25(H25),
  C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33), C34(H34),
 C39(H39), C41(H41), C48(H48), C50(H50), C57(H57), C59(H59)
6.c Idealised Me refined as rotating group:
 C0AA(H0AA,H0AB,H0AC), C6(H6A,H6B,H6C), C12(H12A,H12B,H12C), C18(H18A,H18B,
 H18C), C24(H24A,H24B,H24C), C30(H30A,H30B,H30C), C36(H36A,H36B,H36C), C43(H43A,
 H43B,H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C52(H52A,H52B,H52C),
 C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C61(H61A,H61B,H61C), C62(H62A,H62B,
 H62C)
;
_atom_sites_solution_hydrogens    geom
_atom_sites_solution_primary      heavy
_atom_sites_solution_secondary    ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Y1 Y 0.87419(2) 0.65960(3) 0.37546(2) 0.02769(13) Uani 1 1 d . . . . .
 Y2 Y 0.74804(2) 0.72826(3) 0.51516(2) 0.03009(13) Uani 1 1 d . . . . .
 Y3 Y 0.67099(2) 0.81626(3) 0.34377(2) 0.02897(13) Uani 1 1 d . . . . .
 P1 P 0.85339(5) 0.70542(8) 0.46947(4) 0.0287(3) Uani 1 1 d . . . . .
 P2 P 0.69451(5) 0.83769(9) 0.44329(4) 0.0304(3) Uani 1 1 d . . . . .
 P3 P 0.79164(5) 0.77941(8) 0.33516(4) 0.0278(3) Uani 1 1 d . . . . .
 C0AA C 0.84541(19) 0.9717(3) 0.34050(16) 0.0403(13) Uani 1 1 d . . . . .
 H0AA H 0.8078 0.9603 0.3534 0.060 Uiso 1 1 calc GR . . . .
 H0AB H 0.8487 1.0314 0.3345 0.060 Uiso 1 1 calc GR . . . .
 H0AC H 0.8780 0.9541 0.3632 0.060 Uiso 1 1 calc GR . . . .
 C1 C 0.8857(2) 0.4890(3) 0.36117(18) 0.0382(13) Uani 1 1 d . . . . .
 H1 H 0.9244 0.4670 0.3615 0.046 Uiso 1 1 calc R . . . .
 C2 C 0.8516(2) 0.5224(3) 0.32064(17) 0.0381(13) Uani 1 1 d . . . . .
 H2 H 0.8640 0.5270 0.2899 0.046 Uiso 1 1 calc R . . . .
 C3 C 0.7961(2) 0.5471(3) 0.33466(16) 0.0337(12) Uani 1 1 d . . . . .
 H3 H 0.7645 0.5704 0.3149 0.040 Uiso 1 1 calc R . . . .
 C4 C 0.79630(19) 0.5306(3) 0.38407(17) 0.0331(12) Uani 1 1 d . . . . .
 H4 H 0.7648 0.5418 0.4027 0.040 Uiso 1 1 calc R . . . .
 C5 C 0.8523(2) 0.4943(3) 0.40094(17) 0.0346(12) Uani 1 1 d . . . . .
 C6 C 0.8712(2) 0.4603(3) 0.45021(17) 0.0456(14) Uani 1 1 d . . . . .
 H6A H 0.9129 0.4445 0.4522 0.068 Uiso 1 1 calc GR . . . .
 H6B H 0.8473 0.4114 0.4562 0.068 Uiso 1 1 calc GR . . . .
 H6C H 0.8654 0.5032 0.4737 0.068 Uiso 1 1 calc GR . . . .
 C7 C 0.97913(18) 0.7420(3) 0.39296(19) 0.0385(13) Uani 1 1 d . . . . .
 H7 H 0.9853 0.7718 0.4217 0.046 Uiso 1 1 calc R . . . .
 C8 C 0.95362(19) 0.7745(4) 0.3494(2) 0.0453(15) Uani 1 1 d . . . . .
 H8 H 0.9398 0.8297 0.3441 0.054 Uiso 1 1 calc R . . . .
 C9 C 0.9524(2) 0.7107(4) 0.3156(2) 0.0507(16) Uani 1 1 d . . . . .
 H9 H 0.9372 0.7155 0.2837 0.061 Uiso 1 1 calc R . . . .
 C10 C 0.9776(2) 0.6383(4) 0.3371(2) 0.0446(15) Uani 1 1 d . . . . .
 H10 H 0.9829 0.5866 0.3220 0.054 Uiso 1 1 calc R . . . .
 C11 C 0.99401(18) 0.6565(4) 0.3860(2) 0.0412(14) Uani 1 1 d . . . . .
 C12 C 1.0219(2) 0.6002(4) 0.4240(2) 0.0627(17) Uani 1 1 d . . . . .
 H12A H 1.0240 0.6291 0.4543 0.094 Uiso 1 1 calc GR . . . .
 H12B H 1.0618 0.5853 0.4168 0.094 Uiso 1 1 calc GR . . . .
 H12C H 0.9982 0.5497 0.4256 0.094 Uiso 1 1 calc GR . . . .
 C13 C 0.7328(2) 0.5590(3) 0.50081(18) 0.0406(14) Uani 1 1 d . . . . .
 H13 H 0.7648 0.5301 0.4893 0.049 Uiso 1 1 calc R . . . .
 C14 C 0.6866(2) 0.5992(3) 0.47243(18) 0.0394(13) Uani 1 1 d . . . . .
 H14 H 0.6824 0.6017 0.4391 0.047 Uiso 1 1 calc R . . . .
 C15 C 0.6478(2) 0.6351(3) 0.5034(2) 0.0512(16) Uani 1 1 d . . . . .
 H15 H 0.6131 0.6662 0.4943 0.061 Uiso 1 1 calc R . . . .
 C16 C 0.6706(3) 0.6158(4) 0.5504(2) 0.0620(18) Uani 1 1 d . . . . .
 H16 H 0.6533 0.6318 0.5780 0.074 Uiso 1 1 calc R . . . .
 C17 C 0.7235(2) 0.5689(4) 0.54938(19) 0.0492(15) Uani 1 1 d . . . . .
 C18 C 0.7611(3) 0.5276(4) 0.5909(2) 0.086(2) Uani 1 1 d . . . . .
 H18A H 0.8029 0.5315 0.5856 0.129 Uiso 1 1 calc GR . . . .
 H18B H 0.7499 0.4690 0.5931 0.129 Uiso 1 1 calc GR . . . .
 H18C H 0.7544 0.5562 0.6202 0.129 Uiso 1 1 calc GR . . . .
 C19 C 0.7535(3) 0.8711(4) 0.56678(18) 0.0557(16) Uani 1 1 d . . . . .
 H19 H 0.7360 0.9192 0.5523 0.067 Uiso 1 1 calc R . . . .
 C20 C 0.8118(3) 0.8460(4) 0.56482(17) 0.0516(15) Uani 1 1 d . . . . .
 H20 H 0.8405 0.8742 0.5487 0.062 Uiso 1 1 calc R . . . .
 C21 C 0.8209(2) 0.7725(4) 0.59053(16) 0.0414(14) Uani 1 1 d . . . . .
 H21 H 0.8568 0.7423 0.5949 0.050 Uiso 1 1 calc R . . . .
 C22 C 0.7675(2) 0.7506(4) 0.60906(15) 0.0418(14) Uani 1 1 d . . . . .
 H22 H 0.7616 0.7032 0.6279 0.050 Uiso 1 1 calc R . . . .
 C23 C 0.7241(2) 0.8115(4) 0.59463(18) 0.0528(16) Uani 1 1 d . . . . .
 C24 C 0.6608(2) 0.8156(5) 0.6091(2) 0.099(3) Uani 1 1 d . . . . .
 H24A H 0.6358 0.8463 0.5852 0.149 Uiso 1 1 calc GR . . . .
 H24B H 0.6608 0.8440 0.6395 0.149 Uiso 1 1 calc GR . . . .
 H24C H 0.6454 0.7590 0.6118 0.149 Uiso 1 1 calc GR . . . .
 C25 C 0.60282(19) 0.6842(3) 0.36963(18) 0.0388(13) Uani 1 1 d . . . . .
 H25 H 0.5988 0.6777 0.4022 0.047 Uiso 1 1 calc R . . . .
 C26 C 0.6491(2) 0.6499(3) 0.34474(18) 0.0430(14) Uani 1 1 d . . . . .
 H26 H 0.6812 0.6172 0.3579 0.052 Uiso 1 1 calc R . . . .
 C27 C 0.6381(2) 0.6739(3) 0.29648(19) 0.0456(15) Uani 1 1 d . . . . .
 H27 H 0.6619 0.6603 0.2720 0.055 Uiso 1 1 calc R . . . .
 C28 C 0.5850(2) 0.7219(3) 0.29159(18) 0.0463(15) Uani 1 1 d . . . . .
 H28 H 0.5670 0.7445 0.2631 0.056 Uiso 1 1 calc R . . . .
 C29 C 0.5636(2) 0.7300(4) 0.33692(18) 0.0441(14) Uani 1 1 d . . . . .
 C30 C 0.5066(2) 0.7748(4) 0.34816(18) 0.0672(19) Uani 1 1 d . . . . .
 H30A H 0.5159 0.8322 0.3578 0.101 Uiso 1 1 calc GR . . . .
 H30B H 0.4894 0.7456 0.3738 0.101 Uiso 1 1 calc GR . . . .
 H30C H 0.4783 0.7750 0.3201 0.101 Uiso 1 1 calc GR . . . .
 C31 C 0.6955(2) 0.9567(3) 0.29479(19) 0.0453(14) Uani 1 1 d . . . . .
 H31 H 0.7344 0.9627 0.2860 0.054 Uiso 1 1 calc R . . . .
 C32 C 0.6749(3) 0.9846(3) 0.3377(2) 0.0540(16) Uani 1 1 d . . . . .
 H32 H 0.6977 1.0122 0.3626 0.065 Uiso 1 1 calc R . . . .
 C33 C 0.6150(3) 0.9640(4) 0.3368(2) 0.0590(17) Uani 1 1 d . . . . .
 H33 H 0.5903 0.9748 0.3611 0.071 Uiso 1 1 calc R . . . .
 C34 C 0.5974(2) 0.9245(4) 0.2935(2) 0.0512(16) Uani 1 1 d . . . . .
 H34 H 0.5589 0.9052 0.2837 0.061 Uiso 1 1 calc R . . . .
 C35 C 0.6475(2) 0.9184(3) 0.26723(18) 0.0429(14) Uani 1 1 d . . . . .
 C36 C 0.6503(3) 0.8801(4) 0.21796(19) 0.0723(19) Uani 1 1 d . . . . .
 H36A H 0.6913 0.8798 0.2101 0.108 Uiso 1 1 calc GR . . . .
 H36B H 0.6261 0.9131 0.1947 0.108 Uiso 1 1 calc GR . . . .
 H36C H 0.6354 0.8229 0.2179 0.108 Uiso 1 1 calc GR . . . .
 C37 C 0.92082(18) 0.7521(3) 0.50317(15) 0.0278(12) Uani 1 1 d . . . . .
 C38 C 0.94146(19) 0.8360(3) 0.49584(16) 0.0338(12) Uani 1 1 d . . . . .
 C39 C 0.9943(2) 0.8651(3) 0.51987(17) 0.0429(14) Uani 1 1 d . . . . .
 H39 H 1.0069 0.9200 0.5137 0.051 Uiso 1 1 calc R . . . .
 C40 C 1.0295(2) 0.8162(4) 0.55280(18) 0.0441(14) Uani 1 1 d . . . . .
 C41 C 1.00903(19) 0.7351(4) 0.56093(16) 0.0391(13) Uani 1 1 d . . . . .
 H41 H 1.0314 0.7009 0.5830 0.047 Uiso 1 1 calc R . . . .
 C42 C 0.9560(2) 0.7026(3) 0.53724(16) 0.0329(12) Uani 1 1 d . . . . .
 C43 C 0.9077(2) 0.8939(3) 0.46033(18) 0.0461(14) Uani 1 1 d . . . . .
 H43A H 0.9049 0.8683 0.4291 0.069 Uiso 1 1 calc GR . . . .
 H43B H 0.9286 0.9471 0.4594 0.069 Uiso 1 1 calc GR . . . .
 H43C H 0.8680 0.9034 0.4698 0.069 Uiso 1 1 calc GR . . . .
 C44 C 1.0876(2) 0.8484(4) 0.57843(19) 0.0686(19) Uani 1 1 d . . . . .
 H44A H 1.0788 0.8861 0.6039 0.103 Uiso 1 1 calc GR . . . .
 H44B H 1.1100 0.8784 0.5561 0.103 Uiso 1 1 calc GR . . . .
 H44C H 1.1109 0.8013 0.5916 0.103 Uiso 1 1 calc GR . . . .
 C45 C 0.9392(2) 0.6132(3) 0.54771(17) 0.0474(15) Uani 1 1 d . . . . .
 H45A H 0.8977 0.6111 0.5540 0.071 Uiso 1 1 calc GR . . . .
 H45B H 0.9640 0.5931 0.5753 0.071 Uiso 1 1 calc GR . . . .
 H45C H 0.9452 0.5780 0.5205 0.071 Uiso 1 1 calc GR . . . .
 C46 C 0.66806(17) 0.9379(3) 0.46797(15) 0.0278(11) Uani 1 1 d . . . . .
 C47 C 0.61027(18) 0.9403(3) 0.48616(15) 0.0294(12) Uani 1 1 d . . . . .
 C48 C 0.59242(19) 1.0123(3) 0.51001(16) 0.0350(13) Uani 1 1 d . . . . .
 H48 H 0.5552 1.0118 0.5224 0.042 Uiso 1 1 calc R . . . .
 C49 C 0.6273(2) 1.0840(3) 0.51609(16) 0.0357(13) Uani 1 1 d . . . . .
 C50 C 0.68286(19) 1.0832(3) 0.49769(15) 0.0350(13) Uani 1 1 d . . . . .
 H50 H 0.7071 1.1312 0.5012 0.042 Uiso 1 1 calc R . . . .
 C51 C 0.70342(19) 1.0124(3) 0.47394(15) 0.0306(12) Uani 1 1 d . . . . .
 C52 C 0.56922(18) 0.8651(3) 0.48103(18) 0.0448(15) Uani 1 1 d . . . . .
 H52A H 0.5639 0.8480 0.4480 0.067 Uiso 1 1 calc GR . . . .
 H52B H 0.5309 0.8798 0.4917 0.067 Uiso 1 1 calc GR . . . .
 H52C H 0.5865 0.8191 0.5002 0.067 Uiso 1 1 calc GR . . . .
 C53 C 0.6059(2) 1.1611(3) 0.54213(18) 0.0552(16) Uani 1 1 d . . . . .
 H53A H 0.5867 1.1431 0.5697 0.083 Uiso 1 1 calc GR . . . .
 H53B H 0.5778 1.1926 0.5209 0.083 Uiso 1 1 calc GR . . . .
 H53C H 0.6398 1.1965 0.5523 0.083 Uiso 1 1 calc GR . . . .
 C54 C 0.76607(17) 1.0167(3) 0.45842(16) 0.0423(14) Uani 1 1 d . . . . .
 H54A H 0.7935 0.9885 0.4817 0.064 Uiso 1 1 calc GR . . . .
 H54B H 0.7778 1.0750 0.4558 0.064 Uiso 1 1 calc GR . . . .
 H54C H 0.7669 0.9893 0.4278 0.064 Uiso 1 1 calc GR . . . .
 C55 C 0.82595(18) 0.8411(3) 0.28817(15) 0.0277(11) Uani 1 1 d . . . . .
 C56 C 0.83097(18) 0.8015(3) 0.24326(16) 0.0330(12) Uani 1 1 d . . . . .
 C57 C 0.8585(2) 0.8435(4) 0.20773(16) 0.0460(15) Uani 1 1 d . . . . .
 H57 H 0.8620 0.8161 0.1787 0.055 Uiso 1 1 calc R . . . .
 C58 C 0.8808(2) 0.9250(4) 0.21431(18) 0.0532(17) Uani 1 1 d . . . . .
 C59 C 0.8747(2) 0.9639(4) 0.25740(17) 0.0490(15) Uani 1 1 d . . . . .
 H59 H 0.8888 1.0191 0.2621 0.059 Uiso 1 1 calc R . . . .
 C60 C 0.84803(19) 0.9237(3) 0.29444(16) 0.0339(12) Uani 1 1 d . . . . .
 C61 C 0.8054(2) 0.7147(3) 0.23197(16) 0.0402(13) Uani 1 1 d . . . . .
 H61A H 0.8262 0.6736 0.2528 0.060 Uiso 1 1 calc GR . . . .
 H61B H 0.8104 0.7007 0.1992 0.060 Uiso 1 1 calc GR . . . .
 H61C H 0.7634 0.7142 0.2368 0.060 Uiso 1 1 calc GR . . . .
 C62 C 0.9114(3) 0.9704(4) 0.17483(18) 0.090(2) Uani 1 1 d . . . . .
 H62A H 0.9538 0.9586 0.1785 0.135 Uiso 1 1 calc GR . . . .
 H62B H 0.9050 1.0304 0.1772 0.135 Uiso 1 1 calc GR . . . .
 H62C H 0.8945 0.9506 0.1440 0.135 Uiso 1 1 calc GR . . . .
 Li1 Li 0.7997(3) 0.8234(5) 0.4202(3) 0.0301(19) Uani 1 1 d . . . . .
 O0AA O 0.84585(16) 1.1966(3) 0.60692(13) 0.0600(11) Uani 1 1 d . . . . .
 O5 O 0.8946(5) 1.1684(7) 0.7214(4) 0.098(4) Uani 0.606(7) 1 d . U P A 1
 O5A O 0.8645(6) 1.2004(9) 0.7157(4) 0.055(4) Uani 0.394(7) 1 d . U P A 2
 O6 O 0.8925(4) 1.0276(6) 0.6459(3) 0.060(2) Uani 0.647(8) 1 d . U P A 1
 O6A O 0.9043(8) 1.0401(11) 0.6714(7) 0.086(7) Uani 0.353(8) 1 d . U P A 2
 O7 O 0.7700(11) 1.0774(18) 0.6684(11) 0.074(7) Uani 0.46(3) 1 d . U P A 1
 O7A O 0.7714(9) 1.1074(15) 0.6749(7) 0.054(4) Uani 0.54(3) 1 d . U P A 2
 C79 C 0.8342(3) 1.2836(5) 0.6045(2) 0.090(2) Uani 1 1 d . . . . .
 H79A H 0.8710 1.3157 0.6119 0.108 Uiso 1 1 calc R . . . .
 H79B H 0.8057 1.2995 0.6271 0.108 Uiso 1 1 calc R . . . .
 C80 C 0.8083(4) 1.3001(5) 0.5536(3) 0.117(3) Uani 1 1 d . . . . .
 H80A H 0.7657 1.2866 0.5494 0.141 Uiso 1 1 calc R . . . .
 H80B H 0.8140 1.3588 0.5446 0.141 Uiso 1 1 calc R . . . .
 C81 C 0.8428(3) 1.2432(5) 0.5261(2) 0.096(2) Uani 1 1 d . . . . .
 H81A H 0.8787 1.2709 0.5167 0.115 Uiso 1 1 calc R . . . .
 H81B H 0.8189 1.2235 0.4975 0.115 Uiso 1 1 calc R . . . .
 C82 C 0.8586(3) 1.1716(5) 0.5598(2) 0.078(2) Uani 1 1 d . . . . .
 H82A H 0.8352 1.1217 0.5497 0.094 Uiso 1 1 calc R . . . .
 H82B H 0.9009 1.1578 0.5597 0.094 Uiso 1 1 calc R . . . .
 C83 C 0.9504(4) 1.0175(8) 0.6259(4) 0.094(4) Uani 0.647(8) 1 d . U P A 1
 H83A H 0.9437 0.9996 0.5927 0.112 Uiso 0.647(8) 1 calc R . P A 1
 H83B H 0.9714 1.0715 0.6269 0.112 Uiso 0.647(8) 1 calc R . P A 1
 C83A C 0.9611(7) 1.0402(12) 0.6952(7) 0.077(6) Uani 0.353(8) 1 d . U P A 2
 H83C H 0.9600 1.0542 0.7289 0.092 Uiso 0.353(8) 1 calc R . P A 2
 H83D H 0.9875 1.0796 0.6808 0.092 Uiso 0.353(8) 1 calc R . P A 2
 C84 C 0.9827(6) 0.9621(10) 0.6500(5) 0.097(4) Uani 0.647(8) 1 d . U P A 1
 H84A H 0.9978 0.9836 0.6814 0.117 Uiso 0.647(8) 1 calc R . P A 1
 H84B H 1.0161 0.9434 0.6329 0.117 Uiso 0.647(8) 1 calc R . P A 1
 C84A C 0.9808(10) 0.9473(15) 0.6886(12) 0.121(10) Uani 0.353(8) 1 d . U P A 2
 H84C H 1.0060 0.9440 0.6622 0.145 Uiso 0.353(8) 1 calc R . P A 2
 H84D H 1.0043 0.9280 0.7175 0.145 Uiso 0.353(8) 1 calc R . P A 2
 C85 C 0.9427(6) 0.9009(9) 0.6535(5) 0.077(4) Uani 0.647(8) 1 d . U P A 1
 H85A H 0.9575 0.8602 0.6778 0.093 Uiso 0.647(8) 1 calc R . P A 1
 H85B H 0.9354 0.8714 0.6230 0.093 Uiso 0.647(8) 1 calc R . P A 1
 C85A C 0.9324(8) 0.8967(14) 0.6794(8) 0.061(6) Uani 0.353(8) 1 d . U P A 2
 H85C H 0.9135 0.8818 0.7081 0.073 Uiso 0.353(8) 1 calc R . P A 2
 H85D H 0.9412 0.8459 0.6617 0.073 Uiso 0.353(8) 1 calc R . P A 2
 C86 C 0.8808(5) 0.9448(7) 0.6681(4) 0.053(3) Uani 0.647(8) 1 d . U P A 1
 H86A H 0.8450 0.9172 0.6532 0.063 Uiso 0.647(8) 1 calc R . P A 1
 H86B H 0.8792 0.9487 0.7025 0.063 Uiso 0.647(8) 1 calc R . P A 1
 C86A C 0.8936(14) 0.967(2) 0.6459(12) 0.117(11) Uani 0.353(8) 1 d . U P A 2
 H86C H 0.9080 0.9717 0.6143 0.140 Uiso 0.353(8) 1 calc R . P A 2
 H86D H 0.8510 0.9538 0.6425 0.140 Uiso 0.353(8) 1 calc R . P A 2
 C87 C 0.7178(13) 1.092(3) 0.6383(14) 0.092(11) Uani 0.46(3) 1 d . U P A 1
 H87A H 0.7181 1.0604 0.6086 0.110 Uiso 0.46(3) 1 calc R . P A 1
 H87B H 0.7131 1.1520 0.6308 0.110 Uiso 0.46(3) 1 calc R . P A 1
 C87A C 0.7286(11) 1.087(3) 0.6330(11) 0.066(6) Uani 0.54(3) 1 d . U P A 2
 H87C H 0.7485 1.0515 0.6108 0.079 Uiso 0.54(3) 1 calc R . P A 2
 H87D H 0.7158 1.1387 0.6164 0.079 Uiso 0.54(3) 1 calc R . P A 2
 C88 C 0.6700(12) 1.062(3) 0.6663(12) 0.107(12) Uani 0.46(3) 1 d . U P A 1
 H88A H 0.6453 1.1096 0.6749 0.129 Uiso 0.46(3) 1 calc R . P A 1
 H88B H 0.6446 1.0217 0.6479 0.129 Uiso 0.46(3) 1 calc R . P A 1
 C88A C 0.6729(9) 1.039(2) 0.6489(8) 0.075(6) Uani 0.54(3) 1 d . U P A 2
 H88C H 0.6424 1.0783 0.6580 0.090 Uiso 0.54(3) 1 calc R . P A 2
 H88D H 0.6554 1.0013 0.6240 0.090 Uiso 0.54(3) 1 calc R . P A 2
 C89 C 0.6993(13) 1.023(3) 0.7086(13) 0.132(14) Uani 0.46(3) 1 d . U P A 1
 H89A H 0.6944 1.0577 0.7367 0.159 Uiso 0.46(3) 1 calc R . P A 1
 H89B H 0.6820 0.9676 0.7135 0.159 Uiso 0.46(3) 1 calc R . P A 1
 C89A C 0.7020(10) 0.9907(18) 0.6917(8) 0.091(6) Uani 0.54(3) 1 d . U P A 2
 H89C H 0.7243 0.9417 0.6821 0.109 Uiso 0.54(3) 1 calc R . P A 2
 H89D H 0.6728 0.9730 0.7134 0.109 Uiso 0.54(3) 1 calc R . P A 2
 C90 C 0.7518(10) 1.016(3) 0.7025(12) 0.120(12) Uani 0.46(3) 1 d . U P A 1
 H90A H 0.7595 0.9597 0.6912 0.144 Uiso 0.46(3) 1 calc R . P A 1
 H90B H 0.7758 1.0245 0.7329 0.144 Uiso 0.46(3) 1 calc R . P A 1
 C90A C 0.7512(7) 1.0731(19) 0.7176(5) 0.081(6) Uani 0.54(3) 1 d . U P A 2
 H90C H 0.7295 1.1148 0.7348 0.097 Uiso 0.54(3) 1 calc R . P A 2
 H90D H 0.7842 1.0501 0.7387 0.097 Uiso 0.54(3) 1 calc R . P A 2
 C91 C 0.9472(4) 1.1433(7) 0.7474(3) 0.070(3) Uani 0.606(7) 1 d . U P A 1
 H91A H 0.9803 1.1441 0.7273 0.084 Uiso 0.606(7) 1 calc R . P A 1
 H91B H 0.9430 1.0860 0.7594 0.084 Uiso 0.606(7) 1 calc R . P A 1
 C91A C 0.8517(7) 1.1896(12) 0.7633(5) 0.073(5) Uani 0.394(7) 1 d . U P A 2
 H91C H 0.8127 1.2142 0.7673 0.088 Uiso 0.394(7) 1 calc R . P A 2
 H91D H 0.8495 1.1294 0.7702 0.088 Uiso 0.394(7) 1 calc R . P A 2
 C92 C 0.9587(5) 1.2022(7) 0.7871(4) 0.066(3) Uani 0.606(7) 1 d . U P A 1
 H92A H 0.9588 1.1720 0.8174 0.079 Uiso 0.606(7) 1 calc R . P A 1
 H92B H 0.9978 1.2285 0.7858 0.079 Uiso 0.606(7) 1 calc R . P A 1
 C92A C 0.8926(11) 1.2250(18) 0.7945(7) 0.142(12) Uani 0.394(7) 1 d . U P A 2
 H92C H 0.9149 1.1820 0.8135 0.170 Uiso 0.394(7) 1 calc R . P A 2
 H92D H 0.8736 1.2627 0.8160 0.170 Uiso 0.394(7) 1 calc R . P A 2
 C93 C 0.9145(8) 1.2633(13) 0.7841(7) 0.122(6) Uani 0.606(7) 1 d . U P A 1
 H93A H 0.9319 1.3197 0.7843 0.146 Uiso 0.606(7) 1 calc R . P A 1
 H93B H 0.8897 1.2586 0.8106 0.146 Uiso 0.606(7) 1 calc R . P A 1
 C93A C 0.9355(9) 1.2762(15) 0.7634(6) 0.080(7) Uani 0.394(7) 1 d . U P A 2
 H93C H 0.9419 1.3336 0.7755 0.096 Uiso 0.394(7) 1 calc R . P A 2
 H93D H 0.9741 1.2482 0.7630 0.096 Uiso 0.394(7) 1 calc R . P A 2
 C94 C 0.8793(9) 1.2466(13) 0.7387(7) 0.138(6) Uani 0.606(7) 1 d . U P A 1
 H94A H 0.8368 1.2475 0.7432 0.165 Uiso 0.606(7) 1 calc R . P A 1
 H94B H 0.8870 1.2904 0.7156 0.165 Uiso 0.606(7) 1 calc R . P A 1
 C94A C 0.9039(7) 1.2763(11) 0.7178(5) 0.058(5) Uani 0.394(7) 1 d . U P A 2
 H94C H 0.9315 1.2735 0.6931 0.069 Uiso 0.394(7) 1 calc R . P A 2
 H94D H 0.8800 1.3276 0.7131 0.069 Uiso 0.394(7) 1 calc R . P A 2
 Li3 Li 0.8502(4) 1.1279(6) 0.6634(3) 0.060(3) Uani 1 1 d . . . . .
 O1 O 0.57250(14) 0.3499(2) 0.46236(12) 0.0516(10) Uani 1 1 d . . . . .
 O2 O 0.67045(14) 0.2843(2) 0.39643(13) 0.0567(11) Uani 1 1 d . . . . .
 O3 O 0.5762(4) 0.4019(5) 0.3554(3) 0.051(2) Uani 0.697(12) 1 d . U P B 1
 O4 O 0.53818(14) 0.2144(2) 0.38102(12) 0.0483(10) Uani 1 1 d . . . . .
 C63 C 0.5153(2) 0.3569(4) 0.4803(2) 0.0666(19) Uani 1 1 d . . . . .
 H63A H 0.4938 0.3035 0.4764 0.080 Uiso 1 1 calc R . . . .
 H63B H 0.4916 0.4006 0.4630 0.080 Uiso 1 1 calc R . . . .
 C64 C 0.5256(3) 0.3790(5) 0.5317(2) 0.082(2) Uani 1 1 d . . . . .
 H64A H 0.4976 0.4225 0.5398 0.098 Uiso 1 1 calc R . . . .
 H64B H 0.5205 0.3295 0.5515 0.098 Uiso 1 1 calc R . . . .
 C65 C 0.5869(3) 0.4098(5) 0.5388(2) 0.091(2) Uani 1 1 d . . . . .
 H65A H 0.6088 0.3797 0.5651 0.109 Uiso 1 1 calc R . . . .
 H65B H 0.5872 0.4699 0.5465 0.109 Uiso 1 1 calc R . . . .
 C66 C 0.6151(3) 0.3954(4) 0.4940(2) 0.085(2) Uani 1 1 d . . . . .
 H66A H 0.6251 0.4491 0.4797 0.102 Uiso 1 1 calc R . . . .
 H66B H 0.6518 0.3626 0.5003 0.102 Uiso 1 1 calc R . . . .
 C67 C 0.7188(3) 0.3449(4) 0.3982(3) 0.100(3) Uani 1 1 d . . . . .
 H67A H 0.7388 0.3489 0.4304 0.120 Uiso 1 1 calc R . . . .
 H67B H 0.7038 0.4006 0.3883 0.120 Uiso 1 1 calc R . . . .
 C68 C 0.7610(3) 0.3119(4) 0.3640(3) 0.096(3) Uani 1 1 d . . . . .
 H68A H 0.7512 0.3351 0.3321 0.115 Uiso 1 1 calc R . . . .
 H68B H 0.8023 0.3264 0.3748 0.115 Uiso 1 1 calc R . . . .
 C69 C 0.7524(2) 0.2213(4) 0.3641(3) 0.085(2) Uani 1 1 d . . . . .
 H69A H 0.7813 0.1947 0.3875 0.102 Uiso 1 1 calc R . . . .
 H69B H 0.7576 0.1979 0.3326 0.102 Uiso 1 1 calc R . . . .
 C70 C 0.6898(2) 0.2062(3) 0.37674(19) 0.0527(15) Uani 1 1 d . . . . .
 H70A H 0.6637 0.1907 0.3484 0.063 Uiso 1 1 calc R . . . .
 H70B H 0.6892 0.1608 0.4001 0.063 Uiso 1 1 calc R . . . .
 C71 C 0.6068(4) 0.4145(6) 0.3129(3) 0.057(3) Uani 0.697(12) 1 d . U P B 1
 H71A H 0.6248 0.3617 0.3034 0.068 Uiso 0.697(12) 1 calc R . P B 1
 H71B H 0.6384 0.4565 0.3187 0.068 Uiso 0.697(12) 1 calc R . P B 1
 C72 C 0.5621(8) 0.4434(9) 0.2755(6) 0.068(5) Uani 0.697(12) 1 d . U P B 1
 H72A H 0.5397 0.3959 0.2608 0.081 Uiso 0.697(12) 1 calc R . P B 1
 H72B H 0.5809 0.4741 0.2508 0.081 Uiso 0.697(12) 1 calc R . P B 1
 C73 C 0.5222(10) 0.4999(13) 0.3005(6) 0.057(4) Uani 0.697(12) 1 d . U P B 1
 H73A H 0.4816 0.4993 0.2848 0.069 Uiso 0.697(12) 1 calc R . P B 1
 H73B H 0.5372 0.5577 0.3015 0.069 Uiso 0.697(12) 1 calc R . P B 1
 C74 C 0.5240(7) 0.4627(14) 0.3505(6) 0.064(5) Uani 0.697(12) 1 d . U P B 1
 H74A H 0.5295 0.5072 0.3744 0.077 Uiso 0.697(12) 1 calc R . P B 1
 H74B H 0.4867 0.4332 0.3547 0.077 Uiso 0.697(12) 1 calc R . P B 1
 C75 C 0.5009(3) 0.2048(5) 0.3374(2) 0.078(2) Uani 1 1 d . . . . .
 H75A H 0.5221 0.2232 0.3104 0.094 Uiso 1 1 calc R . . . .
 H75B H 0.4647 0.2387 0.3380 0.094 Uiso 1 1 calc R . . . .
 C76 C 0.4851(3) 0.1128(5) 0.3325(2) 0.072(2) Uani 1 1 d . . . . .
 H76A H 0.5134 0.0828 0.3142 0.087 Uiso 1 1 calc R . . . .
 H76B H 0.4448 0.1052 0.3169 0.087 Uiso 1 1 calc R . . . .
 C77 C 0.4893(2) 0.0827(4) 0.3835(2) 0.0611(18) Uani 1 1 d . . . . .
 H77A H 0.4519 0.0922 0.3976 0.073 Uiso 1 1 calc R . . . .
 H77B H 0.4993 0.0228 0.3857 0.073 Uiso 1 1 calc R . . . .
 C78 C 0.5389(2) 0.1359(4) 0.40755(19) 0.0512(15) Uani 1 1 d . . . . .
 H78A H 0.5321 0.1465 0.4408 0.061 Uiso 1 1 calc R . . . .
 H78B H 0.5774 0.1075 0.4067 0.061 Uiso 1 1 calc R . . . .
 Li2 Li 0.5871(4) 0.3122(6) 0.3995(3) 0.053(3) Uani 1 1 d . . . . .
 O9 O 0.6590(5) 0.2217(6) 0.2447(3) 0.132(4) Uani 0.824(11) 1 d . U P C 1
 O9A O 0.6325(17) 0.215(3) 0.2449(14) 0.109(11) Uani 0.176(11) 1 d D U P C 2
 C95 C 0.6153(6) 0.1550(7) 0.2355(4) 0.091(3) Uani 0.824(11) 1 d . U P C 1
 H95A H 0.5747 0.1774 0.2340 0.109 Uiso 0.824(11) 1 calc R . P C 1
 H95B H 0.6200 0.1118 0.2603 0.109 Uiso 0.824(11) 1 calc R . P C 1
 C95A C 0.6630(19) 0.263(2) 0.2111(16) 0.109(11) Uani 0.176(11) 1 d D U P C 2
 H95C H 0.7035 0.2774 0.2241 0.130 Uiso 0.176(11) 1 calc R . P C 2
 H95D H 0.6413 0.3147 0.2019 0.130 Uiso 0.176(11) 1 calc R . P C 2
 C96 C 0.6285(5) 0.1187(6) 0.1869(3) 0.104(3) Uani 0.824(11) 1 d . U P C 1
 H96A H 0.6017 0.1426 0.1611 0.124 Uiso 0.824(11) 1 calc R . P C 1
 H96B H 0.6246 0.0574 0.1864 0.124 Uiso 0.824(11) 1 calc R . P C 1
 C96A C 0.6638(19) 0.202(2) 0.1678(12) 0.109(11) Uani 0.176(11) 1 d D U P C 2
 H96C H 0.6260 0.2034 0.1477 0.130 Uiso 0.176(11) 1 calc R . P C 2
 H96D H 0.6964 0.2154 0.1484 0.130 Uiso 0.176(11) 1 calc R . P C 2
 C97 C 0.6939(7) 0.1457(11) 0.1826(7) 0.213(9) Uani 0.824(11) 1 d . U P C 1
 H97A H 0.7196 0.0966 0.1801 0.256 Uiso 0.824(11) 1 calc R . P C 1
 H97B H 0.6967 0.1818 0.1549 0.256 Uiso 0.824(11) 1 calc R . P C 1
 C97A C 0.673(2) 0.123(2) 0.1895(16) 0.109(11) Uani 0.176(11) 1 d D U P C 2
 H97C H 0.7143 0.1151 0.2023 0.130 Uiso 0.176(11) 1 calc R . P C 2
 H97D H 0.6613 0.0771 0.1671 0.130 Uiso 0.176(11) 1 calc R . P C 2
 C98 C 0.7087(6) 0.1876(9) 0.2228(6) 0.173(7) Uani 0.824(11) 1 d . U P C 1
 H98A H 0.7355 0.2338 0.2161 0.208 Uiso 0.824(11) 1 calc R . P C 1
 H98B H 0.7308 0.1498 0.2455 0.208 Uiso 0.824(11) 1 calc R . P C 1
 C98A C 0.630(3) 0.127(2) 0.2307(19) 0.109(11) Uani 0.176(11) 1 d D U P C 2
 H98C H 0.5889 0.1111 0.2190 0.130 Uiso 0.176(11) 1 calc R . P C 2
 H98D H 0.6436 0.0905 0.2572 0.130 Uiso 0.176(11) 1 calc R . P C 2
 C71A C 0.5634(8) 0.3752(12) 0.2966(6) 0.037(5) Uani 0.303(12) 1 d . U P B 2
 H71C H 0.5318 0.3443 0.2777 0.044 Uiso 0.303(12) 1 calc R . P B 2
 H71D H 0.6014 0.3462 0.2949 0.044 Uiso 0.303(12) 1 calc R . P B 2
 O3A O 0.5498(8) 0.3857(11) 0.3447(6) 0.035(4) Uani 0.303(12) 1 d . U P B 2
 C74A C 0.5366(16) 0.470(3) 0.3591(12) 0.032(5) Uani 0.303(12) 1 d . U P B 2
 H74C H 0.5713 0.4963 0.3766 0.038 Uiso 0.303(12) 1 calc R . P B 2
 H74D H 0.5030 0.4710 0.3787 0.038 Uiso 0.303(12) 1 calc R . P B 2
 C73A C 0.521(2) 0.514(3) 0.3112(12) 0.043(7) Uani 0.303(12) 1 d . U P B 2
 H73C H 0.5266 0.5747 0.3137 0.052 Uiso 0.303(12) 1 calc R . P B 2
 H73D H 0.4796 0.5020 0.2987 0.052 Uiso 0.303(12) 1 calc R . P B 2
 C72A C 0.567(2) 0.472(2) 0.2796(13) 0.052(7) Uani 0.303(12) 1 d . U P B 2
 H72C H 0.6069 0.4953 0.2867 0.063 Uiso 0.303(12) 1 calc R . P B 2
 H72D H 0.5545 0.4782 0.2456 0.063 Uiso 0.303(12) 1 calc R . P B 2


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Y1 P1 2.8068(12) . ?
 Y1 P3 2.7998(13) . ?
 Y1 C1 2.732(5) . ?
 Y1 C2 2.671(5) . ?
 Y1 C3 2.666(4) . ?
 Y1 C4 2.699(4) . ?
 Y1 C5 2.756(5) . ?
 Y1 C7 2.683(4) . ?
 Y1 C8 2.681(5) . ?
 Y1 C9 2.654(4) . ?
 Y1 C10 2.656(4) . ?
 Y1 C11 2.663(4) . ?
 Y2 P1 2.8021(12) . ?
 Y2 P2 2.8268(13) . ?
 Y2 C13 2.713(5) . ?
 Y2 C14 2.671(5) . ?
 Y2 C15 2.670(5) . ?
 Y2 C16 2.723(5) . ?
 Y2 C17 2.760(5) . ?
 Y2 C19 2.670(5) . ?
 Y2 C20 2.650(5) . ?
 Y2 C21 2.633(5) . ?
 Y2 C22 2.645(4) . ?
 Y2 C23 2.677(5) . ?
 Y3 P2 2.8045(13) . ?
 Y3 P3 2.7869(12) . ?
 Y3 C25 2.714(5) . ?
 Y3 C26 2.666(5) . ?
 Y3 C27 2.671(5) . ?
 Y3 C28 2.738(4) . ?
 Y3 C29 2.745(4) . ?
 Y3 C31 2.685(5) . ?
 Y3 C32 2.659(5) . ?
 Y3 C33 2.640(5) . ?
 Y3 C34 2.673(5) . ?
 Y3 C35 2.690(5) . ?
 P1 C37 1.852(4) . ?
 P1 Li1 2.546(8) . ?
 P2 C46 1.841(5) . ?
 P2 Li1 2.504(7) . ?
 P3 C55 1.856(4) . ?
 P3 Li1 2.467(7) . ?
 C0AA H0AA 0.9600 . ?
 C0AA H0AB 0.9600 . ?
 C0AA H0AC 0.9600 . ?
 C0AA C60 1.500(6) . ?
 C1 H1 0.9300 . ?
 C1 C2 1.407(6) . ?
 C1 C5 1.399(6) . ?
 C2 H2 0.9300 . ?
 C2 C3 1.390(5) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.406(6) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.415(6) . ?
 C5 C6 1.502(6) . ?
 C6 H6A 0.9600 . ?
 C6 H6B 0.9600 . ?
 C6 H6C 0.9600 . ?
 C7 H7 0.9300 . ?
 C7 C8 1.393(6) . ?
 C7 C11 1.405(7) . ?
 C8 H8 0.9300 . ?
 C8 C9 1.377(7) . ?
 C9 H9 0.9300 . ?
 C9 C10 1.384(7) . ?
 C10 H10 0.9300 . ?
 C10 C11 1.410(6) . ?
 C11 C12 1.477(6) . ?
 C12 H12A 0.9600 . ?
 C12 H12B 0.9600 . ?
 C12 H12C 0.9600 . ?
 C13 H13 0.9300 . ?
 C13 C14 1.393(6) . ?
 C13 C17 1.402(6) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.400(6) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.400(7) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.395(7) . ?
 C17 C18 1.514(7) . ?
 C18 H18A 0.9600 . ?
 C18 H18B 0.9600 . ?
 C18 H18C 0.9600 . ?
 C19 H19 0.9300 . ?
 C19 C20 1.365(6) . ?
 C19 C23 1.419(7) . ?
 C20 H20 0.9300 . ?
 C20 C21 1.368(7) . ?
 C21 H21 0.9300 . ?
 C21 C22 1.386(6) . ?
 C22 H22 0.9300 . ?
 C22 C23 1.396(7) . ?
 C23 C24 1.508(6) . ?
 C24 H24A 0.9600 . ?
 C24 H24B 0.9600 . ?
 C24 H24C 0.9600 . ?
 C25 H25 0.9300 . ?
 C25 C26 1.406(6) . ?
 C25 C29 1.404(6) . ?
 C26 H26 0.9300 . ?
 C26 C27 1.401(6) . ?
 C27 H27 0.9300 . ?
 C27 C28 1.402(6) . ?
 C28 H28 0.9300 . ?
 C28 C29 1.402(6) . ?
 C29 C30 1.514(6) . ?
 C30 H30A 0.9600 . ?
 C30 H30B 0.9600 . ?
 C30 H30C 0.9600 . ?
 C31 H31 0.9300 . ?
 C31 C32 1.396(6) . ?
 C31 C35 1.397(6) . ?
 C32 H32 0.9300 . ?
 C32 C33 1.373(6) . ?
 C33 H33 0.9300 . ?
 C33 C34 1.384(7) . ?
 C34 H34 0.9300 . ?
 C34 C35 1.397(6) . ?
 C35 C36 1.512(6) . ?
 C36 H36A 0.9600 . ?
 C36 H36B 0.9600 . ?
 C36 H36C 0.9600 . ?
 C37 C38 1.421(6) . ?
 C37 C42 1.412(6) . ?
 C38 C39 1.381(6) . ?
 C38 C43 1.499(6) . ?
 C39 H39 0.9300 . ?
 C39 C40 1.386(7) . ?
 C40 C41 1.383(7) . ?
 C40 C44 1.509(6) . ?
 C41 H41 0.9300 . ?
 C41 C42 1.398(6) . ?
 C42 C45 1.493(6) . ?
 C43 H43A 0.9600 . ?
 C43 H43B 0.9600 . ?
 C43 H43C 0.9600 . ?
 C44 H44A 0.9600 . ?
 C44 H44B 0.9600 . ?
 C44 H44C 0.9600 . ?
 C45 H45A 0.9600 . ?
 C45 H45B 0.9600 . ?
 C45 H45C 0.9600 . ?
 C46 C47 1.431(5) . ?
 C46 C51 1.416(6) . ?
 C47 C48 1.393(6) . ?
 C47 C52 1.497(6) . ?
 C48 H48 0.9300 . ?
 C48 C49 1.374(6) . ?
 C49 C50 1.386(6) . ?
 C49 C53 1.516(6) . ?
 C50 H50 0.9300 . ?
 C50 C51 1.398(6) . ?
 C51 C54 1.504(5) . ?
 C52 H52A 0.9600 . ?
 C52 H52B 0.9600 . ?
 C52 H52C 0.9600 . ?
 C53 H53A 0.9600 . ?
 C53 H53B 0.9600 . ?
 C53 H53C 0.9600 . ?
 C54 H54A 0.9600 . ?
 C54 H54B 0.9600 . ?
 C54 H54C 0.9600 . ?
 C55 C56 1.416(6) . ?
 C55 C60 1.397(6) . ?
 C56 C57 1.384(6) . ?
 C56 C61 1.504(6) . ?
 C57 H57 0.9300 . ?
 C57 C58 1.384(7) . ?
 C58 C59 1.370(6) . ?
 C58 C62 1.528(6) . ?
 C59 H59 0.9300 . ?
 C59 C60 1.394(6) . ?
 C61 H61A 0.9600 . ?
 C61 H61B 0.9600 . ?
 C61 H61C 0.9600 . ?
 C62 H62A 0.9600 . ?
 C62 H62B 0.9600 . ?
 C62 H62C 0.9600 . ?
 O0AA C79 1.395(7) . ?
 O0AA C82 1.430(6) . ?
 O0AA Li3 1.909(10) . ?
 O5 C91 1.380(12) . ?
 O5 C94 1.38(2) . ?
 O5 Li3 1.929(13) . ?
 O5A C91A 1.398(17) . ?
 O5A C94A 1.482(19) . ?
 O5A Li3 1.860(16) . ?
 O6 C83 1.462(12) . ?
 O6 C86 1.477(14) . ?
 O6 Li3 1.928(14) . ?
 O6A C83A 1.38(2) . ?
 O6A C86A 1.36(3) . ?
 O6A Li3 1.84(2) . ?
 O7 C87 1.39(4) . ?
 O7 C90 1.44(3) . ?
 O7 Li3 1.98(2) . ?
 O7A C87A 1.48(4) . ?
 O7A C90A 1.42(2) . ?
 O7A Li3 1.85(2) . ?
 C79 H79A 0.9700 . ?
 C79 H79B 0.9700 . ?
 C79 C80 1.508(8) . ?
 C80 H80A 0.9700 . ?
 C80 H80B 0.9700 . ?
 C80 C81 1.450(8) . ?
 C81 H81A 0.9700 . ?
 C81 H81B 0.9700 . ?
 C81 C82 1.490(8) . ?
 C82 H82A 0.9700 . ?
 C82 H82B 0.9700 . ?
 C83 H83A 0.9700 . ?
 C83 H83B 0.9700 . ?
 C83 C84 1.282(14) . ?
 C83A H83C 0.9700 . ?
 C83A H83D 0.9700 . ?
 C83A C84A 1.54(3) . ?
 C84 H84A 0.9700 . ?
 C84 H84B 0.9700 . ?
 C84 C85 1.323(15) . ?
 C84A H84C 0.9700 . ?
 C84A H84D 0.9700 . ?
 C84A C85A 1.35(3) . ?
 C85 H85A 0.9700 . ?
 C85 H85B 0.9700 . ?
 C85 C86 1.631(18) . ?
 C85A H85C 0.9700 . ?
 C85A H85D 0.9700 . ?
 C85A C86A 1.65(4) . ?
 C86 H86A 0.9700 . ?
 C86 H86B 0.9700 . ?
 C86A H86C 0.9700 . ?
 C86A H86D 0.9700 . ?
 C87 H87A 0.9700 . ?
 C87 H87B 0.9700 . ?
 C87 C88 1.46(3) . ?
 C87A H87C 0.9700 . ?
 C87A H87D 0.9700 . ?
 C87A C88A 1.55(3) . ?
 C88 H88A 0.9700 . ?
 C88 H88B 0.9700 . ?
 C88 C89 1.44(3) . ?
 C88A H88C 0.9700 . ?
 C88A H88D 0.9700 . ?
 C88A C89A 1.52(2) . ?
 C89 H89A 0.9700 . ?
 C89 H89B 0.9700 . ?
 C89 C90 1.21(5) . ?
 C89A H89C 0.9700 . ?
 C89A H89D 0.9700 . ?
 C89A C90A 1.81(5) . ?
 C90 H90A 0.9700 . ?
 C90 H90B 0.9700 . ?
 C90A H90C 0.9700 . ?
 C90A H90D 0.9700 . ?
 C91 H91A 0.9700 . ?
 C91 H91B 0.9700 . ?
 C91 C92 1.452(12) . ?
 C91A H91C 0.9700 . ?
 C91A H91D 0.9700 . ?
 C91A C92A 1.33(2) . ?
 C92 H92A 0.9700 . ?
 C92 H92B 0.9700 . ?
 C92 C93 1.376(19) . ?
 C92A H92C 0.9700 . ?
 C92A H92D 0.9700 . ?
 C92A C93A 1.57(3) . ?
 C93 H93A 0.9700 . ?
 C93 H93B 0.9700 . ?
 C93 C94 1.45(2) . ?
 C93A H93C 0.9700 . ?
 C93A H93D 0.9700 . ?
 C93A C94A 1.40(2) . ?
 C94 H94A 0.9700 . ?
 C94 H94B 0.9700 . ?
 C94A H94C 0.9700 . ?
 C94A H94D 0.9700 . ?
 O1 C63 1.418(5) . ?
 O1 C66 1.430(6) . ?
 O1 Li2 1.913(9) . ?
 O2 C67 1.439(6) . ?
 O2 C70 1.431(6) . ?
 O2 Li2 1.921(9) . ?
 O3 C71 1.440(10) . ?
 O3 C74 1.50(2) . ?
 O3 Li2 1.877(12) . ?
 O4 C75 1.421(6) . ?
 O4 C78 1.441(6) . ?
 O4 Li2 1.931(10) . ?
 C63 H63A 0.9700 . ?
 C63 H63B 0.9700 . ?
 C63 C64 1.475(7) . ?
 C64 H64A 0.9700 . ?
 C64 H64B 0.9700 . ?
 C64 C65 1.448(7) . ?
 C65 H65A 0.9700 . ?
 C65 H65B 0.9700 . ?
 C65 C66 1.473(7) . ?
 C66 H66A 0.9700 . ?
 C66 H66B 0.9700 . ?
 C67 H67A 0.9700 . ?
 C67 H67B 0.9700 . ?
 C67 C68 1.497(7) . ?
 C68 H68A 0.9700 . ?
 C68 H68B 0.9700 . ?
 C68 C69 1.439(8) . ?
 C69 H69A 0.9700 . ?
 C69 H69B 0.9700 . ?
 C69 C70 1.493(6) . ?
 C70 H70A 0.9700 . ?
 C70 H70B 0.9700 . ?
 C71 H71A 0.9700 . ?
 C71 H71B 0.9700 . ?
 C71 C72 1.450(18) . ?
 C72 H72A 0.9700 . ?
 C72 H72B 0.9700 . ?
 C72 C73 1.480(18) . ?
 C73 H73A 0.9700 . ?
 C73 H73B 0.9700 . ?
 C73 C74 1.51(2) . ?
 C74 H74A 0.9700 . ?
 C74 H74B 0.9700 . ?
 C75 H75A 0.9700 . ?
 C75 H75B 0.9700 . ?
 C75 C76 1.494(8) . ?
 C76 H76A 0.9700 . ?
 C76 H76B 0.9700 . ?
 C76 C77 1.498(7) . ?
 C77 H77A 0.9700 . ?
 C77 H77B 0.9700 . ?
 C77 C78 1.496(6) . ?
 C78 H78A 0.9700 . ?
 C78 H78B 0.9700 . ?
 Li2 O3A 2.037(19) . ?
 O9 C95 1.441(12) . ?
 O9 C98 1.421(13) . ?
 O9A C95A 1.429(19) . ?
 O9A C98A 1.44(2) . ?
 C95 H95A 0.9700 . ?
 C95 H95B 0.9700 . ?
 C95 C96 1.527(11) . ?
 C95A H95C 0.9700 . ?
 C95A H95D 0.9700 . ?
 C95A C96A 1.551(18) . ?
 C96 H96A 0.9700 . ?
 C96 H96B 0.9700 . ?
 C96 C97 1.535(16) . ?
 C96A H96C 0.9700 . ?
 C96A H96D 0.9700 . ?
 C96A C97A 1.39(2) . ?
 C97 H97A 0.9700 . ?
 C97 H97B 0.9700 . ?
 C97 C98 1.319(17) . ?
 C97A H97C 0.9700 . ?
 C97A H97D 0.9700 . ?
 C97A C98A 1.570(19) . ?
 C98 H98A 0.9700 . ?
 C98 H98B 0.9700 . ?
 C98A H98C 0.9700 . ?
 C98A H98D 0.9700 . ?
 C71A H71C 0.9700 . ?
 C71A H71D 0.9700 . ?
 C71A O3A 1.42(2) . ?
 C71A C72A 1.60(4) . ?
 O3A C74A 1.43(5) . ?
 C74A H74C 0.9700 . ?
 C74A H74D 0.9700 . ?
 C74A C73A 1.52(5) . ?
 C73A H73C 0.9700 . ?
 C73A H73D 0.9700 . ?
 C73A C72A 1.56(4) . ?
 C72A H72C 0.9700 . ?
 C72A H72D 0.9700 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 P3 Y1 P1 92.50(4) . . ?
 C1 Y1 P1 114.59(11) . . ?
 C1 Y1 P3 132.18(11) . . ?
 C1 Y1 C5 29.53(12) . . ?
 C2 Y1 P1 135.00(11) . . ?
 C2 Y1 P3 103.45(11) . . ?
 C2 Y1 C1 30.16(13) . . ?
 C2 Y1 C4 49.72(14) . . ?
 C2 Y1 C5 49.84(14) . . ?
 C2 Y1 C7 127.68(15) . . ?
 C2 Y1 C8 118.97(16) . . ?
 C3 Y1 P1 114.40(10) . . ?
 C3 Y1 P3 84.05(11) . . ?
 C3 Y1 C1 49.51(14) . . ?
 C3 Y1 C2 30.19(12) . . ?
 C3 Y1 C4 30.37(12) . . ?
 C3 Y1 C5 50.06(14) . . ?
 C3 Y1 C7 157.59(14) . . ?
 C3 Y1 C8 138.99(16) . . ?
 C4 Y1 P1 86.89(10) . . ?
 C4 Y1 P3 97.95(10) . . ?
 C4 Y1 C1 48.94(13) . . ?
 C4 Y1 C5 30.04(12) . . ?
 C5 Y1 P1 87.24(10) . . ?
 C5 Y1 P3 127.97(10) . . ?
 C7 Y1 P1 85.56(11) . . ?
 C7 Y1 P3 106.12(12) . . ?
 C7 Y1 C1 114.20(15) . . ?
 C7 Y1 C4 155.03(15) . . ?
 C7 Y1 C5 125.67(15) . . ?
 C8 Y1 P1 104.62(13) . . ?
 C8 Y1 P3 82.10(12) . . ?
 C8 Y1 C1 123.38(15) . . ?
 C8 Y1 C4 168.49(16) . . ?
 C8 Y1 C5 147.76(15) . . ?
 C8 Y1 C7 30.10(13) . . ?
 C9 Y1 P1 133.53(14) . . ?
 C9 Y1 P3 89.34(13) . . ?
 C9 Y1 C1 97.45(17) . . ?
 C9 Y1 C2 89.07(17) . . ?
 C9 Y1 C3 111.98(17) . . ?
 C9 Y1 C4 138.75(17) . . ?
 C9 Y1 C5 126.37(17) . . ?
 C9 Y1 C7 49.73(16) . . ?
 C9 Y1 C8 29.91(14) . . ?
 C9 Y1 C10 30.23(15) . . ?
 C9 Y1 C11 50.37(16) . . ?
 C10 Y1 P1 129.53(12) . . ?
 C10 Y1 P3 119.13(13) . . ?
 C10 Y1 C1 73.70(16) . . ?
 C10 Y1 C2 77.92(15) . . ?
 C10 Y1 C3 107.56(15) . . ?
 C10 Y1 C4 122.16(16) . . ?
 C10 Y1 C5 99.61(16) . . ?
 C10 Y1 C7 50.03(15) . . ?
 C10 Y1 C8 49.75(17) . . ?
 C10 Y1 C11 30.74(14) . . ?
 C11 Y1 P1 98.83(12) . . ?
 C11 Y1 P3 132.29(12) . . ?
 C11 Y1 C1 83.73(16) . . ?
 C11 Y1 C2 100.51(17) . . ?
 C11 Y1 C3 130.15(17) . . ?
 C11 Y1 C4 128.67(16) . . ?
 C11 Y1 C5 98.91(16) . . ?
 C11 Y1 C7 30.47(14) . . ?
 C11 Y1 C8 50.19(16) . . ?
 P1 Y2 P2 94.06(4) . . ?
 C13 Y2 P1 84.57(10) . . ?
 C13 Y2 P2 117.08(11) . . ?
 C13 Y2 C16 48.65(15) . . ?
 C13 Y2 C17 29.67(13) . . ?
 C14 Y2 P1 96.64(10) . . ?
 C14 Y2 P2 88.90(12) . . ?
 C14 Y2 C13 29.97(13) . . ?
 C14 Y2 C16 49.50(16) . . ?
 C14 Y2 C17 49.65(16) . . ?
 C14 Y2 C23 127.63(17) . . ?
 C15 Y2 P1 127.03(12) . . ?
 C15 Y2 P2 87.33(13) . . ?
 C15 Y2 C13 49.44(15) . . ?
 C15 Y2 C14 30.39(13) . . ?
 C15 Y2 C16 30.08(15) . . ?
 C15 Y2 C17 49.60(17) . . ?
 C15 Y2 C23 98.16(17) . . ?
 C16 Y2 P1 132.05(13) . . ?
 C16 Y2 P2 114.45(15) . . ?
 C16 Y2 C17 29.47(14) . . ?
 C17 Y2 P1 104.11(12) . . ?
 C17 Y2 P2 135.79(12) . . ?
 C19 Y2 P1 110.90(15) . . ?
 C19 Y2 P2 82.29(12) . . ?
 C19 Y2 C13 155.08(17) . . ?
 C19 Y2 C14 151.52(17) . . ?
 C19 Y2 C15 121.69(18) . . ?
 C19 Y2 C16 110.52(19) . . ?
 C19 Y2 C17 125.41(17) . . ?
 C19 Y2 C23 30.77(16) . . ?
 C20 Y2 P1 84.06(12) . . ?
 C20 Y2 P2 96.70(14) . . ?
 C20 Y2 C13 144.98(17) . . ?
 C20 Y2 C14 174.30(17) . . ?
 C20 Y2 C15 148.42(17) . . ?
 C20 Y2 C16 126.37(18) . . ?
 C20 Y2 C17 124.68(17) . . ?
 C20 Y2 C19 29.74(14) . . ?
 C20 Y2 C23 50.28(16) . . ?
 C21 Y2 P1 85.26(10) . . ?
 C21 Y2 P2 126.60(13) . . ?
 C21 Y2 C13 115.99(17) . . ?
 C21 Y2 C14 144.33(17) . . ?
 C21 Y2 C15 133.79(17) . . ?
 C21 Y2 C16 104.32(18) . . ?
 C21 Y2 C17 95.22(17) . . ?
 C21 Y2 C19 49.48(16) . . ?
 C21 Y2 C20 30.00(15) . . ?
 C21 Y2 C22 30.45(12) . . ?
 C21 Y2 C23 50.33(15) . . ?
 C22 Y2 P1 113.75(10) . . ?
 C22 Y2 P2 130.12(12) . . ?
 C22 Y2 C13 106.51(16) . . ?
 C22 Y2 C14 125.12(16) . . ?
 C22 Y2 C15 104.71(17) . . ?
 C22 Y2 C16 77.16(18) . . ?
 C22 Y2 C17 78.23(17) . . ?
 C22 Y2 C19 49.91(17) . . ?
 C22 Y2 C20 49.92(16) . . ?
 C22 Y2 C23 30.41(14) . . ?
 C23 Y2 P1 133.03(12) . . ?
 C23 Y2 P2 100.83(14) . . ?
 C23 Y2 C13 124.90(18) . . ?
 C23 Y2 C16 80.52(19) . . ?
 C23 Y2 C17 95.52(19) . . ?
 P3 Y3 P2 91.04(4) . . ?
 C25 Y3 P2 83.42(11) . . ?
 C25 Y3 P3 115.70(11) . . ?
 C25 Y3 C28 48.99(15) . . ?
 C25 Y3 C29 29.80(14) . . ?
 C26 Y3 P2 97.22(11) . . ?
 C26 Y3 P3 88.61(11) . . ?
 C26 Y3 C25 30.29(13) . . ?
 C26 Y3 C27 30.43(13) . . ?
 C26 Y3 C28 49.59(16) . . ?
 C26 Y3 C29 49.82(15) . . ?
 C26 Y3 C31 149.45(17) . . ?
 C26 Y3 C34 121.86(16) . . ?
 C26 Y3 C35 125.00(16) . . ?
 C27 Y3 P2 127.57(12) . . ?
 C27 Y3 P3 90.29(11) . . ?
 C27 Y3 C25 49.76(15) . . ?
 C27 Y3 C28 30.00(14) . . ?
 C27 Y3 C29 49.66(15) . . ?
 C27 Y3 C31 119.91(17) . . ?
 C27 Y3 C34 98.53(18) . . ?
 C27 Y3 C35 94.82(17) . . ?
 C28 Y3 P2 130.64(11) . . ?
 C28 Y3 P3 118.38(12) . . ?
 C28 Y3 C29 29.63(13) . . ?
 C29 Y3 P2 102.12(11) . . ?
 C29 Y3 P3 137.30(12) . . ?
 C31 Y3 P2 112.28(13) . . ?
 C31 Y3 P3 83.31(11) . . ?
 C31 Y3 C25 155.91(15) . . ?
 C31 Y3 C28 109.95(16) . . ?
 C31 Y3 C29 126.14(16) . . ?
 C31 Y3 C35 30.11(14) . . ?
 C32 Y3 P2 86.50(12) . . ?
 C32 Y3 P3 99.49(13) . . ?
 C32 Y3 C25 143.45(17) . . ?
 C32 Y3 C26 171.06(16) . . ?
 C32 Y3 C27 144.57(17) . . ?
 C32 Y3 C28 122.20(17) . . ?
 C32 Y3 C29 121.49(18) . . ?
 C32 Y3 C31 30.28(14) . . ?
 C32 Y3 C34 49.66(16) . . ?
 C32 Y3 C35 50.06(16) . . ?
 C33 Y3 P2 90.63(14) . . ?
 C33 Y3 P3 129.18(14) . . ?
 C33 Y3 C25 114.94(17) . . ?
 C33 Y3 C26 141.36(18) . . ?
 C33 Y3 C27 126.67(19) . . ?
 C33 Y3 C28 97.80(19) . . ?
 C33 Y3 C29 91.54(19) . . ?
 C33 Y3 C31 49.71(16) . . ?
 C33 Y3 C32 30.03(14) . . ?
 C33 Y3 C34 30.19(15) . . ?
 C33 Y3 C35 50.06(16) . . ?
 C34 Y3 P2 119.60(13) . . ?
 C34 Y3 P3 129.67(12) . . ?
 C34 Y3 C25 107.25(15) . . ?
 C34 Y3 C28 72.58(17) . . ?
 C34 Y3 C29 77.86(17) . . ?
 C34 Y3 C31 49.49(15) . . ?
 C34 Y3 C35 30.20(13) . . ?
 C35 Y3 P2 136.25(12) . . ?
 C35 Y3 P3 100.02(11) . . ?
 C35 Y3 C25 126.71(16) . . ?
 C35 Y3 C28 79.97(17) . . ?
 C35 Y3 C29 97.84(16) . . ?
 Y2 P1 Y1 132.81(4) . . ?
 C37 P1 Y1 112.41(13) . . ?
 C37 P1 Y2 113.18(13) . . ?
 C37 P1 Li1 107.7(2) . . ?
 Li1 P1 Y1 77.93(16) . . ?
 Li1 P1 Y2 77.37(15) . . ?
 Y3 P2 Y2 131.29(5) . . ?
 C46 P2 Y2 112.65(14) . . ?
 C46 P2 Y3 116.00(14) . . ?
 C46 P2 Li1 121.0(2) . . ?
 Li1 P2 Y2 77.57(18) . . ?
 Li1 P2 Y3 79.97(17) . . ?
 Y3 P3 Y1 135.26(5) . . ?
 C55 P3 Y1 109.78(14) . . ?
 C55 P3 Y3 114.71(14) . . ?
 C55 P3 Li1 122.5(2) . . ?
 Li1 P3 Y1 79.35(18) . . ?
 Li1 P3 Y3 80.95(16) . . ?
 H0AA C0AA H0AB 109.5 . . ?
 H0AA C0AA H0AC 109.5 . . ?
 H0AB C0AA H0AC 109.5 . . ?
 C60 C0AA H0AA 109.5 . . ?
 C60 C0AA H0AB 109.5 . . ?
 C60 C0AA H0AC 109.5 . . ?
 Y1 C1 H1 117.8 . . ?
 C2 C1 Y1 72.5(3) . . ?
 C2 C1 H1 125.4 . . ?
 C5 C1 Y1 76.2(3) . . ?
 C5 C1 H1 125.4 . . ?
 C5 C1 C2 109.3(4) . . ?
 Y1 C2 H2 114.2 . . ?
 C1 C2 Y1 77.3(3) . . ?
 C1 C2 H2 126.1 . . ?
 C3 C2 Y1 74.7(3) . . ?
 C3 C2 C1 107.9(4) . . ?
 C3 C2 H2 126.1 . . ?
 Y1 C3 H3 114.9 . . ?
 C2 C3 Y1 75.1(3) . . ?
 C2 C3 H3 126.1 . . ?
 C2 C3 C4 107.7(4) . . ?
 C4 C3 Y1 76.1(3) . . ?
 C4 C3 H3 126.1 . . ?
 Y1 C4 H4 115.8 . . ?
 C3 C4 Y1 73.5(2) . . ?
 C3 C4 H4 125.5 . . ?
 C3 C4 C5 108.9(4) . . ?
 C5 C4 Y1 77.2(3) . . ?
 C5 C4 H4 125.5 . . ?
 C1 C5 Y1 74.3(3) . . ?
 C1 C5 C4 106.2(4) . . ?
 C1 C5 C6 125.7(4) . . ?
 C4 C5 Y1 72.8(3) . . ?
 C4 C5 C6 127.9(4) . . ?
 C6 C5 Y1 122.2(3) . . ?
 C5 C6 H6A 109.5 . . ?
 C5 C6 H6B 109.5 . . ?
 C5 C6 H6C 109.5 . . ?
 H6A C6 H6B 109.5 . . ?
 H6A C6 H6C 109.5 . . ?
 H6B C6 H6C 109.5 . . ?
 Y1 C7 H7 117.2 . . ?
 C8 C7 Y1 74.9(3) . . ?
 C8 C7 H7 125.9 . . ?
 C8 C7 C11 108.2(5) . . ?
 C11 C7 Y1 74.0(3) . . ?
 C11 C7 H7 125.9 . . ?
 Y1 C8 H8 117.2 . . ?
 C7 C8 Y1 75.0(3) . . ?
 C7 C8 H8 125.9 . . ?
 C9 C8 Y1 73.9(3) . . ?
 C9 C8 C7 108.2(5) . . ?
 C9 C8 H8 125.9 . . ?
 Y1 C9 H9 115.4 . . ?
 C8 C9 Y1 76.1(3) . . ?
 C8 C9 H9 125.6 . . ?
 C8 C9 C10 108.8(5) . . ?
 C10 C9 Y1 75.0(3) . . ?
 C10 C9 H9 125.6 . . ?
 Y1 C10 H10 116.4 . . ?
 C9 C10 Y1 74.8(3) . . ?
 C9 C10 H10 125.9 . . ?
 C9 C10 C11 108.1(5) . . ?
 C11 C10 Y1 74.9(2) . . ?
 C11 C10 H10 125.9 . . ?
 C7 C11 Y1 75.5(2) . . ?
 C7 C11 C10 106.6(5) . . ?
 C7 C11 C12 124.4(5) . . ?
 C10 C11 Y1 74.3(3) . . ?
 C10 C11 C12 129.0(6) . . ?
 C12 C11 Y1 116.3(3) . . ?
 C11 C12 H12A 109.5 . . ?
 C11 C12 H12B 109.5 . . ?
 C11 C12 H12C 109.5 . . ?
 H12A C12 H12B 109.5 . . ?
 H12A C12 H12C 109.5 . . ?
 H12B C12 H12C 109.5 . . ?
 Y2 C13 H13 116.3 . . ?
 C14 C13 Y2 73.3(3) . . ?
 C14 C13 H13 125.3 . . ?
 C14 C13 C17 109.5(4) . . ?
 C17 C13 Y2 77.0(3) . . ?
 C17 C13 H13 125.3 . . ?
 Y2 C14 H14 114.6 . . ?
 C13 C14 Y2 76.7(3) . . ?
 C13 C14 H14 126.3 . . ?
 C13 C14 C15 107.4(5) . . ?
 C15 C14 Y2 74.8(3) . . ?
 C15 C14 H14 126.3 . . ?
 Y2 C15 H15 114.3 . . ?
 C14 C15 Y2 74.8(3) . . ?
 C14 C15 H15 126.2 . . ?
 C14 C15 C16 107.5(5) . . ?
 C16 C15 Y2 77.0(3) . . ?
 C16 C15 H15 126.2 . . ?
 Y2 C16 H16 116.9 . . ?
 C15 C16 Y2 72.9(3) . . ?
 C15 C16 H16 125.4 . . ?
 C17 C16 Y2 76.8(3) . . ?
 C17 C16 C15 109.2(5) . . ?
 C17 C16 H16 125.4 . . ?
 C13 C17 Y2 73.3(3) . . ?
 C13 C17 C18 125.0(5) . . ?
 C16 C17 Y2 73.8(3) . . ?
 C16 C17 C13 106.3(5) . . ?
 C16 C17 C18 128.4(5) . . ?
 C18 C17 Y2 122.8(4) . . ?
 C17 C18 H18A 109.5 . . ?
 C17 C18 H18B 109.5 . . ?
 C17 C18 H18C 109.5 . . ?
 H18A C18 H18B 109.5 . . ?
 H18A C18 H18C 109.5 . . ?
 H18B C18 H18C 109.5 . . ?
 Y2 C19 H19 117.1 . . ?
 C20 C19 Y2 74.4(3) . . ?
 C20 C19 H19 125.6 . . ?
 C20 C19 C23 108.8(5) . . ?
 C23 C19 Y2 74.9(3) . . ?
 C23 C19 H19 125.6 . . ?
 Y2 C20 H20 116.1 . . ?
 C19 C20 Y2 75.9(3) . . ?
 C19 C20 H20 125.7 . . ?
 C19 C20 C21 108.6(5) . . ?
 C21 C20 Y2 74.3(3) . . ?
 C21 C20 H20 125.7 . . ?
 Y2 C21 H21 115.4 . . ?
 C20 C21 Y2 75.7(3) . . ?
 C20 C21 H21 125.8 . . ?
 C20 C21 C22 108.5(5) . . ?
 C22 C21 Y2 75.2(3) . . ?
 C22 C21 H21 125.8 . . ?
 Y2 C22 H22 116.0 . . ?
 C21 C22 Y2 74.3(3) . . ?
 C21 C22 H22 125.7 . . ?
 C21 C22 C23 108.5(5) . . ?
 C23 C22 Y2 76.1(3) . . ?
 C23 C22 H22 125.7 . . ?
 C19 C23 Y2 74.3(3) . . ?
 C19 C23 C24 127.8(6) . . ?
 C22 C23 Y2 73.5(3) . . ?
 C22 C23 C19 105.6(4) . . ?
 C22 C23 C24 126.5(6) . . ?
 C24 C23 Y2 120.5(4) . . ?
 C23 C24 H24A 109.5 . . ?
 C23 C24 H24B 109.5 . . ?
 C23 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 Y3 C25 H25 116.9 . . ?
 C26 C25 Y3 72.9(3) . . ?
 C26 C25 H25 125.8 . . ?
 C29 C25 Y3 76.3(3) . . ?
 C29 C25 H25 125.8 . . ?
 C29 C25 C26 108.4(4) . . ?
 Y3 C26 H26 114.4 . . ?
 C25 C26 Y3 76.8(3) . . ?
 C25 C26 H26 126.2 . . ?
 C27 C26 Y3 75.0(3) . . ?
 C27 C26 C25 107.7(5) . . ?
 C27 C26 H26 126.2 . . ?
 Y3 C27 H27 114.1 . . ?
 C26 C27 Y3 74.6(3) . . ?
 C26 C27 H27 126.0 . . ?
 C26 C27 C28 108.0(4) . . ?
 C28 C27 Y3 77.6(3) . . ?
 C28 C27 H27 126.0 . . ?
 Y3 C28 H28 118.3 . . ?
 C27 C28 Y3 72.4(3) . . ?
 C27 C28 H28 125.7 . . ?
 C27 C28 C29 108.5(5) . . ?
 C29 C28 Y3 75.5(3) . . ?
 C29 C28 H28 125.7 . . ?
 C25 C29 Y3 73.9(3) . . ?
 C25 C29 C30 126.1(5) . . ?
 C28 C29 Y3 74.9(3) . . ?
 C28 C29 C25 107.3(4) . . ?
 C28 C29 C30 126.5(5) . . ?
 C30 C29 Y3 120.0(4) . . ?
 C29 C30 H30A 109.5 . . ?
 C29 C30 H30B 109.5 . . ?
 C29 C30 H30C 109.5 . . ?
 H30A C30 H30B 109.5 . . ?
 H30A C30 H30C 109.5 . . ?
 H30B C30 H30C 109.5 . . ?
 Y3 C31 H31 117.2 . . ?
 C32 C31 Y3 73.8(3) . . ?
 C32 C31 H31 125.9 . . ?
 C32 C31 C35 108.3(5) . . ?
 C35 C31 Y3 75.1(3) . . ?
 C35 C31 H31 125.9 . . ?
 Y3 C32 H32 115.9 . . ?
 C31 C32 Y3 75.9(3) . . ?
 C31 C32 H32 126.1 . . ?
 C33 C32 Y3 74.2(3) . . ?
 C33 C32 C31 107.9(5) . . ?
 C33 C32 H32 126.1 . . ?
 Y3 C33 H33 114.5 . . ?
 C32 C33 Y3 75.7(3) . . ?
 C32 C33 H33 125.7 . . ?
 C32 C33 C34 108.6(5) . . ?
 C34 C33 Y3 76.2(3) . . ?
 C34 C33 H33 125.7 . . ?
 Y3 C34 H34 117.0 . . ?
 C33 C34 Y3 73.6(3) . . ?
 C33 C34 H34 125.8 . . ?
 C33 C34 C35 108.4(5) . . ?
 C35 C34 Y3 75.6(3) . . ?
 C35 C34 H34 125.8 . . ?
 C31 C35 Y3 74.7(3) . . ?
 C31 C35 C34 106.8(5) . . ?
 C31 C35 C36 125.5(5) . . ?
 C34 C35 Y3 74.2(3) . . ?
 C34 C35 C36 127.7(5) . . ?
 C36 C35 Y3 117.7(4) . . ?
 C35 C36 H36A 109.5 . . ?
 C35 C36 H36B 109.5 . . ?
 C35 C36 H36C 109.5 . . ?
 H36A C36 H36B 109.5 . . ?
 H36A C36 H36C 109.5 . . ?
 H36B C36 H36C 109.5 . . ?
 C38 C37 P1 123.7(3) . . ?
 C42 C37 P1 120.0(4) . . ?
 C42 C37 C38 116.3(4) . . ?
 C37 C38 C43 120.8(4) . . ?
 C39 C38 C37 120.8(5) . . ?
 C39 C38 C43 118.3(5) . . ?
 C38 C39 H39 118.5 . . ?
 C38 C39 C40 123.0(5) . . ?
 C40 C39 H39 118.5 . . ?
 C39 C40 C44 122.5(5) . . ?
 C41 C40 C39 116.5(4) . . ?
 C41 C40 C44 121.0(5) . . ?
 C40 C41 H41 118.7 . . ?
 C40 C41 C42 122.6(5) . . ?
 C42 C41 H41 118.7 . . ?
 C37 C42 C45 121.2(4) . . ?
 C41 C42 C37 120.7(5) . . ?
 C41 C42 C45 118.0(5) . . ?
 C38 C43 H43A 109.5 . . ?
 C38 C43 H43B 109.5 . . ?
 C38 C43 H43C 109.5 . . ?
 H43A C43 H43B 109.5 . . ?
 H43A C43 H43C 109.5 . . ?
 H43B C43 H43C 109.5 . . ?
 C40 C44 H44A 109.5 . . ?
 C40 C44 H44B 109.5 . . ?
 C40 C44 H44C 109.5 . . ?
 H44A C44 H44B 109.5 . . ?
 H44A C44 H44C 109.5 . . ?
 H44B C44 H44C 109.5 . . ?
 C42 C45 H45A 109.5 . . ?
 C42 C45 H45B 109.5 . . ?
 C42 C45 H45C 109.5 . . ?
 H45A C45 H45B 109.5 . . ?
 H45A C45 H45C 109.5 . . ?
 H45B C45 H45C 109.5 . . ?
 C47 C46 P2 119.2(4) . . ?
 C51 C46 P2 124.1(3) . . ?
 C51 C46 C47 116.5(4) . . ?
 C46 C47 C52 120.6(4) . . ?
 C48 C47 C46 120.0(4) . . ?
 C48 C47 C52 119.4(4) . . ?
 C47 C48 H48 118.5 . . ?
 C49 C48 C47 123.0(4) . . ?
 C49 C48 H48 118.5 . . ?
 C48 C49 C50 117.6(5) . . ?
 C48 C49 C53 121.2(4) . . ?
 C50 C49 C53 121.2(5) . . ?
 C49 C50 H50 119.1 . . ?
 C49 C50 C51 121.9(5) . . ?
 C51 C50 H50 119.1 . . ?
 C46 C51 C54 121.8(4) . . ?
 C50 C51 C46 120.9(4) . . ?
 C50 C51 C54 117.2(4) . . ?
 C47 C52 H52A 109.5 . . ?
 C47 C52 H52B 109.5 . . ?
 C47 C52 H52C 109.5 . . ?
 H52A C52 H52B 109.5 . . ?
 H52A C52 H52C 109.5 . . ?
 H52B C52 H52C 109.5 . . ?
 C49 C53 H53A 109.5 . . ?
 C49 C53 H53B 109.5 . . ?
 C49 C53 H53C 109.5 . . ?
 H53A C53 H53B 109.5 . . ?
 H53A C53 H53C 109.5 . . ?
 H53B C53 H53C 109.5 . . ?
 C51 C54 H54A 109.5 . . ?
 C51 C54 H54B 109.5 . . ?
 C51 C54 H54C 109.5 . . ?
 H54A C54 H54B 109.5 . . ?
 H54A C54 H54C 109.5 . . ?
 H54B C54 H54C 109.5 . . ?
 C56 C55 P3 118.0(4) . . ?
 C60 C55 P3 124.2(3) . . ?
 C60 C55 C56 117.7(4) . . ?
 C55 C56 C61 121.8(4) . . ?
 C57 C56 C55 120.3(5) . . ?
 C57 C56 C61 117.9(4) . . ?
 C56 C57 H57 119.1 . . ?
 C58 C57 C56 121.7(5) . . ?
 C58 C57 H57 119.1 . . ?
 C57 C58 C62 121.2(5) . . ?
 C59 C58 C57 117.9(5) . . ?
 C59 C58 C62 120.9(5) . . ?
 C58 C59 H59 118.8 . . ?
 C58 C59 C60 122.3(5) . . ?
 C60 C59 H59 118.8 . . ?
 C55 C60 C0AA 122.4(4) . . ?
 C59 C60 C0AA 117.6(5) . . ?
 C59 C60 C55 120.0(5) . . ?
 C56 C61 H61A 109.5 . . ?
 C56 C61 H61B 109.5 . . ?
 C56 C61 H61C 109.5 . . ?
 H61A C61 H61B 109.5 . . ?
 H61A C61 H61C 109.5 . . ?
 H61B C61 H61C 109.5 . . ?
 C58 C62 H62A 109.5 . . ?
 C58 C62 H62B 109.5 . . ?
 C58 C62 H62C 109.5 . . ?
 H62A C62 H62B 109.5 . . ?
 H62A C62 H62C 109.5 . . ?
 H62B C62 H62C 109.5 . . ?
 Y1 Li1 Y3 99.06(19) . . ?
 Y2 Li1 Y1 99.8(2) . . ?
 Y2 Li1 Y3 98.58(17) . . ?
 P1 Li1 Y1 54.48(15) . . ?
 P1 Li1 Y2 54.74(14) . . ?
 P1 Li1 Y3 129.8(3) . . ?
 P2 Li1 Y1 132.1(3) . . ?
 P2 Li1 Y2 55.52(14) . . ?
 P2 Li1 Y3 53.88(13) . . ?
 P2 Li1 P1 109.3(3) . . ?
 P3 Li1 Y1 54.68(15) . . ?
 P3 Li1 Y2 129.7(3) . . ?
 P3 Li1 Y3 53.61(13) . . ?
 P3 Li1 P1 107.8(3) . . ?
 P3 Li1 P2 106.7(3) . . ?
 C79 O0AA C82 106.1(5) . . ?
 C79 O0AA Li3 126.2(5) . . ?
 C82 O0AA Li3 127.5(5) . . ?
 C91 O5 Li3 133.9(9) . . ?
 C94 O5 C91 107.4(12) . . ?
 C94 O5 Li3 117.8(12) . . ?
 C91A O5A C94A 103.5(13) . . ?
 C91A O5A Li3 129.7(11) . . ?
 C94A O5A Li3 125.8(10) . . ?
 C83 O6 C86 105.1(9) . . ?
 C83 O6 Li3 131.1(8) . . ?
 C86 O6 Li3 120.5(8) . . ?
 C83A O6A Li3 128.7(14) . . ?
 C86A O6A C83A 111(2) . . ?
 C86A O6A Li3 119.3(18) . . ?
 C87 O7 C90 104(2) . . ?
 C87 O7 Li3 127(2) . . ?
 C90 O7 Li3 129.0(17) . . ?
 C87A O7A Li3 117.1(15) . . ?
 C90A O7A C87A 110.6(17) . . ?
 C90A O7A Li3 126.5(14) . . ?
 O0AA C79 H79A 110.6 . . ?
 O0AA C79 H79B 110.6 . . ?
 O0AA C79 C80 105.6(6) . . ?
 H79A C79 H79B 108.8 . . ?
 C80 C79 H79A 110.6 . . ?
 C80 C79 H79B 110.6 . . ?
 C79 C80 H80A 111.2 . . ?
 C79 C80 H80B 111.2 . . ?
 H80A C80 H80B 109.1 . . ?
 C81 C80 C79 102.7(6) . . ?
 C81 C80 H80A 111.2 . . ?
 C81 C80 H80B 111.2 . . ?
 C80 C81 H81A 111.0 . . ?
 C80 C81 H81B 111.0 . . ?
 C80 C81 C82 103.7(5) . . ?
 H81A C81 H81B 109.0 . . ?
 C82 C81 H81A 111.0 . . ?
 C82 C81 H81B 111.0 . . ?
 O0AA C82 C81 108.7(5) . . ?
 O0AA C82 H82A 110.0 . . ?
 O0AA C82 H82B 110.0 . . ?
 C81 C82 H82A 110.0 . . ?
 C81 C82 H82B 110.0 . . ?
 H82A C82 H82B 108.3 . . ?
 O6 C83 H83A 109.6 . . ?
 O6 C83 H83B 109.6 . . ?
 H83A C83 H83B 108.1 . . ?
 C84 C83 O6 110.3(10) . . ?
 C84 C83 H83A 109.6 . . ?
 C84 C83 H83B 109.6 . . ?
 O6A C83A H83C 111.4 . . ?
 O6A C83A H83D 111.4 . . ?
 O6A C83A C84A 101.6(16) . . ?
 H83C C83A H83D 109.3 . . ?
 C84A C83A H83C 111.4 . . ?
 C84A C83A H83D 111.4 . . ?
 C83 C84 H84A 111.6 . . ?
 C83 C84 H84B 111.6 . . ?
 C83 C84 C85 100.7(12) . . ?
 H84A C84 H84B 109.4 . . ?
 C85 C84 H84A 111.6 . . ?
 C85 C84 H84B 111.6 . . ?
 C83A C84A H84C 109.5 . . ?
 C83A C84A H84D 109.5 . . ?
 H84C C84A H84D 108.1 . . ?
 C85A C84A C83A 110.6(18) . . ?
 C85A C84A H84C 109.5 . . ?
 C85A C84A H84D 109.5 . . ?
 C84 C85 H85A 110.2 . . ?
 C84 C85 H85B 110.2 . . ?
 C84 C85 C86 107.5(11) . . ?
 H85A C85 H85B 108.5 . . ?
 C86 C85 H85A 110.2 . . ?
 C86 C85 H85B 110.2 . . ?
 C84A C85A H85C 112.8 . . ?
 C84A C85A H85D 112.8 . . ?
 C84A C85A C86A 94.4(19) . . ?
 H85C C85A H85D 110.3 . . ?
 C86A C85A H85C 112.8 . . ?
 C86A C85A H85D 112.8 . . ?
 O6 C86 C85 94.8(8) . . ?
 O6 C86 H86A 112.8 . . ?
 O6 C86 H86B 112.8 . . ?
 C85 C86 H86A 112.8 . . ?
 C85 C86 H86B 112.8 . . ?
 H86A C86 H86B 110.2 . . ?
 O6A C86A C85A 102(2) . . ?
 O6A C86A H86C 111.3 . . ?
 O6A C86A H86D 111.3 . . ?
 C85A C86A H86C 111.3 . . ?
 C85A C86A H86D 111.3 . . ?
 H86C C86A H86D 109.2 . . ?
 O7 C87 H87A 111.1 . . ?
 O7 C87 H87B 111.1 . . ?
 O7 C87 C88 104(3) . . ?
 H87A C87 H87B 109.0 . . ?
 C88 C87 H87A 111.1 . . ?
 C88 C87 H87B 111.1 . . ?
 O7A C87A H87C 109.5 . . ?
 O7A C87A H87D 109.5 . . ?
 O7A C87A C88A 111(2) . . ?
 H87C C87A H87D 108.1 . . ?
 C88A C87A H87C 109.5 . . ?
 C88A C87A H87D 109.5 . . ?
 C87 C88 H88A 110.4 . . ?
 C87 C88 H88B 110.4 . . ?
 H88A C88 H88B 108.6 . . ?
 C89 C88 C87 106(2) . . ?
 C89 C88 H88A 110.4 . . ?
 C89 C88 H88B 110.4 . . ?
 C87A C88A H88C 111.8 . . ?
 C87A C88A H88D 111.8 . . ?
 H88C C88A H88D 109.5 . . ?
 C89A C88A C87A 100.0(17) . . ?
 C89A C88A H88C 111.8 . . ?
 C89A C88A H88D 111.8 . . ?
 C88 C89 H89A 110.3 . . ?
 C88 C89 H89B 110.3 . . ?
 H89A C89 H89B 108.6 . . ?
 C90 C89 C88 107(2) . . ?
 C90 C89 H89A 110.3 . . ?
 C90 C89 H89B 110.3 . . ?
 C88A C89A H89C 112.0 . . ?
 C88A C89A H89D 112.0 . . ?
 C88A C89A C90A 98.8(18) . . ?
 H89C C89A H89D 109.7 . . ?
 C90A C89A H89C 112.0 . . ?
 C90A C89A H89D 112.0 . . ?
 O7 C90 H90A 109.2 . . ?
 O7 C90 H90B 109.2 . . ?
 C89 C90 O7 112(3) . . ?
 C89 C90 H90A 109.2 . . ?
 C89 C90 H90B 109.2 . . ?
 H90A C90 H90B 107.9 . . ?
 O7A C90A C89A 99.6(13) . . ?
 O7A C90A H90C 111.9 . . ?
 O7A C90A H90D 111.9 . . ?
 C89A C90A H90C 111.9 . . ?
 C89A C90A H90D 111.9 . . ?
 H90C C90A H90D 109.6 . . ?
 O5 C91 H91A 110.2 . . ?
 O5 C91 H91B 110.2 . . ?
 O5 C91 C92 107.5(9) . . ?
 H91A C91 H91B 108.5 . . ?
 C92 C91 H91A 110.2 . . ?
 C92 C91 H91B 110.2 . . ?
 O5A C91A H91C 109.0 . . ?
 O5A C91A H91D 109.0 . . ?
 H91C C91A H91D 107.8 . . ?
 C92A C91A O5A 112.8(14) . . ?
 C92A C91A H91C 109.0 . . ?
 C92A C91A H91D 109.0 . . ?
 C91 C92 H92A 109.9 . . ?
 C91 C92 H92B 109.9 . . ?
 H92A C92 H92B 108.3 . . ?
 C93 C92 C91 109.0(11) . . ?
 C93 C92 H92A 109.9 . . ?
 C93 C92 H92B 109.9 . . ?
 C91A C92A H92C 110.6 . . ?
 C91A C92A H92D 110.6 . . ?
 C91A C92A C93A 105.6(15) . . ?
 H92C C92A H92D 108.8 . . ?
 C93A C92A H92C 110.6 . . ?
 C93A C92A H92D 110.6 . . ?
 C92 C93 H93A 110.8 . . ?
 C92 C93 H93B 110.8 . . ?
 C92 C93 C94 104.7(14) . . ?
 H93A C93 H93B 108.9 . . ?
 C94 C93 H93A 110.8 . . ?
 C94 C93 H93B 110.8 . . ?
 C92A C93A H93C 111.2 . . ?
 C92A C93A H93D 111.2 . . ?
 H93C C93A H93D 109.1 . . ?
 C94A C93A C92A 102.9(14) . . ?
 C94A C93A H93C 111.2 . . ?
 C94A C93A H93D 111.2 . . ?
 O5 C94 C93 109.7(16) . . ?
 O5 C94 H94A 109.7 . . ?
 O5 C94 H94B 109.7 . . ?
 C93 C94 H94A 109.7 . . ?
 C93 C94 H94B 109.7 . . ?
 H94A C94 H94B 108.2 . . ?
 O5A C94A H94C 110.4 . . ?
 O5A C94A H94D 110.4 . . ?
 C93A C94A O5A 106.4(13) . . ?
 C93A C94A H94C 110.4 . . ?
 C93A C94A H94D 110.4 . . ?
 H94C C94A H94D 108.6 . . ?
 O0AA Li3 O5 119.4(6) . . ?
 O0AA Li3 O6 104.0(5) . . ?
 O0AA Li3 O7 108.1(9) . . ?
 O5 Li3 O7 118.2(11) . . ?
 O5A Li3 O0AA 107.2(6) . . ?
 O6 Li3 O5 105.1(6) . . ?
 O6 Li3 O7 99.0(11) . . ?
 O6A Li3 O0AA 120.6(9) . . ?
 O6A Li3 O5A 107.7(9) . . ?
 O6A Li3 O7A 118.3(11) . . ?
 O7A Li3 O0AA 105.5(8) . . ?
 O7A Li3 O5A 93.8(9) . . ?
 C63 O1 C66 108.1(4) . . ?
 C63 O1 Li2 125.9(4) . . ?
 C66 O1 Li2 124.3(4) . . ?
 C67 O2 Li2 124.9(5) . . ?
 C70 O2 C67 109.4(4) . . ?
 C70 O2 Li2 122.8(4) . . ?
 C71 O3 C74 105.1(10) . . ?
 C71 O3 Li2 127.1(6) . . ?
 C74 O3 Li2 126.2(10) . . ?
 C75 O4 C78 109.2(4) . . ?
 C75 O4 Li2 125.9(5) . . ?
 C78 O4 Li2 124.6(4) . . ?
 O1 C63 H63A 110.2 . . ?
 O1 C63 H63B 110.2 . . ?
 O1 C63 C64 107.5(4) . . ?
 H63A C63 H63B 108.5 . . ?
 C64 C63 H63A 110.2 . . ?
 C64 C63 H63B 110.2 . . ?
 C63 C64 H64A 110.6 . . ?
 C63 C64 H64B 110.6 . . ?
 H64A C64 H64B 108.7 . . ?
 C65 C64 C63 105.8(5) . . ?
 C65 C64 H64A 110.6 . . ?
 C65 C64 H64B 110.6 . . ?
 C64 C65 H65A 110.2 . . ?
 C64 C65 H65B 110.2 . . ?
 C64 C65 C66 107.8(5) . . ?
 H65A C65 H65B 108.5 . . ?
 C66 C65 H65A 110.2 . . ?
 C66 C65 H65B 110.2 . . ?
 O1 C66 C65 106.9(4) . . ?
 O1 C66 H66A 110.3 . . ?
 O1 C66 H66B 110.3 . . ?
 C65 C66 H66A 110.3 . . ?
 C65 C66 H66B 110.3 . . ?
 H66A C66 H66B 108.6 . . ?
 O2 C67 H67A 110.7 . . ?
 O2 C67 H67B 110.7 . . ?
 O2 C67 C68 105.2(5) . . ?
 H67A C67 H67B 108.8 . . ?
 C68 C67 H67A 110.7 . . ?
 C68 C67 H67B 110.7 . . ?
 C67 C68 H68A 110.8 . . ?
 C67 C68 H68B 110.8 . . ?
 H68A C68 H68B 108.9 . . ?
 C69 C68 C67 104.6(5) . . ?
 C69 C68 H68A 110.8 . . ?
 C69 C68 H68B 110.8 . . ?
 C68 C69 H69A 110.4 . . ?
 C68 C69 H69B 110.4 . . ?
 C68 C69 C70 106.6(5) . . ?
 H69A C69 H69B 108.6 . . ?
 C70 C69 H69A 110.4 . . ?
 C70 C69 H69B 110.4 . . ?
 O2 C70 C69 106.1(5) . . ?
 O2 C70 H70A 110.5 . . ?
 O2 C70 H70B 110.5 . . ?
 C69 C70 H70A 110.5 . . ?
 C69 C70 H70B 110.5 . . ?
 H70A C70 H70B 108.7 . . ?
 O3 C71 H71A 110.3 . . ?
 O3 C71 H71B 110.3 . . ?
 O3 C71 C72 106.9(9) . . ?
 H71A C71 H71B 108.6 . . ?
 C72 C71 H71A 110.3 . . ?
 C72 C71 H71B 110.3 . . ?
 C71 C72 H72A 110.8 . . ?
 C71 C72 H72B 110.8 . . ?
 C71 C72 C73 104.6(11) . . ?
 H72A C72 H72B 108.9 . . ?
 C73 C72 H72A 110.8 . . ?
 C73 C72 H72B 110.8 . . ?
 C72 C73 H73A 111.0 . . ?
 C72 C73 H73B 111.0 . . ?
 C72 C73 C74 103.9(14) . . ?
 H73A C73 H73B 109.0 . . ?
 C74 C73 H73A 111.0 . . ?
 C74 C73 H73B 111.0 . . ?
 O3 C74 C73 106.4(13) . . ?
 O3 C74 H74A 110.4 . . ?
 O3 C74 H74B 110.4 . . ?
 C73 C74 H74A 110.4 . . ?
 C73 C74 H74B 110.4 . . ?
 H74A C74 H74B 108.6 . . ?
 O4 C75 H75A 110.3 . . ?
 O4 C75 H75B 110.3 . . ?
 O4 C75 C76 107.2(5) . . ?
 H75A C75 H75B 108.5 . . ?
 C76 C75 H75A 110.3 . . ?
 C76 C75 H75B 110.3 . . ?
 C75 C76 H76A 111.2 . . ?
 C75 C76 H76B 111.2 . . ?
 C75 C76 C77 103.1(5) . . ?
 H76A C76 H76B 109.1 . . ?
 C77 C76 H76A 111.2 . . ?
 C77 C76 H76B 111.2 . . ?
 C76 C77 H77A 111.1 . . ?
 C76 C77 H77B 111.1 . . ?
 H77A C77 H77B 109.1 . . ?
 C78 C77 C76 103.3(5) . . ?
 C78 C77 H77A 111.1 . . ?
 C78 C77 H77B 111.1 . . ?
 O4 C78 C77 106.0(4) . . ?
 O4 C78 H78A 110.5 . . ?
 O4 C78 H78B 110.5 . . ?
 C77 C78 H78A 110.5 . . ?
 C77 C78 H78B 110.5 . . ?
 H78A C78 H78B 108.7 . . ?
 O1 Li2 O2 111.1(5) . . ?
 O1 Li2 O4 110.7(4) . . ?
 O1 Li2 O3A 115.0(7) . . ?
 O2 Li2 O4 109.3(5) . . ?
 O2 Li2 O3A 115.3(7) . . ?
 O3 Li2 O1 110.3(5) . . ?
 O3 Li2 O2 102.1(5) . . ?
 O3 Li2 O4 112.9(6) . . ?
 O4 Li2 O3A 94.1(6) . . ?
 C98 O9 C95 101.0(9) . . ?
 C95A O9A C98A 109.6(13) . . ?
 O9 C95 H95A 110.9 . . ?
 O9 C95 H95B 110.9 . . ?
 O9 C95 C96 104.3(9) . . ?
 H95A C95 H95B 108.9 . . ?
 C96 C95 H95A 110.9 . . ?
 C96 C95 H95B 110.9 . . ?
 O9A C95A H95C 111.1 . . ?
 O9A C95A H95D 111.1 . . ?
 O9A C95A C96A 103.3(14) . . ?
 H95C C95A H95D 109.1 . . ?
 C96A C95A H95C 111.1 . . ?
 C96A C95A H95D 111.1 . . ?
 C95 C96 H96A 111.1 . . ?
 C95 C96 H96B 111.1 . . ?
 C95 C96 C97 103.3(11) . . ?
 H96A C96 H96B 109.1 . . ?
 C97 C96 H96A 111.1 . . ?
 C97 C96 H96B 111.1 . . ?
 C95A C96A H96C 111.1 . . ?
 C95A C96A H96D 111.1 . . ?
 H96C C96A H96D 109.1 . . ?
 C97A C96A C95A 103.2(16) . . ?
 C97A C96A H96C 111.1 . . ?
 C97A C96A H96D 111.1 . . ?
 C96 C97 H97A 111.0 . . ?
 C96 C97 H97B 111.0 . . ?
 H97A C97 H97B 109.0 . . ?
 C98 C97 C96 103.7(11) . . ?
 C98 C97 H97A 111.0 . . ?
 C98 C97 H97B 111.0 . . ?
 C96A C97A H97C 111.4 . . ?
 C96A C97A H97D 111.4 . . ?
 C96A C97A C98A 102.0(16) . . ?
 H97C C97A H97D 109.2 . . ?
 C98A C97A H97C 111.4 . . ?
 C98A C97A H97D 111.4 . . ?
 O9 C98 H98A 108.7 . . ?
 O9 C98 H98B 108.7 . . ?
 C97 C98 O9 114.3(13) . . ?
 C97 C98 H98A 108.7 . . ?
 C97 C98 H98B 108.7 . . ?
 H98A C98 H98B 107.6 . . ?
 O9A C98A C97A 103.3(15) . . ?
 O9A C98A H98C 111.1 . . ?
 O9A C98A H98D 111.1 . . ?
 C97A C98A H98C 111.1 . . ?
 C97A C98A H98D 111.1 . . ?
 H98C C98A H98D 109.1 . . ?
 H71C C71A H71D 109.4 . . ?
 O3A C71A H71C 111.6 . . ?
 O3A C71A H71D 111.6 . . ?
 O3A C71A C72A 100.9(17) . . ?
 C72A C71A H71C 111.6 . . ?
 C72A C71A H71D 111.6 . . ?
 C71A O3A Li2 122.6(13) . . ?
 C71A O3A C74A 116(2) . . ?
 C74A O3A Li2 113.4(17) . . ?
 O3A C74A H74C 111.3 . . ?
 O3A C74A H74D 111.3 . . ?
 O3A C74A C73A 102(3) . . ?
 H74C C74A H74D 109.2 . . ?
 C73A C74A H74C 111.3 . . ?
 C73A C74A H74D 111.3 . . ?
 C74A C73A H73C 111.5 . . ?
 C74A C73A H73D 111.5 . . ?
 C74A C73A C72A 101(3) . . ?
 H73C C73A H73D 109.3 . . ?
 C72A C73A H73C 111.5 . . ?
 C72A C73A H73D 111.5 . . ?
 C71A C72A H72C 111.7 . . ?
 C71A C72A H72D 111.7 . . ?
 C73A C72A C71A 100(3) . . ?
 C73A C72A H72C 111.7 . . ?
 C73A C72A H72D 111.7 . . ?
 H72C C72A H72D 109.4 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Y1 P1 C37 C38 75.6(4) . . . . ?
 Y1 P1 C37 C42 -102.2(3) . . . . ?
 Y1 P3 C55 C56 75.9(3) . . . . ?
 Y1 P3 C55 C60 -103.1(4) . . . . ?
 Y1 C1 C2 C3 -69.1(3) . . . . ?
 Y1 C1 C5 C4 66.3(3) . . . . ?
 Y1 C1 C5 C6 -118.7(5) . . . . ?
 Y1 C2 C3 C4 -69.8(3) . . . . ?
 Y1 C3 C4 C5 -69.7(3) . . . . ?
 Y1 C4 C5 C1 -67.3(3) . . . . ?
 Y1 C4 C5 C6 117.8(5) . . . . ?
 Y1 C7 C8 C9 -67.1(3) . . . . ?
 Y1 C7 C11 C10 68.4(3) . . . . ?
 Y1 C7 C11 C12 -112.1(4) . . . . ?
 Y1 C8 C9 C10 -68.5(3) . . . . ?
 Y1 C9 C10 C11 -68.1(3) . . . . ?
 Y1 C10 C11 C7 -69.2(3) . . . . ?
 Y1 C10 C11 C12 111.3(5) . . . . ?
 Y2 P1 C37 C38 -91.9(4) . . . . ?
 Y2 P1 C37 C42 90.3(3) . . . . ?
 Y2 P2 C46 C47 -83.7(3) . . . . ?
 Y2 P2 C46 C51 90.9(4) . . . . ?
 Y2 C13 C14 C15 -69.1(3) . . . . ?
 Y2 C13 C17 C16 66.9(4) . . . . ?
 Y2 C13 C17 C18 -118.7(5) . . . . ?
 Y2 C14 C15 C16 -70.8(4) . . . . ?
 Y2 C15 C16 C17 -68.8(4) . . . . ?
 Y2 C16 C17 C13 -66.6(3) . . . . ?
 Y2 C16 C17 C18 119.3(6) . . . . ?
 Y2 C19 C20 C21 -67.7(4) . . . . ?
 Y2 C19 C23 C22 67.4(3) . . . . ?
 Y2 C19 C23 C24 -116.8(5) . . . . ?
 Y2 C20 C21 C22 -68.8(3) . . . . ?
 Y2 C21 C22 C23 -69.0(4) . . . . ?
 Y2 C22 C23 C19 -68.0(3) . . . . ?
 Y2 C22 C23 C24 116.1(5) . . . . ?
 Y3 P2 C46 C47 93.7(3) . . . . ?
 Y3 P2 C46 C51 -91.7(4) . . . . ?
 Y3 P3 C55 C56 -99.3(3) . . . . ?
 Y3 P3 C55 C60 81.8(4) . . . . ?
 Y3 C25 C26 C27 -69.3(3) . . . . ?
 Y3 C25 C29 C28 68.0(3) . . . . ?
 Y3 C25 C29 C30 -115.7(5) . . . . ?
 Y3 C26 C27 C28 -71.1(3) . . . . ?
 Y3 C27 C28 C29 -67.4(3) . . . . ?
 Y3 C28 C29 C25 -67.3(3) . . . . ?
 Y3 C28 C29 C30 116.4(5) . . . . ?
 Y3 C31 C32 C33 -68.0(4) . . . . ?
 Y3 C31 C35 C34 67.9(4) . . . . ?
 Y3 C31 C35 C36 -113.4(5) . . . . ?
 Y3 C32 C33 C34 -69.8(4) . . . . ?
 Y3 C33 C34 C35 -68.2(4) . . . . ?
 Y3 C34 C35 C31 -68.2(4) . . . . ?
 Y3 C34 C35 C36 113.1(6) . . . . ?
 P1 C37 C38 C39 -175.6(3) . . . . ?
 P1 C37 C38 C43 1.8(6) . . . . ?
 P1 C37 C42 C41 176.2(3) . . . . ?
 P1 C37 C42 C45 -1.5(6) . . . . ?
 P2 C46 C47 C48 172.5(3) . . . . ?
 P2 C46 C47 C52 -5.8(6) . . . . ?
 P2 C46 C51 C50 -173.0(3) . . . . ?
 P2 C46 C51 C54 2.5(6) . . . . ?
 P3 C55 C56 C57 -177.3(4) . . . . ?
 P3 C55 C56 C61 4.5(6) . . . . ?
 P3 C55 C60 C0AA -0.7(7) . . . . ?
 P3 C55 C60 C59 178.1(3) . . . . ?
 C1 C2 C3 Y1 70.9(3) . . . . ?
 C1 C2 C3 C4 1.1(5) . . . . ?
 C2 C1 C5 Y1 -65.6(3) . . . . ?
 C2 C1 C5 C4 0.7(5) . . . . ?
 C2 C1 C5 C6 175.8(4) . . . . ?
 C2 C3 C4 Y1 69.1(3) . . . . ?
 C2 C3 C4 C5 -0.7(5) . . . . ?
 C3 C4 C5 Y1 67.3(3) . . . . ?
 C3 C4 C5 C1 0.0(5) . . . . ?
 C3 C4 C5 C6 -174.9(5) . . . . ?
 C5 C1 C2 Y1 68.0(3) . . . . ?
 C5 C1 C2 C3 -1.2(6) . . . . ?
 C7 C8 C9 Y1 67.8(3) . . . . ?
 C7 C8 C9 C10 -0.7(5) . . . . ?
 C8 C7 C11 Y1 -67.7(3) . . . . ?
 C8 C7 C11 C10 0.7(5) . . . . ?
 C8 C7 C11 C12 -179.8(4) . . . . ?
 C8 C9 C10 Y1 69.3(3) . . . . ?
 C8 C9 C10 C11 1.2(5) . . . . ?
 C9 C10 C11 Y1 68.0(3) . . . . ?
 C9 C10 C11 C7 -1.2(5) . . . . ?
 C9 C10 C11 C12 179.4(4) . . . . ?
 C11 C7 C8 Y1 67.1(3) . . . . ?
 C11 C7 C8 C9 0.0(5) . . . . ?
 C13 C14 C15 Y2 70.4(3) . . . . ?
 C13 C14 C15 C16 -0.4(6) . . . . ?
 C14 C13 C17 Y2 -66.8(4) . . . . ?
 C14 C13 C17 C16 0.1(6) . . . . ?
 C14 C13 C17 C18 174.4(5) . . . . ?
 C14 C15 C16 Y2 69.2(3) . . . . ?
 C14 C15 C16 C17 0.4(6) . . . . ?
 C15 C16 C17 Y2 66.3(4) . . . . ?
 C15 C16 C17 C13 -0.3(6) . . . . ?
 C15 C16 C17 C18 -174.4(5) . . . . ?
 C17 C13 C14 Y2 69.3(4) . . . . ?
 C17 C13 C14 C15 0.2(6) . . . . ?
 C19 C20 C21 Y2 68.8(4) . . . . ?
 C19 C20 C21 C22 0.1(6) . . . . ?
 C20 C19 C23 Y2 -67.3(4) . . . . ?
 C20 C19 C23 C22 0.2(6) . . . . ?
 C20 C19 C23 C24 176.0(5) . . . . ?
 C20 C21 C22 Y2 69.1(4) . . . . ?
 C20 C21 C22 C23 0.0(6) . . . . ?
 C21 C22 C23 Y2 67.8(3) . . . . ?
 C21 C22 C23 C19 -0.1(6) . . . . ?
 C21 C22 C23 C24 -176.0(5) . . . . ?
 C23 C19 C20 Y2 67.6(4) . . . . ?
 C23 C19 C20 C21 -0.1(6) . . . . ?
 C25 C26 C27 Y3 70.5(3) . . . . ?
 C25 C26 C27 C28 -0.6(5) . . . . ?
 C26 C25 C29 Y3 -66.5(3) . . . . ?
 C26 C25 C29 C28 1.6(6) . . . . ?
 C26 C25 C29 C30 177.8(5) . . . . ?
 C26 C27 C28 Y3 69.0(3) . . . . ?
 C26 C27 C28 C29 1.6(6) . . . . ?
 C27 C28 C29 Y3 65.4(3) . . . . ?
 C27 C28 C29 C25 -2.0(6) . . . . ?
 C27 C28 C29 C30 -178.2(5) . . . . ?
 C29 C25 C26 Y3 68.7(4) . . . . ?
 C29 C25 C26 C27 -0.6(6) . . . . ?
 C31 C32 C33 Y3 69.1(4) . . . . ?
 C31 C32 C33 C34 -0.7(6) . . . . ?
 C32 C31 C35 Y3 -67.0(4) . . . . ?
 C32 C31 C35 C34 0.9(6) . . . . ?
 C32 C31 C35 C36 179.7(5) . . . . ?
 C32 C33 C34 Y3 69.5(4) . . . . ?
 C32 C33 C34 C35 1.3(6) . . . . ?
 C33 C34 C35 Y3 66.9(4) . . . . ?
 C33 C34 C35 C31 -1.3(6) . . . . ?
 C33 C34 C35 C36 179.9(5) . . . . ?
 C35 C31 C32 Y3 67.8(4) . . . . ?
 C35 C31 C32 C33 -0.1(6) . . . . ?
 C37 C38 C39 C40 -1.4(7) . . . . ?
 C38 C37 C42 C41 -1.8(6) . . . . ?
 C38 C37 C42 C45 -179.4(4) . . . . ?
 C38 C39 C40 C41 -0.1(7) . . . . ?
 C38 C39 C40 C44 179.3(4) . . . . ?
 C39 C40 C41 C42 0.6(7) . . . . ?
 C40 C41 C42 C37 0.4(7) . . . . ?
 C40 C41 C42 C45 178.1(4) . . . . ?
 C42 C37 C38 C39 2.3(6) . . . . ?
 C42 C37 C38 C43 179.7(4) . . . . ?
 C43 C38 C39 C40 -178.9(4) . . . . ?
 C44 C40 C41 C42 -178.8(4) . . . . ?
 C46 C47 C48 C49 1.9(7) . . . . ?
 C47 C46 C51 C50 1.7(6) . . . . ?
 C47 C46 C51 C54 177.2(4) . . . . ?
 C47 C48 C49 C50 -0.5(7) . . . . ?
 C47 C48 C49 C53 179.7(4) . . . . ?
 C48 C49 C50 C51 -0.3(7) . . . . ?
 C49 C50 C51 C46 -0.3(7) . . . . ?
 C49 C50 C51 C54 -176.0(4) . . . . ?
 C51 C46 C47 C48 -2.5(6) . . . . ?
 C51 C46 C47 C52 179.2(4) . . . . ?
 C52 C47 C48 C49 -179.8(4) . . . . ?
 C53 C49 C50 C51 179.5(4) . . . . ?
 C55 C56 C57 C58 -1.2(7) . . . . ?
 C56 C55 C60 C0AA -179.7(4) . . . . ?
 C56 C55 C60 C59 -0.9(7) . . . . ?
 C56 C57 C58 C59 -0.4(8) . . . . ?
 C56 C57 C58 C62 179.7(5) . . . . ?
 C57 C58 C59 C60 1.2(8) . . . . ?
 C58 C59 C60 C0AA 178.3(5) . . . . ?
 C58 C59 C60 C55 -0.6(8) . . . . ?
 C60 C55 C56 C57 1.8(7) . . . . ?
 C60 C55 C56 C61 -176.5(4) . . . . ?
 C61 C56 C57 C58 177.1(5) . . . . ?
 C62 C58 C59 C60 -178.8(5) . . . . ?
 Li1 P1 C37 C38 -8.4(4) . . . . ?
 Li1 P1 C37 C42 173.8(3) . . . . ?
 Li1 P2 C46 C47 -172.4(3) . . . . ?
 Li1 P2 C46 C51 2.1(5) . . . . ?
 Li1 P3 C55 C56 165.7(3) . . . . ?
 Li1 P3 C55 C60 -13.3(5) . . . . ?
 O0AA C79 C80 C81 -37.4(8) . . . . ?
 O5 C91 C92 C93 -1.7(16) . . . . ?
 O5A C91A C92A C93A 7(3) . . . . ?
 O6 C83 C84 C85 46.3(15) . . . . ?
 O6A C83A C84A C85A -22(3) . . . . ?
 O7 C87 C88 C89 -7(4) . . . . ?
 O7A C87A C88A C89A -33(3) . . . . ?
 C79 O0AA C82 C81 -10.8(7) . . . . ?
 C79 C80 C81 C82 29.3(8) . . . . ?
 C80 C81 C82 O0AA -12.8(8) . . . . ?
 C82 O0AA C79 C80 29.5(7) . . . . ?
 C83 O6 C86 C85 -0.3(10) . . . . ?
 C83 C84 C85 C86 -45.2(14) . . . . ?
 C83A O6A C86A C85A 33(3) . . . . ?
 C83A O6A Li3 O0AA 95(2) . . . . ?
 C83A O6A Li3 O5 -25(2) . . . . ?
 C83A O6A Li3 O5A -29(2) . . . . ?
 C83A O6A Li3 O6 143(4) . . . . ?
 C83A O6A Li3 O7 -142(2) . . . . ?
 C83A O6A Li3 O7A -133(2) . . . . ?
 C83A C84A C85A C86A 38(3) . . . . ?
 C84 C85 C86 O6 27.2(13) . . . . ?
 C84A C85A C86A O6A -43(3) . . . . ?
 C86 O6 C83 C84 -28.0(15) . . . . ?
 C86A O6A C83A C84A -11(3) . . . . ?
 C86A O6A Li3 O0AA -75(3) . . . . ?
 C86A O6A Li3 O5 166(3) . . . . ?
 C86A O6A Li3 O5A 162(3) . . . . ?
 C86A O6A Li3 O6 -26(2) . . . . ?
 C86A O6A Li3 O7 49(3) . . . . ?
 C86A O6A Li3 O7A 58(3) . . . . ?
 C87 O7 C90 C89 -29(4) . . . . ?
 C87 C88 C89 C90 -11(5) . . . . ?
 C87A O7A C90A C89A 22(2) . . . . ?
 C87A O7A Li3 O0AA 42(2) . . . . ?
 C87A O7A Li3 O5 172(2) . . . . ?
 C87A O7A Li3 O5A 151(2) . . . . ?
 C87A O7A Li3 O6 -71(3) . . . . ?
 C87A O7A Li3 O6A -96(3) . . . . ?
 C87A O7A Li3 O7 -60(5) . . . . ?
 C87A C88A C89A C90A 41(2) . . . . ?
 C88 C89 C90 O7 24(5) . . . . ?
 C88A C89A C90A O7A -41.0(18) . . . . ?
 C90 O7 C87 C88 19(4) . . . . ?
 C90A O7A C87A C88A 4(3) . . . . ?
 C90A O7A Li3 O0AA -167.2(14) . . . . ?
 C90A O7A Li3 O5 -37.5(18) . . . . ?
 C90A O7A Li3 O5A -58.2(17) . . . . ?
 C90A O7A Li3 O6 79.6(17) . . . . ?
 C90A O7A Li3 O6A 54.2(19) . . . . ?
 C90A O7A Li3 O7 91(6) . . . . ?
 C91 O5 C94 C93 -14(2) . . . . ?
 C91 C92 C93 C94 -6(2) . . . . ?
 C91A O5A C94A C93A 30.4(19) . . . . ?
 C91A O5A Li3 O0AA 155.7(14) . . . . ?
 C91A O5A Li3 O5 -81.4(19) . . . . ?
 C91A O5A Li3 O6 -77.5(17) . . . . ?
 C91A O5A Li3 O6A -73.1(17) . . . . ?
 C91A O5A Li3 O7 40.3(19) . . . . ?
 C91A O5A Li3 O7A 48.2(17) . . . . ?
 C91A C92A C93A C94A 12(3) . . . . ?
 C92 C93 C94 O5 12(2) . . . . ?
 C92A C93A C94A O5A -26(2) . . . . ?
 C94 O5 C91 C92 9.5(15) . . . . ?
 C94A O5A C91A C92A -23(2) . . . . ?
 C94A O5A Li3 O0AA -37.9(15) . . . . ?
 C94A O5A Li3 O5 85.0(17) . . . . ?
 C94A O5A Li3 O6 88.9(15) . . . . ?
 C94A O5A Li3 O6A 93.2(16) . . . . ?
 C94A O5A Li3 O7 -153.3(15) . . . . ?
 C94A O5A Li3 O7A -145.5(15) . . . . ?
 Li3 O0AA C79 C80 -155.2(5) . . . . ?
 Li3 O0AA C82 C81 173.9(5) . . . . ?
 Li3 O5 C91 C92 177.6(10) . . . . ?
 Li3 O5 C94 C93 175.9(13) . . . . ?
 Li3 O5A C91A C92A 146(2) . . . . ?
 Li3 O5A C94A C93A -138.8(14) . . . . ?
 Li3 O6 C83 C84 130.6(12) . . . . ?
 Li3 O6 C86 C85 -161.8(8) . . . . ?
 Li3 O6A C83A C84A 179.4(18) . . . . ?
 Li3 O6A C86A C85A -156.0(16) . . . . ?
 Li3 O7 C87 C88 -162(3) . . . . ?
 Li3 O7 C90 C89 153(5) . . . . ?
 Li3 O7A C87A C88A 159(2) . . . . ?
 Li3 O7A C90A C89A -130.1(18) . . . . ?
 O1 C63 C64 C65 17.3(7) . . . . ?
 O2 C67 C68 C69 -28.1(8) . . . . ?
 O3 C71 C72 C73 37.5(16) . . . . ?
 O4 C75 C76 C77 26.6(6) . . . . ?
 C63 O1 C66 C65 15.9(7) . . . . ?
 C63 C64 C65 C66 -7.4(8) . . . . ?
 C64 C65 C66 O1 -4.9(8) . . . . ?
 C66 O1 C63 C64 -20.8(7) . . . . ?
 C67 O2 C70 C69 -2.3(6) . . . . ?
 C67 C68 C69 C70 26.8(8) . . . . ?
 C68 C69 C70 O2 -15.8(7) . . . . ?
 C70 O2 C67 C68 18.7(7) . . . . ?
 C71 O3 C74 C73 7.8(16) . . . . ?
 C71 O3 Li2 O1 149.2(7) . . . . ?
 C71 O3 Li2 O2 30.9(9) . . . . ?
 C71 O3 Li2 O4 -86.4(8) . . . . ?
 C71 O3 Li2 O3A -103(2) . . . . ?
 C71 C72 C73 C74 -31.0(19) . . . . ?
 C72 C73 C74 O3 14(2) . . . . ?
 C74 O3 C71 C72 -27.9(13) . . . . ?
 C74 O3 Li2 O1 -46.9(14) . . . . ?
 C74 O3 Li2 O2 -165.2(12) . . . . ?
 C74 O3 Li2 O4 77.5(13) . . . . ?
 C74 O3 Li2 O3A 61(2) . . . . ?
 C75 O4 C78 C77 -12.4(5) . . . . ?
 C75 C76 C77 C78 -33.2(6) . . . . ?
 C76 C77 C78 O4 28.6(5) . . . . ?
 C78 O4 C75 C76 -9.1(6) . . . . ?
 Li2 O1 C63 C64 173.8(5) . . . . ?
 Li2 O1 C66 C65 -178.4(5) . . . . ?
 Li2 O2 C67 C68 -142.5(6) . . . . ?
 Li2 O2 C70 C69 159.4(5) . . . . ?
 Li2 O3 C71 C72 138.8(10) . . . . ?
 Li2 O3 C74 C73 -158.9(12) . . . . ?
 Li2 O4 C75 C76 164.9(5) . . . . ?
 Li2 O4 C78 C77 173.5(4) . . . . ?
 Li2 O3A C74A C73A 170(2) . . . . ?
 O9 C95 C96 C97 21.4(12) . . . . ?
 O9A C95A C96A C97A -37(4) . . . . ?
 C95 O9 C98 C97 37.6(18) . . . . ?
 C95 C96 C97 C98 0.1(17) . . . . ?
 C95A O9A C98A C97A 10(5) . . . . ?
 C95A C96A C97A C98A 43(4) . . . . ?
 C96 C97 C98 O9 -23(2) . . . . ?
 C96A C97A C98A O9A -34(5) . . . . ?
 C98 O9 C95 C96 -33.3(12) . . . . ?
 C98A O9A C95A C96A 14(5) . . . . ?
 C71A O3A C74A C73A 19(3) . . . . ?
 O3A C71A C72A C73A -31(3) . . . . ?
 O3A C74A C73A C72A -38(4) . . . . ?
 C74A C73A C72A C71A 42(3) . . . . ?
 C72A C71A O3A Li2 -140(2) . . . . ?
 C72A C71A O3A C74A 8(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
