# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2013


#######################################################################
#
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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
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#  fide research purposes only. It may contain copyright material 
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data_av13
_database_code_depnum_ccdc_archive 'CCDC 901745'
#TrackingRef '14007_web_deposit_cif_file_0_RichardLayfield_1347877086.GdH av13.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H62 Gd2 N8, 2(C32 H12 B F24), C4 H10 O'
_chemical_formula_sum            'C92 H96 B2 F48 Gd2 N8 O'
_chemical_formula_weight         2577.89

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  -P1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.5003(11)
_cell_length_b                   14.3637(12)
_cell_length_c                   16.0369(14)
_cell_angle_alpha                67.9589(14)
_cell_angle_beta                 75.1829(14)
_cell_angle_gamma                83.3058(15)
_cell_volume                     2579.6(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4660
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      21.48


_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1282
_exptl_absorpt_coefficient_mu    1.411
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6233
_exptl_absorpt_correction_T_max  0.8379
_exptl_absorpt_process_details   'Platon Mulabs'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source         microsource
_diffrn_radiation_monochromator  multilayer
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35157
_diffrn_reflns_av_R_equivalents  0.1186
_diffrn_reflns_av_sigmaI/netI    0.1333
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.10
_diffrn_reflns_theta_max         29.55
_reflns_number_total             13157
_reflns_number_gt                8187
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART (2001)'
_computing_cell_refinement       'Bruker SMART (2001)'
_computing_data_reduction        'Bruker SAINT+ (1999)'
_computing_structure_solution    'SIR-92 (Altomare 1992)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1999)'


_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0730P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13157
_refine_ls_number_parameters     738
_refine_ls_number_restraints     135
_refine_ls_R_factor_all          0.0989
_refine_ls_R_factor_gt           0.0683
_refine_ls_wR_factor_ref         0.1764
_refine_ls_wR_factor_gt          0.1622
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.55886(3) 0.01684(2) 0.57820(2) 0.03845(12) Uani 1 1 d D . .
H1 H 0.494(10) 0.081(9) 0.459(5) 0.046 Uiso 0.50 1 d PD . .
H2 H 0.462(9) -0.070(9) 0.546(9) 0.046 Uiso 0.50 1 d PD . .
H3 H 0.613(10) -0.036(9) 0.468(6) 0.046 Uiso 0.50 1 d PD . .
N1 N 0.7585(6) 0.0656(6) 0.5177(6) 0.078(2) Uani 1 1 d DU A .
N2 N 0.5249(6) -0.1398(4) 0.7234(4) 0.0596(18) Uani 1 1 d . A .
N3 N 0.4558(5) 0.1637(4) 0.6231(4) 0.0467(14) Uani 1 1 d . A .
N4 N 0.6311(6) 0.0397(5) 0.7085(5) 0.0567(17) Uani 1 1 d . A .
C1A C 0.777(2) -0.0443(13) 0.5394(13) 0.081(7) Uani 0.50 1 d P A 1
H1A H 0.8110 -0.0820 0.5926 0.097 Uiso 0.50 1 calc PR A 1
H1B H 0.8025 -0.0675 0.4866 0.097 Uiso 0.50 1 calc PR A 1
C1B C 0.817(3) -0.0215(19) 0.491(2) 0.136(10) Uani 0.50 1 d PDU A 2
H1C H 0.7698 -0.0802 0.5208 0.205 Uiso 0.50 1 calc PR A 2
H1D H 0.8867 -0.0380 0.5121 0.205 Uiso 0.50 1 calc PR A 2
H1E H 0.8335 -0.0026 0.4240 0.205 Uiso 0.50 1 calc PRD A 2
C2 C 0.7889(11) 0.1454(9) 0.4285(8) 0.127(5) Uani 1 1 d . . .
H2A H 0.8692 0.1434 0.4047 0.191 Uiso 1 1 calc R A .
H2B H 0.7664 0.2104 0.4352 0.191 Uiso 1 1 calc R . .
H2C H 0.7516 0.1365 0.3853 0.191 Uiso 1 1 calc RD . .
C3 C 0.5446(11) -0.2335(9) 0.7084(8) 0.114(4) Uani 1 1 d U . .
H3A H 0.6234 -0.2407 0.6813 0.171 Uiso 1 1 calc R A .
H3B H 0.5008 -0.2347 0.6661 0.171 Uiso 1 1 calc R . .
H3C H 0.5232 -0.2891 0.7675 0.171 Uiso 1 1 calc R . .
C4 C 0.4014(9) -0.1392(9) 0.7664(7) 0.099(3) Uani 1 1 d U . .
H4A H 0.3599 -0.1404 0.7227 0.149 Uiso 1 1 calc R A .
H4B H 0.3809 -0.0782 0.7813 0.149 Uiso 1 1 calc R . .
H4C H 0.3838 -0.1984 0.8231 0.149 Uiso 1 1 calc R . .
C5 C 0.3342(9) 0.1633(9) 0.6353(11) 0.135(5) Uani 1 1 d . . .
H5A H 0.3003 0.1230 0.6994 0.202 Uiso 1 1 calc R A .
H5B H 0.3174 0.1344 0.5937 0.202 Uiso 1 1 calc R . .
H5C H 0.3044 0.2323 0.6207 0.202 Uiso 1 1 calc R . .
C6 C 0.4907(9) 0.2529(7) 0.5459(7) 0.086(3) Uani 1 1 d U . .
H6A H 0.4621 0.3117 0.5624 0.128 Uiso 1 1 calc R A .
H6B H 0.4624 0.2546 0.4937 0.128 Uiso 1 1 calc R . .
H6C H 0.5718 0.2539 0.5284 0.128 Uiso 1 1 calc R . .
C7 C 0.8000(9) 0.0883(10) 0.5914(10) 0.130(5) Uani 1 1 d . . .
H7A H 0.8798 0.0699 0.5843 0.156 Uiso 1 1 calc R A .
H7B H 0.7933 0.1617 0.5771 0.156 Uiso 1 1 calc R . .
C8 C 0.7467(10) 0.0403(10) 0.6854(8) 0.103(4) Uani 1 1 d U A .
H8A H 0.7740 -0.0304 0.7055 0.123 Uiso 1 1 calc R . .
H8B H 0.7707 0.0727 0.7220 0.123 Uiso 1 1 calc R . .
C9 C 0.5841(8) -0.1370(6) 0.7905(5) 0.065(2) Uani 1 1 d . . .
H9A H 0.5492 -0.1852 0.8520 0.077 Uiso 1 1 calc R A .
H9B H 0.6611 -0.1612 0.7736 0.077 Uiso 1 1 calc R . .
C10 C 0.5877(11) -0.0425(8) 0.7986(7) 0.095(4) Uani 1 1 d . A .
H10A H 0.6350 -0.0492 0.8416 0.114 Uiso 1 1 calc R . .
H10B H 0.5121 -0.0232 0.8260 0.114 Uiso 1 1 calc R . .
C11 C 0.4759(11) 0.1654(8) 0.7064(7) 0.106(4) Uani 1 1 d . . .
H11A H 0.4210 0.1223 0.7592 0.127 Uiso 1 1 calc R A .
H11B H 0.4625 0.2348 0.7059 0.127 Uiso 1 1 calc R . .
C12 C 0.5874(8) 0.1320(7) 0.7228(6) 0.069(2) Uani 1 1 d . A .
H12A H 0.6395 0.1864 0.6817 0.082 Uiso 1 1 calc R . .
H12B H 0.5859 0.1235 0.7873 0.082 Uiso 1 1 calc R . .
F1A F 0.0695(10) -0.0142(8) 0.7471(8) 0.072(3) Uani 0.50 1 d PU . .
F1B F 0.0252(9) -0.0532(8) 0.7729(7) 0.061(3) Uani 0.50 1 d PU . .
F2A F 0.1558(9) -0.0419(8) 0.8532(7) 0.049(2) Uani 0.50 1 d PU . .
F2B F 0.1624(11) -0.0173(9) 0.8094(9) 0.069(3) Uani 0.50 1 d PU . .
F3A F 0.0105(11) -0.1251(10) 0.8825(10) 0.076(4) Uani 0.50 1 d PU . .
F3B F 0.0444(11) -0.1279(10) 0.9097(8) 0.072(4) Uani 0.50 1 d PU . .
F4 F -0.3686(3) 0.0479(3) 0.9481(3) 0.0561(11) Uani 1 1 d . . .
F5 F -0.3607(4) 0.1503(4) 1.0140(3) 0.0699(13) Uani 1 1 d . . .
F6 F -0.3118(4) -0.0053(4) 1.0720(3) 0.0646(12) Uani 1 1 d . . .
F7 F 0.1572(5) 0.3229(5) 0.4717(4) 0.0952(17) Uani 1 1 d U . .
F8 F 0.0409(6) 0.2130(4) 0.5149(5) 0.128(3) Uani 1 1 d . . .
F9 F 0.0238(7) 0.3449(6) 0.4118(5) 0.148(3) Uani 1 1 d . . .
F10 F -0.3653(5) 0.3971(5) 0.6362(5) 0.130(2) Uani 1 1 d U . .
F11 F -0.2963(5) 0.5297(4) 0.5256(5) 0.0962(19) Uani 1 1 d . . .
F12 F -0.3311(4) 0.5251(5) 0.6631(5) 0.105(2) Uani 1 1 d . . .
F13 F 0.2887(3) 0.1726(3) 1.0063(3) 0.0566(11) Uani 1 1 d . . .
F14 F 0.4418(4) 0.1999(4) 0.9061(3) 0.0827(16) Uani 1 1 d . . .
F15 F 0.3796(4) 0.2998(3) 0.9785(3) 0.0746(15) Uani 1 1 d . . .
F16 F 0.4325(3) 0.5044(3) 0.5826(3) 0.0536(10) Uani 1 1 d . . .
F17 F 0.4111(3) 0.5824(3) 0.6750(3) 0.0580(11) Uani 1 1 d . . .
F18 F 0.2889(3) 0.5986(3) 0.5975(3) 0.0578(11) Uani 1 1 d . . .
F19 F -0.1584(7) 0.2854(6) 1.1566(4) 0.132(3) Uani 1 1 d . . .
F20 F -0.1559(5) 0.4316(5) 1.1640(4) 0.111(2) Uani 1 1 d U . .
F21 F -0.2948(5) 0.3844(5) 1.1394(4) 0.1039(19) Uani 1 1 d U . .
F22 F -0.0409(7) 0.7170(4) 0.7565(5) 0.120(2) Uani 1 1 d . . .
F23 F -0.1301(7) 0.7320(5) 0.8803(6) 0.161(3) Uani 1 1 d U . .
F24 F -0.1951(9) 0.7059(7) 0.7657(8) 0.196(4) Uani 1 1 d U . .
B1 B -0.0019(6) 0.3338(5) 0.8092(6) 0.0380(17) Uani 1 1 d . . .
C13 C -0.0419(5) 0.2172(4) 0.8572(4) 0.0336(13) Uani 1 1 d . . .
C14 C 0.0233(5) 0.1393(5) 0.8393(4) 0.0350(14) Uani 1 1 d . . .
H14 H 0.0983 0.1518 0.8065 0.042 Uiso 1 1 calc R . .
C15 C -0.0168(5) 0.0425(4) 0.8675(4) 0.0359(14) Uani 1 1 d . . .
C16 C -0.1229(5) 0.0209(5) 0.9178(4) 0.0371(14) Uani 1 1 d . . .
H16 H -0.1500 -0.0449 0.9383 0.045 Uiso 1 1 calc R . .
C17 C -0.1902(5) 0.0966(5) 0.9384(4) 0.0379(15) Uani 1 1 d . . .
C18 C -0.1515(5) 0.1927(5) 0.9081(4) 0.0366(14) Uani 1 1 d . . .
H18 H -0.2000 0.2437 0.9218 0.044 Uiso 1 1 calc R . .
C19 C 0.0543(6) -0.0351(5) 0.8387(5) 0.0470(17) Uani 1 1 d . . .
C20 C -0.3069(6) 0.0731(6) 0.9930(5) 0.0493(18) Uani 1 1 d . . .
C21 C -0.0369(5) 0.3680(4) 0.7089(5) 0.0396(15) Uani 1 1 d . . .
C22 C 0.0244(6) 0.3382(4) 0.6384(5) 0.0408(16) Uani 1 1 d . . .
H22 H 0.0957 0.3086 0.6430 0.049 Uiso 1 1 calc R . .
C23 C -0.0132(6) 0.3492(5) 0.5608(5) 0.0499(18) Uani 1 1 d . . .
C24 C -0.1161(7) 0.3930(5) 0.5519(6) 0.059(2) Uani 1 1 d . . .
H24 H -0.1431 0.4001 0.4995 0.071 Uiso 1 1 calc R . .
C25 C -0.1793(6) 0.4263(6) 0.6199(7) 0.061(2) Uani 1 1 d . . .
C26 C -0.1408(6) 0.4123(5) 0.6981(6) 0.0521(19) Uani 1 1 d . . .
H26 H -0.1864 0.4334 0.7455 0.063 Uiso 1 1 calc R . .
C27 C 0.0525(7) 0.3084(6) 0.4915(6) 0.059(2) Uani 1 1 d . . .
C28 C -0.2911(8) 0.4711(8) 0.6123(10) 0.090(4) Uani 1 1 d . . .
C29 C 0.1305(5) 0.3444(4) 0.7968(4) 0.0332(13) Uani 1 1 d . . .
C30 C 0.1859(5) 0.2872(4) 0.8648(4) 0.0356(14) Uani 1 1 d . . .
H30 H 0.1487 0.2330 0.9158 0.043 Uiso 1 1 calc R . .
C31 C 0.2937(5) 0.3064(4) 0.8613(4) 0.0342(14) Uani 1 1 d . . .
C32 C 0.3501(5) 0.3856(5) 0.7897(4) 0.0352(14) Uani 1 1 d . . .
H32 H 0.4233 0.3995 0.7877 0.042 Uiso 1 1 calc R . .
C33 C 0.2970(5) 0.4444(4) 0.7208(4) 0.0326(13) Uani 1 1 d . . .
C34 C 0.1903(5) 0.4240(4) 0.7238(4) 0.0331(13) Uani 1 1 d . . .
H34 H 0.1564 0.4649 0.6752 0.040 Uiso 1 1 calc R . .
C35 C 0.3493(6) 0.2449(5) 0.9373(5) 0.0446(16) Uani 1 1 d . . .
C36 C 0.3561(5) 0.5319(5) 0.6445(5) 0.0398(15) Uani 1 1 d . . .
C37 C -0.0607(5) 0.4031(5) 0.8696(6) 0.0444(17) Uani 1 1 d . . .
C38 C -0.0953(5) 0.3657(6) 0.9653(6) 0.052(2) Uani 1 1 d . . .
H38 H -0.0889 0.2954 0.9974 0.063 Uiso 1 1 calc R . .
C39 C -0.1393(6) 0.4271(7) 1.0164(7) 0.065(2) Uani 1 1 d . . .
C40 C -0.1497(7) 0.5268(7) 0.9764(7) 0.070(2) Uani 1 1 d U . .
H40 H -0.1804 0.5677 1.0118 0.084 Uiso 1 1 calc R . .
C41 C -0.1144(6) 0.5674(6) 0.8821(9) 0.079(3) Uani 1 1 d D . .
C42 C -0.0701(5) 0.5069(5) 0.8277(7) 0.061(2) Uani 1 1 d . . .
H42 H -0.0468 0.5376 0.7624 0.073 Uiso 1 1 calc R . .
C43 C -0.1842(8) 0.3819(10) 1.1180(9) 0.092(4) Uani 1 1 d . . .
C44 C -0.1386(15) 0.6802(11) 0.8347(12) 0.139(5) Uani 1 1 d DU . .
O1 O 0.4768(13) 0.4437(11) 0.0498(11) 0.106(5) Uiso 0.50 1 d PD B -1
C45 C 0.609(2) 0.3945(19) -0.0592(17) 0.115(9) Uiso 0.50 1 d PD B -1
H45A H 0.6854 0.3893 -0.0526 0.173 Uiso 0.50 1 calc PR B -1
H45B H 0.6087 0.4102 -0.1241 0.173 Uiso 0.50 1 calc PR B -1
H45C H 0.5722 0.3306 -0.0211 0.173 Uiso 0.50 1 calc PR B -1
C46 C 0.549(2) 0.4752(16) -0.0285(14) 0.114(8) Uiso 0.50 1 d PD B -1
H46A H 0.6039 0.5159 -0.0229 0.136 Uiso 0.50 1 calc PR B -1
H46B H 0.5110 0.5198 -0.0766 0.136 Uiso 0.50 1 calc PR B -1
C47 C 0.457(2) 0.4957(19) 0.1091(14) 0.131(9) Uiso 0.50 1 d PD B -1
H47A H 0.4421 0.4453 0.1727 0.157 Uiso 0.50 1 calc PR B -1
H47B H 0.5276 0.5276 0.0999 0.157 Uiso 0.50 1 calc PR B -1
C48 C 0.377(2) 0.5675(19) 0.1065(18) 0.124(10) Uiso 0.50 1 d PD B -1
H48A H 0.3916 0.6115 0.1362 0.186 Uiso 0.50 1 calc PR B -1
H48B H 0.3051 0.5358 0.1394 0.186 Uiso 0.50 1 calc PR B -1
H48C H 0.3749 0.6072 0.0421 0.186 Uiso 0.50 1 calc PR B -1


_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
Gd1 N1 2.514(7) . ?
Gd1 N2 2.539(6) . ?
Gd1 N3 2.581(5) . ?
Gd1 N4 2.616(6) . ?
Gd1 C1A 2.76(3) . ?
Gd1 Gd1 3.4140(6) 2_656 ?
Gd1 H1 2.11(2) . ?
Gd1 H2 2.10(2) . ?
Gd1 H3 2.11(2) . ?
N1 C2 1.448(13) . ?
N1 C1A 1.49(2) . ?
N1 C1B 1.520(18) . ?
N1 C7 1.555(14) . ?
N2 C3 1.438(12) . ?
N2 C9 1.468(9) . ?
N2 C4 1.522(12) . ?
N3 C6 1.425(10) . ?
N3 C11 1.429(10) . ?
N3 C5 1.482(12) . ?
N4 C8 1.397(13) . ?
N4 C12 1.451(10) . ?
N4 C10 1.498(12) . ?
C1A H1A 0.9900 . ?
C1A H1B 0.9900 . ?
C1B H1C 0.9800 . ?
C1B H1D 0.9800 . ?
C1B H1E 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.416(16) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.419(12) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.476(14) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
F1A F1B 0.758(13) . ?
F1A C19 1.350(13) . ?
F1A F2B 1.702(18) . ?
F1B C19 1.318(11) . ?
F1B F3A 1.645(17) . ?
F2A F2B 0.645(13) . ?
F2A C19 1.334(13) . ?
F2B C19 1.334(14) . ?
F3A F3B 0.670(16) . ?
F3A C19 1.323(14) . ?
F3B C19 1.384(14) . ?
F4 C20 1.337(7) . ?
F5 C20 1.337(8) . ?
F6 C20 1.334(8) . ?
F7 C27 1.289(9) . ?
F8 C27 1.292(9) . ?
F9 C27 1.312(9) . ?
F10 C28 1.370(10) . ?
F11 C28 1.342(13) . ?
F12 C28 1.302(13) . ?
F13 C35 1.330(8) . ?
F14 C35 1.333(8) . ?
F15 C35 1.338(7) . ?
F16 C36 1.332(7) . ?
F17 C36 1.338(7) . ?
F18 C36 1.337(7) . ?
F19 C43 1.327(13) . ?
F20 C43 1.328(9) . ?
F21 C43 1.335(10) . ?
F22 C44 1.486(17) . ?
F23 C44 1.251(15) . ?
F24 C44 1.376(16) . ?
B1 C37 1.630(9) . ?
B1 C29 1.634(9) . ?
B1 C13 1.636(9) . ?
B1 C21 1.655(10) . ?
C13 C14 1.382(8) . ?
C13 C18 1.411(8) . ?
C14 C15 1.401(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.366(9) . ?
C15 C19 1.480(9) . ?
C16 C17 1.384(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.381(8) . ?
C17 C20 1.500(9) . ?
C18 H18 0.9500 . ?
C21 C22 1.376(9) . ?
C21 C26 1.401(9) . ?
C22 C23 1.389(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.382(10) . ?
C23 C27 1.471(11) . ?
C24 C25 1.381(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.393(11) . ?
C25 C28 1.483(12) . ?
C26 H26 0.9500 . ?
C29 C30 1.388(9) . ?
C29 C34 1.407(8) . ?
C30 C31 1.389(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.379(8) . ?
C31 C35 1.493(9) . ?
C32 C33 1.385(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.384(8) . ?
C33 C36 1.490(9) . ?
C34 H34 0.9500 . ?
C37 C38 1.389(11) . ?
C37 C42 1.391(10) . ?
C38 C39 1.397(9) . ?
C38 H38 0.9500 . ?
C39 C40 1.338(12) . ?
C39 C43 1.488(14) . ?
C40 C41 1.370(13) . ?
C40 H40 0.9500 . ?
C41 C42 1.428(11) . ?
C41 C44 1.540(14) . ?
C42 H42 0.9500 . ?
O1 C46 1.299(15) . ?
O1 C47 1.377(16) . ?
C45 C46 1.477(18) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.352(18) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?

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
N1 Gd1 N2 113.7(3) . . ?
N1 Gd1 N3 105.5(2) . . ?
N2 Gd1 N3 106.8(2) . . ?
N1 Gd1 N4 70.8(2) . . ?
N2 Gd1 N4 69.5(2) . . ?
N3 Gd1 N4 68.92(19) . . ?
N1 Gd1 C1A 32.3(4) . . ?
N2 Gd1 C1A 88.8(4) . . ?
N3 Gd1 C1A 135.1(4) . . ?
N4 Gd1 C1A 78.4(4) . . ?
N1 Gd1 Gd1 114.47(19) . 2_656 ?
N2 Gd1 Gd1 107.62(14) . 2_656 ?
N3 Gd1 Gd1 108.40(13) . 2_656 ?
N4 Gd1 Gd1 174.73(16) . 2_656 ?
C1A Gd1 Gd1 106.2(4) . 2_656 ?
N1 Gd1 H1 103(4) . . ?
N2 Gd1 H1 136(4) . . ?
N3 Gd1 H1 85(4) . . ?
N4 Gd1 H1 149(4) . . ?
C1A Gd1 H1 113(4) . . ?
Gd1 Gd1 H1 31(4) 2_656 . ?
N1 Gd1 H2 132(3) . . ?
N2 Gd1 H2 77(4) . . ?
N3 Gd1 H2 116(4) . . ?
N4 Gd1 H2 146(4) . . ?
C1A Gd1 H2 109(4) . . ?
Gd1 Gd1 H2 31(4) 2_656 . ?
H1 Gd1 H2 60(4) . . ?
N1 Gd1 H3 77(3) . . ?
N2 Gd1 H3 105(3) . . ?
N3 Gd1 H3 143(3) . . ?
N4 Gd1 H3 140(3) . . ?
C1A Gd1 H3 62(3) . . ?
Gd1 Gd1 H3 44(3) 2_656 . ?
H1 Gd1 H3 60(5) . . ?
H2 Gd1 H3 56(5) . . ?
C2 N1 C1A 127.6(11) . . ?
C2 N1 C1B 98.6(14) . . ?
C2 N1 C7 110.2(8) . . ?
C1A N1 C7 105.2(11) . . ?
C1B N1 C7 115.4(15) . . ?
C2 N1 Gd1 117.9(7) . . ?
C1A N1 Gd1 82.9(10) . . ?
C1B N1 Gd1 104.5(13) . . ?
C7 N1 Gd1 109.9(6) . . ?
C3 N2 C9 111.4(7) . . ?
C3 N2 C4 104.0(8) . . ?
C9 N2 C4 107.9(7) . . ?
C3 N2 Gd1 115.4(6) . . ?
C9 N2 Gd1 111.3(5) . . ?
C4 N2 Gd1 106.2(5) . . ?
C6 N3 C11 112.3(7) . . ?
C6 N3 C5 104.8(8) . . ?
C11 N3 C5 107.4(9) . . ?
C6 N3 Gd1 106.1(5) . . ?
C11 N3 Gd1 112.6(5) . . ?
C5 N3 Gd1 113.5(5) . . ?
C8 N4 C12 109.9(7) . . ?
C8 N4 C10 111.7(8) . . ?
C12 N4 C10 105.0(7) . . ?
C8 N4 Gd1 109.8(6) . . ?
C12 N4 Gd1 111.1(4) . . ?
C10 N4 Gd1 109.2(5) . . ?
N1 C1A Gd1 64.7(9) . . ?
N1 C1A H1A 117.3 . . ?
Gd1 C1A H1A 117.3 . . ?
N1 C1A H1B 117.3 . . ?
Gd1 C1A H1B 117.3 . . ?
H1A C1A H1B 114.3 . . ?
N1 C1B H1C 109.5 . . ?
N1 C1B H1D 109.5 . . ?
H1C C1B H1D 109.5 . . ?
N1 C1B H1E 109.5 . . ?
H1C C1B H1E 109.5 . . ?
H1D C1B H1E 109.5 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C3 H3A 109.5 . . ?
N2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N2 C4 H4A 109.5 . . ?
N2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N3 C5 H5A 109.5 . . ?
N3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N3 C6 H6A 109.5 . . ?
N3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 N1 117.6(8) . . ?
C8 C7 H7A 107.9 . . ?
N1 C7 H7A 107.9 . . ?
C8 C7 H7B 107.9 . . ?
N1 C7 H7B 107.9 . . ?
H7A C7 H7B 107.2 . . ?
N4 C8 C7 117.9(10) . . ?
N4 C8 H8A 107.8 . . ?
C7 C8 H8A 107.8 . . ?
N4 C8 H8B 107.8 . . ?
C7 C8 H8B 107.8 . . ?
H8A C8 H8B 107.2 . . ?
C10 C9 N2 116.6(7) . . ?
C10 C9 H9A 108.1 . . ?
N2 C9 H9A 108.1 . . ?
C10 C9 H9B 108.1 . . ?
N2 C9 H9B 108.1 . . ?
H9A C9 H9B 107.3 . . ?
C9 C10 N4 113.7(8) . . ?
C9 C10 H10A 108.8 . . ?
N4 C10 H10A 108.8 . . ?
C9 C10 H10B 108.8 . . ?
N4 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
N3 C11 C12 116.4(9) . . ?
N3 C11 H11A 108.2 . . ?
C12 C11 H11A 108.2 . . ?
N3 C11 H11B 108.2 . . ?
C12 C11 H11B 108.2 . . ?
H11A C11 H11B 107.4 . . ?
N4 C12 C11 116.5(7) . . ?
N4 C12 H12A 108.2 . . ?
C11 C12 H12A 108.2 . . ?
N4 C12 H12B 108.2 . . ?
C11 C12 H12B 108.2 . . ?
H12A C12 H12B 107.3 . . ?
F1B F1A C19 71.2(13) . . ?
F1B F1A F2B 113.5(16) . . ?
C19 F1A F2B 50.2(6) . . ?
F1A F1B C19 75.8(13) . . ?
F1A F1B F3A 123.5(16) . . ?
C19 F1B F3A 51.6(6) . . ?
F2B F2A C19 76.0(18) . . ?
F2A F2B C19 76.0(18) . . ?
F2A F2B F1A 124(2) . . ?
C19 F2B F1A 51.1(7) . . ?
F3B F3A C19 80.7(19) . . ?
F3B F3A F1B 126(2) . . ?
C19 F3A F1B 51.3(7) . . ?
F3A F3B C19 70.7(18) . . ?
C37 B1 C29 104.1(5) . . ?
C37 B1 C13 113.4(6) . . ?
C29 B1 C13 113.1(5) . . ?
C37 B1 C21 113.3(6) . . ?
C29 B1 C21 112.4(6) . . ?
C13 B1 C21 101.0(4) . . ?
C14 C13 C18 115.7(5) . . ?
C14 C13 B1 122.2(5) . . ?
C18 C13 B1 121.4(5) . . ?
C13 C14 C15 122.5(6) . . ?
C13 C14 H14 118.7 . . ?
C15 C14 H14 118.7 . . ?
C16 C15 C14 120.2(6) . . ?
C16 C15 C19 120.0(5) . . ?
C14 C15 C19 119.7(6) . . ?
C15 C16 C17 118.9(5) . . ?
C15 C16 H16 120.6 . . ?
C17 C16 H16 120.6 . . ?
C18 C17 C16 120.8(6) . . ?
C18 C17 C20 120.4(6) . . ?
C16 C17 C20 118.8(6) . . ?
C17 C18 C13 121.8(6) . . ?
C17 C18 H18 119.1 . . ?
C13 C18 H18 119.1 . . ?
F3A C19 F2A 107.6(9) . . ?
F1B C19 F2B 106.2(9) . . ?
F3A C19 F1A 107.6(9) . . ?
F2A C19 F1A 105.2(9) . . ?
F1B C19 F3B 102.8(8) . . ?
F2B C19 F3B 105.8(9) . . ?
F1B C19 C15 113.0(7) . . ?
F3A C19 C15 111.6(8) . . ?
F2A C19 C15 113.2(7) . . ?
F2B C19 C15 116.2(7) . . ?
F1A C19 C15 111.3(7) . . ?
F3B C19 C15 111.6(8) . . ?
F6 C20 F5 107.5(6) . . ?
F6 C20 F4 105.0(5) . . ?
F5 C20 F4 105.7(6) . . ?
F6 C20 C17 112.2(6) . . ?
F5 C20 C17 113.0(6) . . ?
F4 C20 C17 112.8(5) . . ?
C22 C21 C26 116.2(6) . . ?
C22 C21 B1 121.8(6) . . ?
C26 C21 B1 120.9(6) . . ?
C21 C22 C23 123.0(6) . . ?
C21 C22 H22 118.5 . . ?
C23 C22 H22 118.5 . . ?
C24 C23 C22 119.6(8) . . ?
C24 C23 C27 119.9(7) . . ?
C22 C23 C27 120.4(7) . . ?
C25 C24 C23 119.4(7) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C26 119.9(7) . . ?
C24 C25 C28 119.8(9) . . ?
C26 C25 C28 120.2(10) . . ?
C25 C26 C21 121.8(8) . . ?
C25 C26 H26 119.1 . . ?
C21 C26 H26 119.1 . . ?
F7 C27 F8 106.7(8) . . ?
F7 C27 F9 105.3(8) . . ?
F8 C27 F9 102.1(7) . . ?
F7 C27 C23 114.2(6) . . ?
F8 C27 C23 113.4(7) . . ?
F9 C27 C23 114.1(7) . . ?
F12 C28 F11 106.2(8) . . ?
F12 C28 F10 107.1(11) . . ?
F11 C28 F10 104.3(8) . . ?
F12 C28 C25 115.1(9) . . ?
F11 C28 C25 113.2(10) . . ?
F10 C28 C25 110.2(8) . . ?
C30 C29 C34 115.7(5) . . ?
C30 C29 B1 122.1(6) . . ?
C34 C29 B1 121.3(6) . . ?
C29 C30 C31 122.4(6) . . ?
C29 C30 H30 118.8 . . ?
C31 C30 H30 118.8 . . ?
C32 C31 C30 120.8(6) . . ?
C32 C31 C35 118.3(5) . . ?
C30 C31 C35 120.8(6) . . ?
C31 C32 C33 118.2(5) . . ?
C31 C32 H32 120.9 . . ?
C33 C32 H32 120.9 . . ?
C34 C33 C32 120.8(6) . . ?
C34 C33 C36 120.6(6) . . ?
C32 C33 C36 118.6(5) . . ?
C33 C34 C29 122.1(6) . . ?
C33 C34 H34 118.9 . . ?
C29 C34 H34 118.9 . . ?
F13 C35 F14 106.1(6) . . ?
F13 C35 F15 104.3(6) . . ?
F14 C35 F15 105.8(6) . . ?
F13 C35 C31 115.4(5) . . ?
F14 C35 C31 111.7(6) . . ?
F15 C35 C31 112.8(6) . . ?
F16 C36 F18 106.4(5) . . ?
F16 C36 F17 105.1(5) . . ?
F18 C36 F17 106.6(5) . . ?
F16 C36 C33 112.4(5) . . ?
F18 C36 C33 113.3(5) . . ?
F17 C36 C33 112.4(5) . . ?
C38 C37 C42 115.3(7) . . ?
C38 C37 B1 123.5(6) . . ?
C42 C37 B1 121.0(7) . . ?
C37 C38 C39 122.7(8) . . ?
C37 C38 H38 118.6 . . ?
C39 C38 H38 118.6 . . ?
C40 C39 C38 122.1(10) . . ?
C40 C39 C43 117.4(8) . . ?
C38 C39 C43 120.3(9) . . ?
C39 C40 C41 117.3(8) . . ?
C39 C40 H40 121.4 . . ?
C41 C40 H40 121.4 . . ?
C40 C41 C42 122.1(8) . . ?
C40 C41 C44 117.4(10) . . ?
C42 C41 C44 120.0(11) . . ?
C37 C42 C41 120.4(9) . . ?
C37 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
F19 C43 F20 108.2(10) . . ?
F19 C43 F21 103.7(10) . . ?
F20 C43 F21 104.8(7) . . ?
F19 C43 C39 115.2(7) . . ?
F20 C43 C39 112.7(9) . . ?
F21 C43 C39 111.5(9) . . ?
F23 C44 F24 126.9(15) . . ?
F23 C44 F22 99.0(11) . . ?
F24 C44 F22 84.0(11) . . ?
F23 C44 C41 113.4(12) . . ?
F24 C44 C41 116.7(12) . . ?
F22 C44 C41 105.2(12) . . ?
C46 O1 C47 120.2(17) . . ?
C46 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C46 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O1 C46 C45 114.4(18) . . ?
O1 C46 H46A 108.7 . . ?
C45 C46 H46A 108.7 . . ?
O1 C46 H46B 108.7 . . ?
C45 C46 H46B 108.7 . . ?
H46A C46 H46B 107.6 . . ?
C48 C47 O1 121.5(19) . . ?
C48 C47 H47A 106.9 . . ?
O1 C47 H47A 106.9 . . ?
C48 C47 H47B 106.9 . . ?
O1 C47 H47B 106.9 . . ?
H47A C47 H47B 106.7 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 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
N2 Gd1 N1 C2 171.7(7) . . . . ?
N3 Gd1 N1 C2 -71.6(8) . . . . ?
N4 Gd1 N1 C2 -132.1(8) . . . . ?
C1A Gd1 N1 C2 129.0(12) . . . . ?
Gd1 Gd1 N1 C2 47.5(8) 2_656 . . . ?
N2 Gd1 N1 C1A 42.7(8) . . . . ?
N3 Gd1 N1 C1A 159.4(8) . . . . ?
N4 Gd1 N1 C1A 98.9(8) . . . . ?
Gd1 Gd1 N1 C1A -81.5(8) 2_656 . . . ?
N2 Gd1 N1 C1B 63.6(14) . . . . ?
N3 Gd1 N1 C1B -179.7(14) . . . . ?
N4 Gd1 N1 C1B 119.7(14) . . . . ?
C1A Gd1 N1 C1B 20.8(16) . . . . ?
Gd1 Gd1 N1 C1B -60.7(14) 2_656 . . . ?
N2 Gd1 N1 C7 -60.9(7) . . . . ?
N3 Gd1 N1 C7 55.8(7) . . . . ?
N4 Gd1 N1 C7 -4.7(6) . . . . ?
C1A Gd1 N1 C7 -103.6(11) . . . . ?
Gd1 Gd1 N1 C7 174.9(6) 2_656 . . . ?
N1 Gd1 N2 C3 -82.9(7) . . . . ?
N3 Gd1 N2 C3 161.2(7) . . . . ?
N4 Gd1 N2 C3 -139.7(8) . . . . ?
C1A Gd1 N2 C3 -61.6(8) . . . . ?
Gd1 Gd1 N2 C3 45.0(7) 2_656 . . . ?
N1 Gd1 N2 C9 45.3(6) . . . . ?
N3 Gd1 N2 C9 -70.6(6) . . . . ?
N4 Gd1 N2 C9 -11.5(5) . . . . ?
C1A Gd1 N2 C9 66.6(7) . . . . ?
Gd1 Gd1 N2 C9 173.2(5) 2_656 . . . ?
N1 Gd1 N2 C4 162.5(5) . . . . ?
N3 Gd1 N2 C4 46.6(6) . . . . ?
N4 Gd1 N2 C4 105.7(6) . . . . ?
C1A Gd1 N2 C4 -176.2(7) . . . . ?
Gd1 Gd1 N2 C4 -69.6(5) 2_656 . . . ?
N1 Gd1 N3 C6 49.1(6) . . . . ?
N2 Gd1 N3 C6 170.4(5) . . . . ?
N4 Gd1 N3 C6 110.9(6) . . . . ?
C1A Gd1 N3 C6 64.5(8) . . . . ?
Gd1 Gd1 N3 C6 -73.9(6) 2_656 . . . ?
N1 Gd1 N3 C11 -74.1(7) . . . . ?
N2 Gd1 N3 C11 47.2(7) . . . . ?
N4 Gd1 N3 C11 -12.3(7) . . . . ?
C1A Gd1 N3 C11 -58.7(9) . . . . ?
Gd1 Gd1 N3 C11 162.9(7) 2_656 . . . ?
N1 Gd1 N3 C5 163.6(7) . . . . ?
N2 Gd1 N3 C5 -75.1(7) . . . . ?
N4 Gd1 N3 C5 -134.6(7) . . . . ?
C1A Gd1 N3 C5 179.1(9) . . . . ?
Gd1 Gd1 N3 C5 40.6(7) 2_656 . . . ?
N1 Gd1 N4 C8 -15.7(7) . . . . ?
N2 Gd1 N4 C8 110.1(7) . . . . ?
N3 Gd1 N4 C8 -131.6(7) . . . . ?
C1A Gd1 N4 C8 17.0(7) . . . . ?
N1 Gd1 N4 C12 106.1(6) . . . . ?
N2 Gd1 N4 C12 -128.2(6) . . . . ?
N3 Gd1 N4 C12 -9.8(5) . . . . ?
C1A Gd1 N4 C12 138.7(7) . . . . ?
N1 Gd1 N4 C10 -138.5(6) . . . . ?
N2 Gd1 N4 C10 -12.8(6) . . . . ?
N3 Gd1 N4 C10 105.6(6) . . . . ?
C1A Gd1 N4 C10 -105.8(7) . . . . ?
C2 N1 C1A Gd1 -120.0(12) . . . . ?
C1B N1 C1A Gd1 -136(4) . . . . ?
C7 N1 C1A Gd1 108.8(7) . . . . ?
N2 Gd1 C1A N1 -141.6(7) . . . . ?
N3 Gd1 C1A N1 -28.7(11) . . . . ?
N4 Gd1 C1A N1 -72.2(7) . . . . ?
Gd1 Gd1 C1A N1 110.4(7) 2_656 . . . ?
C2 N1 C7 C8 158.1(12) . . . . ?
C1A N1 C7 C8 -61.3(16) . . . . ?
C1B N1 C7 C8 -91.4(19) . . . . ?
Gd1 N1 C7 C8 26.5(14) . . . . ?
C12 N4 C8 C7 -85.0(12) . . . . ?
C10 N4 C8 C7 158.9(11) . . . . ?
Gd1 N4 C8 C7 37.5(13) . . . . ?
N1 C7 C8 N4 -45.8(17) . . . . ?
C3 N2 C9 C10 168.9(10) . . . . ?
C4 N2 C9 C10 -77.7(11) . . . . ?
Gd1 N2 C9 C10 38.5(10) . . . . ?
N2 C9 C10 N4 -53.7(13) . . . . ?
C8 N4 C10 C9 -83.7(10) . . . . ?
C12 N4 C10 C9 157.1(8) . . . . ?
Gd1 N4 C10 C9 37.9(10) . . . . ?
C6 N3 C11 C12 -85.2(10) . . . . ?
C5 N3 C11 C12 160.0(9) . . . . ?
Gd1 N3 C11 C12 34.4(11) . . . . ?
C8 N4 C12 C11 153.5(9) . . . . ?
C10 N4 C12 C11 -86.2(10) . . . . ?
Gd1 N4 C12 C11 31.8(10) . . . . ?
N3 C11 C12 N4 -46.6(13) . . . . ?
F2B F1A F1B C19 27.8(11) . . . . ?
C19 F1A F1B F3A -20.7(14) . . . . ?
F2B F1A F1B F3A 7(2) . . . . ?
C19 F2A F2B F1A -17.7(17) . . . . ?
F1B F1A F2B F2A -13(3) . . . . ?
C19 F1A F2B F2A 22(2) . . . . ?
F1B F1A F2B C19 -35.0(15) . . . . ?
F1A F1B F3A F3B -6(4) . . . . ?
C19 F1B F3A F3B -32(3) . . . . ?
F1A F1B F3A C19 26.0(18) . . . . ?
F1B F3A F3B C19 25.0(19) . . . . ?
C37 B1 C13 C14 -154.8(6) . . . . ?
C29 B1 C13 C14 -36.6(8) . . . . ?
C21 B1 C13 C14 83.6(7) . . . . ?
C37 B1 C13 C18 35.0(8) . . . . ?
C29 B1 C13 C18 153.2(6) . . . . ?
C21 B1 C13 C18 -86.5(7) . . . . ?
C18 C13 C14 C15 1.5(9) . . . . ?
B1 C13 C14 C15 -169.1(6) . . . . ?
C13 C14 C15 C16 -2.5(9) . . . . ?
C13 C14 C15 C19 174.4(6) . . . . ?
C14 C15 C16 C17 1.4(9) . . . . ?
C19 C15 C16 C17 -175.5(6) . . . . ?
C15 C16 C17 C18 0.6(9) . . . . ?
C15 C16 C17 C20 179.5(6) . . . . ?
C16 C17 C18 C13 -1.6(9) . . . . ?
C20 C17 C18 C13 179.5(6) . . . . ?
C14 C13 C18 C17 0.5(9) . . . . ?
B1 C13 C18 C17 171.3(6) . . . . ?
F1A F1B C19 F3A -157.9(16) . . . . ?
F1A F1B C19 F2A -55.5(17) . . . . ?
F3A F1B C19 F2A 102.4(12) . . . . ?
F1A F1B C19 F2B -34.6(15) . . . . ?
F3A F1B C19 F2B 123.3(10) . . . . ?
F3A F1B C19 F1A 157.9(16) . . . . ?
F1A F1B C19 F3B -145.6(15) . . . . ?
F3A F1B C19 F3B 12.3(10) . . . . ?
F1A F1B C19 C15 93.9(14) . . . . ?
F3A F1B C19 C15 -108.2(9) . . . . ?
F3B F3A C19 F1B 154(2) . . . . ?
F3B F3A C19 F2A 29(2) . . . . ?
F1B F3A C19 F2A -125.4(9) . . . . ?
F3B F3A C19 F2B 53(2) . . . . ?
F1B F3A C19 F2B -100.9(12) . . . . ?
F3B F3A C19 F1A 141.8(19) . . . . ?
F1B F3A C19 F1A -12.4(9) . . . . ?
F1B F3A C19 F3B -154(2) . . . . ?
F3B F3A C19 C15 -96(2) . . . . ?
F1B F3A C19 C15 109.9(8) . . . . ?
F2B F2A C19 F1B 47(2) . . . . ?
F2B F2A C19 F3A 133.8(18) . . . . ?
F2B F2A C19 F1A 19.2(19) . . . . ?
F2B F2A C19 F3B 147.2(19) . . . . ?
F2B F2A C19 C15 -102.5(18) . . . . ?
F2A F2B C19 F1B -142.7(18) . . . . ?
F1A F2B C19 F1B 18.4(8) . . . . ?
F2A F2B C19 F3A -57(2) . . . . ?
F1A F2B C19 F3A 103.7(12) . . . . ?
F1A F2B C19 F2A 161.1(19) . . . . ?
F2A F2B C19 F1A -161.1(19) . . . . ?
F2A F2B C19 F3B -33.9(19) . . . . ?
F1A F2B C19 F3B 127.2(9) . . . . ?
F2A F2B C19 C15 90.6(18) . . . . ?
F1A F2B C19 C15 -108.3(9) . . . . ?
F2B F1A C19 F1B -146.2(15) . . . . ?
F1B F1A C19 F3A 22.6(16) . . . . ?
F2B F1A C19 F3A -123.6(10) . . . . ?
F1B F1A C19 F2A 137.2(14) . . . . ?
F2B F1A C19 F2A -9.1(9) . . . . ?
F1B F1A C19 F2B 146.2(15) . . . . ?
F1B F1A C19 F3B 44.9(18) . . . . ?
F2B F1A C19 F3B -101.4(13) . . . . ?
F1B F1A C19 C15 -99.9(14) . . . . ?
F2B F1A C19 C15 113.9(8) . . . . ?
F3A F3B C19 F1B -26(2) . . . . ?
F3A F3B C19 F2A -152(2) . . . . ?
F3A F3B C19 F2B -137(2) . . . . ?
F3A F3B C19 F1A -49(2) . . . . ?
F3A F3B C19 C15 96(2) . . . . ?
C16 C15 C19 F1B 71.9(10) . . . . ?
C14 C15 C19 F1B -105.0(9) . . . . ?
C16 C15 C19 F3A -12.6(11) . . . . ?
C14 C15 C19 F3A 170.4(8) . . . . ?
C16 C15 C19 F2A -134.2(8) . . . . ?
C14 C15 C19 F2A 48.9(10) . . . . ?
C16 C15 C19 F2B -164.8(8) . . . . ?
C14 C15 C19 F2B 18.2(11) . . . . ?
C16 C15 C19 F1A 107.6(9) . . . . ?
C14 C15 C19 F1A -69.4(10) . . . . ?
C16 C15 C19 F3B -43.4(10) . . . . ?
C14 C15 C19 F3B 139.7(8) . . . . ?
C18 C17 C20 F6 -127.4(6) . . . . ?
C16 C17 C20 F6 53.7(8) . . . . ?
C18 C17 C20 F5 -5.7(9) . . . . ?
C16 C17 C20 F5 175.5(6) . . . . ?
C18 C17 C20 F4 114.2(7) . . . . ?
C16 C17 C20 F4 -64.7(8) . . . . ?
C37 B1 C21 C22 162.2(5) . . . . ?
C29 B1 C21 C22 44.6(7) . . . . ?
C13 B1 C21 C22 -76.2(7) . . . . ?
C37 B1 C21 C26 -30.1(8) . . . . ?
C29 B1 C21 C26 -147.8(6) . . . . ?
C13 B1 C21 C26 91.5(6) . . . . ?
C26 C21 C22 C23 -0.8(9) . . . . ?
B1 C21 C22 C23 167.4(6) . . . . ?
C21 C22 C23 C24 0.7(10) . . . . ?
C21 C22 C23 C27 -175.0(6) . . . . ?
C22 C23 C24 C25 0.9(10) . . . . ?
C27 C23 C24 C25 176.6(7) . . . . ?
C23 C24 C25 C26 -2.3(11) . . . . ?
C23 C24 C25 C28 -178.4(7) . . . . ?
C24 C25 C26 C21 2.3(11) . . . . ?
C28 C25 C26 C21 178.4(7) . . . . ?
C22 C21 C26 C25 -0.7(9) . . . . ?
B1 C21 C26 C25 -169.1(6) . . . . ?
C24 C23 C27 F7 142.0(7) . . . . ?
C22 C23 C27 F7 -42.3(10) . . . . ?
C24 C23 C27 F8 -95.6(9) . . . . ?
C22 C23 C27 F8 80.2(9) . . . . ?
C24 C23 C27 F9 20.8(11) . . . . ?
C22 C23 C27 F9 -163.5(7) . . . . ?
C24 C25 C28 F12 -161.4(9) . . . . ?
C26 C25 C28 F12 22.5(13) . . . . ?
C24 C25 C28 F11 -39.0(11) . . . . ?
C26 C25 C28 F11 144.9(8) . . . . ?
C24 C25 C28 F10 77.4(13) . . . . ?
C26 C25 C28 F10 -98.7(11) . . . . ?
C37 B1 C29 C30 82.3(7) . . . . ?
C13 B1 C29 C30 -41.2(8) . . . . ?
C21 B1 C29 C30 -154.8(5) . . . . ?
C37 B1 C29 C34 -86.4(7) . . . . ?
C13 B1 C29 C34 150.1(5) . . . . ?
C21 B1 C29 C34 36.5(8) . . . . ?
C34 C29 C30 C31 -0.5(9) . . . . ?
B1 C29 C30 C31 -169.8(5) . . . . ?
C29 C30 C31 C32 1.4(9) . . . . ?
C29 C30 C31 C35 178.3(6) . . . . ?
C30 C31 C32 C33 -1.1(9) . . . . ?
C35 C31 C32 C33 -178.0(5) . . . . ?
C31 C32 C33 C34 0.0(9) . . . . ?
C31 C32 C33 C36 178.3(5) . . . . ?
C32 C33 C34 C29 0.9(9) . . . . ?
C36 C33 C34 C29 -177.4(5) . . . . ?
C30 C29 C34 C33 -0.7(9) . . . . ?
B1 C29 C34 C33 168.7(5) . . . . ?
C32 C31 C35 F13 177.0(6) . . . . ?
C30 C31 C35 F13 0.1(9) . . . . ?
C32 C31 C35 F14 -61.8(8) . . . . ?
C30 C31 C35 F14 121.3(7) . . . . ?
C32 C31 C35 F15 57.2(8) . . . . ?
C30 C31 C35 F15 -119.7(6) . . . . ?
C34 C33 C36 F16 -104.5(6) . . . . ?
C32 C33 C36 F16 77.1(7) . . . . ?
C34 C33 C36 F18 16.2(8) . . . . ?
C32 C33 C36 F18 -162.2(5) . . . . ?
C34 C33 C36 F17 137.2(6) . . . . ?
C32 C33 C36 F17 -41.2(8) . . . . ?
C29 B1 C37 C38 -93.5(7) . . . . ?
C13 B1 C37 C38 29.8(8) . . . . ?
C21 B1 C37 C38 144.1(6) . . . . ?
C29 B1 C37 C42 80.6(7) . . . . ?
C13 B1 C37 C42 -156.1(6) . . . . ?
C21 B1 C37 C42 -41.8(8) . . . . ?
C42 C37 C38 C39 1.5(9) . . . . ?
B1 C37 C38 C39 175.9(6) . . . . ?
C37 C38 C39 C40 -0.8(11) . . . . ?
C37 C38 C39 C43 174.6(7) . . . . ?
C38 C39 C40 C41 -0.6(12) . . . . ?
C43 C39 C40 C41 -176.1(7) . . . . ?
C39 C40 C41 C42 1.2(12) . . . . ?
C39 C40 C41 C44 173.1(9) . . . . ?
C38 C37 C42 C41 -0.9(9) . . . . ?
B1 C37 C42 C41 -175.5(6) . . . . ?
C40 C41 C42 C37 -0.4(11) . . . . ?
C44 C41 C42 C37 -172.1(9) . . . . ?
C40 C39 C43 F19 -170.9(8) . . . . ?
C38 C39 C43 F19 13.5(12) . . . . ?
C40 C39 C43 F20 -46.2(11) . . . . ?
C38 C39 C43 F20 138.3(8) . . . . ?
C40 C39 C43 F21 71.3(10) . . . . ?
C38 C39 C43 F21 -104.2(9) . . . . ?
C40 C41 C44 F23 37.2(17) . . . . ?
C42 C41 C44 F23 -150.7(11) . . . . ?
C40 C41 C44 F24 -124.8(14) . . . . ?
C42 C41 C44 F24 47.3(18) . . . . ?
C40 C41 C44 F22 144.4(9) . . . . ?
C42 C41 C44 F22 -43.6(13) . . . . ?
C47 O1 C46 C45 146(2) . . . . ?
C46 O1 C47 C48 92(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.911
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.473
_refine_diff_density_min         -1.298
_refine_diff_density_rms         0.133




data_av12
_database_code_depnum_ccdc_archive 'CCDC 901746'
#TrackingRef '14008_web_deposit_cif_file_0_RichardLayfield_1347877166.DyH av12.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H62 Dy2 N8, 2(C32 H12 B F24), 2(C4 H10 O)'

_chemical_formula_sum            'C96 H106 B2 Dy2 F48 N8 O2'
_chemical_formula_weight         2662.51

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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmmetry_space_group_name_Hall -P1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.8156(8)
_cell_length_b                   13.9466(8)
_cell_length_c                   17.2860(10)
_cell_angle_alpha                69.1184(8)
_cell_angle_beta                 70.1955(9)
_cell_angle_gamma                80.8857(9)
_cell_volume                     2713.4(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7434
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      23.43

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1328
_exptl_absorpt_coefficient_mu    1.499
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6966
_exptl_absorpt_correction_T_max  0.7149
_exptl_absorpt_process_details   'Platon Mulabs'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source         microsource
_diffrn_radiation_monochromator  multilayer
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            39311
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_av_sigmaI/netI    0.0910
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.58
_diffrn_reflns_theta_max         30.42
_reflns_number_total             15004
_reflns_number_gt                11344
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART (2001)'
_computing_cell_refinement       'Bruker SMART (2001)'
_computing_data_reduction        'Bruker SAINT+ (1999)'
_computing_structure_solution    'isotypic replacement (Lu-compound)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1999)'


_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0137P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15004
_refine_ls_number_parameters     898
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.0718
_refine_ls_wR_factor_gt          0.0675
_refine_ls_goodness_of_fit_ref   0.868
_refine_ls_restrained_S_all      0.898
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.522211(13) 0.092113(11) 0.532483(10) 0.02836(5) Uani 1 1 d D . .
H1 H 0.478(5) 0.048(4) 0.438(3) 0.034 Uiso 0.50 1 d PD . .
H2 H 0.619(4) -0.031(3) 0.483(4) 0.034 Uiso 0.50 1 d PD . .
H3 H 0.574(5) 0.030(4) 0.423(2) 0.034 Uiso 0.50 1 d PD . .
O1 O 0.8034(2) 0.62879(18) 0.87301(16) 0.0541(7) Uani 1 1 d . . .
N1 N 0.5923(2) 0.24934(19) 0.40459(18) 0.0397(7) Uani 1 1 d . C .
N2 N 0.3581(2) 0.1209(2) 0.6527(2) 0.0407(7) Uani 1 1 d . C .
N3 N 0.6769(2) 0.0246(2) 0.60035(18) 0.0353(7) Uani 1 1 d . C .
N4 N 0.5657(2) 0.2283(2) 0.58516(19) 0.0351(7) Uani 1 1 d . C .
F1 F 0.53042(18) 0.54623(17) 0.21900(16) 0.0755(8) Uani 1 1 d . . .
F2 F 0.63289(18) 0.5944(2) 0.08755(16) 0.0857(8) Uani 1 1 d . . .
F3 F 0.58697(16) 0.69676(16) 0.15972(15) 0.0587(6) Uani 1 1 d . . .
F4A F 0.2455(4) 0.6957(7) -0.0760(3) 0.0707(17) Uani 0.875(15) 1 d PU A -1
F5A F 0.4070(4) 0.6232(6) -0.0993(3) 0.0752(15) Uani 0.875(15) 1 d P A -1
F6A F 0.3878(6) 0.7856(4) -0.1346(2) 0.0756(19) Uani 0.875(15) 1 d P A -1
F4B F 0.262(3) 0.647(3) -0.061(2) 0.058(9) Uani 0.125(15) 1 d PU A -2
F5B F 0.4294(18) 0.678(3) -0.1219(14) 0.036(7) Uani 0.125(15) 1 d PU A -2
F6B F 0.317(4) 0.798(2) -0.1189(18) 0.067(9) Uani 0.125(15) 1 d PU A -2
F7 F 0.42226(16) 1.09903(16) 0.01090(12) 0.0540(6) Uani 1 1 d . . .
F8 F 0.47016(15) 1.02117(15) 0.12401(13) 0.0535(6) Uani 1 1 d . . .
F9 F 0.39754(17) 1.17253(15) 0.10536(14) 0.0610(6) Uani 1 1 d . . .
F10 F -0.08557(18) 1.14031(17) 0.20831(15) 0.0660(7) Uani 1 1 d . . .
F11 F -0.07186(18) 1.06347(15) 0.33495(13) 0.0636(7) Uani 1 1 d . . .
F12 F 0.00836(17) 1.20391(14) 0.25742(13) 0.0548(6) Uani 1 1 d . . .
F13 F -0.09194(17) 0.46295(13) 0.28242(13) 0.0500(6) Uani 1 1 d . . .
F14 F -0.24204(18) 0.54220(16) 0.32881(14) 0.0657(7) Uani 1 1 d . . .
F15 F -0.20302(18) 0.51749(13) 0.20690(13) 0.0541(6) Uani 1 1 d . . .
F16 F -0.14123(16) 0.99035(14) 0.05750(12) 0.0478(5) Uani 1 1 d . . .
F17 F -0.24240(18) 0.88462(17) 0.05479(15) 0.0808(8) Uani 1 1 d U . .
F18 F -0.0761(2) 0.90701(15) -0.03144(12) 0.0584(6) Uani 1 1 d . . .
F19 F 0.31288(15) 0.45480(13) 0.47637(12) 0.0446(5) Uani 1 1 d . . .
F20 F 0.15425(17) 0.38849(14) 0.54496(13) 0.0545(6) Uani 1 1 d . . .
F21 F 0.2344(2) 0.39750(13) 0.41168(13) 0.0576(6) Uani 1 1 d . . .
F22A F -0.0496(3) 0.6800(3) 0.6201(2) 0.0664(13) Uani 0.789(7) 1 d PU B -1
F23A F -0.1064(3) 0.7956(2) 0.52181(17) 0.0515(11) Uani 0.789(7) 1 d P B -1
F24A F 0.0414(4) 0.8183(5) 0.5420(3) 0.096(2) Uani 0.789(7) 1 d PU B -1
F22B F -0.0807(15) 0.7052(14) 0.6018(12) 0.073(6) Uani 0.211(7) 1 d PU B -2
F23B F -0.0256(16) 0.8421(11) 0.5073(7) 0.070(5) Uani 0.211(7) 1 d PU B -2
F24B F 0.0704(9) 0.7462(8) 0.5839(7) 0.037(3) Uani 0.211(7) 1 d P B -2
B1 B 0.1475(3) 0.7693(2) 0.2171(2) 0.0203(7) Uani 1 1 d . . .
C1A C 0.4869(14) 0.2557(12) 0.4107(10) 0.046(4) Uiso 0.280(3) 1 d P C -1
H1A H 0.4689 0.2446 0.3633 0.055 Uiso 0.280(3) 1 calc PR C -1
H1B H 0.4419 0.3125 0.4298 0.055 Uiso 0.280(3) 1 calc PR C -1
C1B C 0.4800(13) 0.2880(13) 0.3838(12) 0.035(4) Uiso 0.280(3) 1 d P C -1
H1C H 0.4850 0.3601 0.3466 0.052 Uiso 0.280(3) 1 calc PR C -1
H1D H 0.4196 0.2818 0.4382 0.052 Uiso 0.280(3) 1 calc PR C -1
H1E H 0.4653 0.2464 0.3537 0.052 Uiso 0.280(3) 1 calc PR C -1
C2A C 0.6735(7) 0.2404(7) 0.3168(5) 0.056(2) Uani 0.559(6) 1 d P C -1
H2A H 0.6774 0.3075 0.2713 0.084 Uiso 0.559(6) 1 calc PR C -1
H2B H 0.6467 0.1902 0.3009 0.084 Uiso 0.559(6) 1 calc PR C -1
H2C H 0.7475 0.2179 0.3230 0.084 Uiso 0.559(6) 1 calc PR C -1
C3A C 0.2509(6) 0.1308(7) 0.6316(5) 0.048(2) Uani 0.559(6) 1 d P C -1
H3A H 0.2390 0.0663 0.6258 0.071 Uiso 0.559(6) 1 calc PR C -1
H3B H 0.2553 0.1868 0.5769 0.071 Uiso 0.559(6) 1 calc PR C -1
H3C H 0.1891 0.1456 0.6785 0.071 Uiso 0.559(6) 1 calc PR C -1
C4A C 0.3587(7) 0.0357(6) 0.7259(5) 0.054(2) Uani 0.559(6) 1 d P C -1
H4A H 0.2949 0.0417 0.7752 0.081 Uiso 0.559(6) 1 calc PR C -1
H4B H 0.4275 0.0325 0.7399 0.081 Uiso 0.559(6) 1 calc PR C -1
H4C H 0.3543 -0.0270 0.7140 0.081 Uiso 0.559(6) 1 calc PR C -1
C5A C 0.6789(6) -0.0815(5) 0.6525(4) 0.0391(17) Uani 0.559(6) 1 d P C -1
H5A H 0.7481 -0.0990 0.6678 0.059 Uiso 0.559(6) 1 calc PR C -1
H5B H 0.6742 -0.1244 0.6197 0.059 Uiso 0.559(6) 1 calc PR C -1
H5C H 0.6156 -0.0935 0.7058 0.059 Uiso 0.559(6) 1 calc PR C -1
C6A C 0.7784(5) 0.0374(5) 0.5150(4) 0.0387(17) Uani 0.559(6) 1 d P C -1
H6A H 0.7767 0.1076 0.4749 0.058 Uiso 0.559(6) 1 calc PR C -1
H6B H 0.7737 -0.0113 0.4871 0.058 Uiso 0.559(6) 1 calc PR C -1
H6C H 0.8478 0.0236 0.5298 0.058 Uiso 0.559(6) 1 calc PR C -1
C7A C 0.6360(7) 0.3269(7) 0.4209(6) 0.042(2) Uani 0.559(6) 1 d P C -1
H7A H 0.6294 0.3946 0.3772 0.050 Uiso 0.559(6) 1 calc PR C -1
H7B H 0.7156 0.3107 0.4158 0.050 Uiso 0.559(6) 1 calc PR C -1
C8A C 0.5725(7) 0.3314(6) 0.5115(7) 0.037(2) Uani 0.559(6) 1 d P C -1
H8A H 0.4961 0.3587 0.5125 0.045 Uiso 0.559(6) 1 calc PR C -1
H8B H 0.6082 0.3805 0.5232 0.045 Uiso 0.559(6) 1 calc PR C -1
C9A C 0.3673(8) 0.2199(7) 0.6620(6) 0.041(2) Uani 0.559(6) 1 d P C -1
H9A H 0.3123 0.2242 0.7171 0.050 Uiso 0.559(6) 1 calc PR C -1
H9B H 0.3486 0.2762 0.6138 0.050 Uiso 0.559(6) 1 calc PR C -1
C10A C 0.4818(9) 0.2359(9) 0.6620(7) 0.043(2) Uani 0.559(6) 1 d P C -1
H10A H 0.4826 0.3045 0.6666 0.052 Uiso 0.559(6) 1 calc PR C -1
H10B H 0.4982 0.1837 0.7134 0.052 Uiso 0.559(6) 1 calc PR C -1
C11A C 0.6913(15) 0.0959(17) 0.6409(11) 0.036(3) Uani 0.559(6) 1 d P C -1
H11A H 0.6373 0.0794 0.7000 0.043 Uiso 0.559(6) 1 calc PR C -1
H11B H 0.7665 0.0822 0.6477 0.043 Uiso 0.559(6) 1 calc PR C -1
C12A C 0.6785(6) 0.2054(5) 0.5962(5) 0.0339(16) Uani 0.559(6) 1 d P C -1
H12A H 0.7358 0.2254 0.5386 0.041 Uiso 0.559(6) 1 calc PR C -1
H12B H 0.6880 0.2452 0.6306 0.041 Uiso 0.559(6) 1 calc PR C -1
C1C C 0.3258(16) 0.1611(15) 0.5898(12) 0.044(5) Uiso 0.220(3) 1 d P C -2
H1F H 0.3148 0.2368 0.5720 0.053 Uiso 0.220(3) 1 calc PR C -2
H1G H 0.2656 0.1268 0.5873 0.053 Uiso 0.220(3) 1 calc PR C -2
C1D C 0.278(2) 0.1773(14) 0.6035(14) 0.037(5) Uiso 0.220(3) 1 d P C -2
H1H H 0.2134 0.2031 0.6420 0.056 Uiso 0.220(3) 1 calc PR C -2
H1I H 0.2540 0.1306 0.5825 0.056 Uiso 0.220(3) 1 calc PR C -2
H1J H 0.3146 0.2352 0.5538 0.056 Uiso 0.220(3) 1 calc PR C -2
C2B C 0.2912(8) 0.0285(8) 0.7274(6) 0.051(3) Uani 0.441(6) 1 d P C -2
H2D H 0.3373 -0.0116 0.7641 0.076 Uiso 0.441(6) 1 calc PR C -2
H2E H 0.2709 -0.0154 0.7018 0.076 Uiso 0.441(6) 1 calc PR C -2
H2F H 0.2238 0.0551 0.7627 0.076 Uiso 0.441(6) 1 calc PR C -2
C3B C 0.5241(8) 0.2808(7) 0.3447(6) 0.048(3) Uani 0.441(6) 1 d P C -2
H3D H 0.4495 0.3033 0.3741 0.072 Uiso 0.441(6) 1 calc PR C -2
H3E H 0.5190 0.2224 0.3274 0.072 Uiso 0.441(6) 1 calc PR C -2
H3F H 0.5588 0.3374 0.2929 0.072 Uiso 0.441(6) 1 calc PR C -2
C4B C 0.7020(8) 0.2235(9) 0.3646(8) 0.064(3) Uani 0.441(6) 1 d P C -2
H4D H 0.7345 0.2819 0.3136 0.097 Uiso 0.441(6) 1 calc PR C -2
H4E H 0.7040 0.1642 0.3463 0.097 Uiso 0.441(6) 1 calc PR C -2
H4F H 0.7445 0.2064 0.4057 0.097 Uiso 0.441(6) 1 calc PR C -2
C5B C 0.6052(8) -0.0524(7) 0.6905(6) 0.053(3) Uani 0.441(6) 1 d P C -2
H5D H 0.6544 -0.0921 0.7247 0.079 Uiso 0.441(6) 1 calc PR C -2
H5E H 0.5679 -0.0992 0.6786 0.079 Uiso 0.441(6) 1 calc PR C -2
H5F H 0.5496 -0.0128 0.7234 0.079 Uiso 0.441(6) 1 calc PR C -2
C6B C 0.7646(8) -0.0353(9) 0.5638(7) 0.068(3) Uani 0.441(6) 1 d P C -2
H6D H 0.8061 0.0063 0.5052 0.102 Uiso 0.441(6) 1 calc PR C -2
H6E H 0.7349 -0.0939 0.5606 0.102 Uiso 0.441(6) 1 calc PR C -2
H6F H 0.8141 -0.0603 0.6000 0.102 Uiso 0.441(6) 1 calc PR C -2
C7B C 0.3779(11) 0.1843(10) 0.7032(8) 0.049(3) Uani 0.441(6) 1 d P C -2
H7C H 0.3069 0.2156 0.7313 0.059 Uiso 0.441(6) 1 calc PR C -2
H7D H 0.4112 0.1400 0.7487 0.059 Uiso 0.441(6) 1 calc PR C -2
C8B C 0.4547(12) 0.2653(12) 0.6387(10) 0.047(4) Uani 0.441(6) 1 d P C -2
H8C H 0.4708 0.3057 0.6698 0.057 Uiso 0.441(6) 1 calc PR C -2
H8D H 0.4159 0.3122 0.5978 0.057 Uiso 0.441(6) 1 calc PR C -2
C9B C 0.5794(10) 0.3375(9) 0.4398(9) 0.052(3) Uani 0.441(6) 1 d P C -2
H9C H 0.6202 0.3966 0.3930 0.062 Uiso 0.441(6) 1 calc PR C -2
H9D H 0.5000 0.3594 0.4573 0.062 Uiso 0.441(6) 1 calc PR C -2
C10B C 0.6218(9) 0.3094(10) 0.5160(11) 0.059(4) Uani 0.441(6) 1 d P C -2
H10C H 0.7019 0.2900 0.4981 0.071 Uiso 0.441(6) 1 calc PR C -2
H10D H 0.6131 0.3699 0.5353 0.071 Uiso 0.441(6) 1 calc PR C -2
C11B C 0.719(2) 0.096(3) 0.6265(17) 0.049(6) Uani 0.441(6) 1 d P C -2
H11C H 0.7823 0.1315 0.5778 0.059 Uiso 0.441(6) 1 calc PR C -2
H11D H 0.7470 0.0562 0.6764 0.059 Uiso 0.441(6) 1 calc PR C -2
C12B C 0.6277(8) 0.1767(9) 0.6528(8) 0.058(3) Uani 0.441(6) 1 d P C -2
H12C H 0.5736 0.1426 0.7095 0.069 Uiso 0.441(6) 1 calc PR C -2
H12D H 0.6627 0.2301 0.6600 0.069 Uiso 0.441(6) 1 calc PR C -2
C13 C 0.2550(2) 0.72542(19) 0.15322(17) 0.0212(6) Uani 1 1 d . . .
C14 C 0.3544(2) 0.6923(2) 0.17221(18) 0.0230(6) Uani 1 1 d . . .
H14 H 0.3589 0.6926 0.2259 0.028 Uiso 1 1 calc R . .
C15 C 0.4475(2) 0.6589(2) 0.11658(19) 0.0260(7) Uani 1 1 d . . .
C16 C 0.4452(2) 0.6597(2) 0.03695(19) 0.0282(7) Uani 1 1 d . . .
H16 H 0.5085 0.6372 -0.0016 0.034 Uiso 1 1 calc R . .
C17 C 0.3486(3) 0.6940(2) 0.01478(18) 0.0277(7) Uani 1 1 d . A .
C18 C 0.2561(2) 0.7255(2) 0.07170(18) 0.0244(6) Uani 1 1 d . . .
H18 H 0.1907 0.7481 0.0549 0.029 Uiso 1 1 calc R . .
C19 C 0.5482(3) 0.6235(3) 0.1447(2) 0.0374(8) Uani 1 1 d . . .
C20 C 0.3460(3) 0.7012(3) -0.0733(2) 0.0435(9) Uani 1 1 d . . .
C21 C 0.1626(2) 0.8918(2) 0.19786(17) 0.0204(6) Uani 1 1 d . . .
C22 C 0.2652(2) 0.9386(2) 0.15401(17) 0.0220(6) Uani 1 1 d . . .
H22 H 0.3281 0.8995 0.1312 0.026 Uiso 1 1 calc R . .
C23 C 0.2774(2) 1.0405(2) 0.14294(17) 0.0232(6) Uani 1 1 d . . .
C24 C 0.1886(2) 1.1007(2) 0.17515(18) 0.0252(7) Uani 1 1 d . . .
H24 H 0.1973 1.1699 0.1683 0.030 Uiso 1 1 calc R . .
C25 C 0.0863(2) 1.0561(2) 0.21798(18) 0.0239(6) Uani 1 1 d . . .
C26 C 0.0745(2) 0.9554(2) 0.22741(17) 0.0224(6) Uani 1 1 d . . .
H26 H 0.0027 0.9282 0.2555 0.027 Uiso 1 1 calc R . .
C27 C 0.3904(3) 1.0841(2) 0.0955(2) 0.0332(8) Uani 1 1 d . . .
C28 C -0.0138(3) 1.1163(3) 0.2536(2) 0.0370(8) Uani 1 1 d . . .
C29 C 0.0354(2) 0.7534(2) 0.19810(16) 0.0186(6) Uani 1 1 d . . .
C30 C -0.0155(2) 0.6596(2) 0.23424(17) 0.0212(6) Uani 1 1 d . . .
H30 H 0.0112 0.6053 0.2758 0.025 Uiso 1 1 calc R . .
C31 C -0.1036(2) 0.6420(2) 0.21203(17) 0.0222(6) Uani 1 1 d . . .
C32 C -0.1452(2) 0.7188(2) 0.15217(17) 0.0241(6) Uani 1 1 d . . .
H32 H -0.2053 0.7072 0.1366 0.029 Uiso 1 1 calc R . .
C33 C -0.0970(2) 0.8130(2) 0.11554(17) 0.0245(6) Uani 1 1 d . . .
C34 C -0.0090(2) 0.8300(2) 0.13790(17) 0.0229(6) Uani 1 1 d . . .
H34 H 0.0222 0.8957 0.1115 0.027 Uiso 1 1 calc R . .
C35 C -0.1587(3) 0.5417(2) 0.2560(2) 0.0325(7) Uani 1 1 d . . .
C36 C -0.1394(3) 0.8983(3) 0.0497(2) 0.0397(9) Uani 1 1 d . . .
C37 C 0.1331(2) 0.7060(2) 0.32144(17) 0.0207(6) Uani 1 1 d . . .
C38 C 0.1741(2) 0.6054(2) 0.35118(18) 0.0238(6) Uani 1 1 d . . .
H38 H 0.2138 0.5718 0.3100 0.029 Uiso 1 1 calc R . .
C39 C 0.1589(2) 0.5522(2) 0.43931(19) 0.0273(7) Uani 1 1 d . . .
C40 C 0.0989(3) 0.5966(2) 0.50202(19) 0.0312(7) Uani 1 1 d . . .
H40 H 0.0883 0.5604 0.5620 0.037 Uiso 1 1 calc R . .
C41 C 0.0548(2) 0.6956(2) 0.47426(18) 0.0293(7) Uani 1 1 d . B .
C42 C 0.0727(2) 0.7483(2) 0.38658(18) 0.0241(6) Uani 1 1 d . . .
H42 H 0.0425 0.8166 0.3698 0.029 Uiso 1 1 calc R . .
C43 C 0.2139(3) 0.4489(2) 0.4672(2) 0.0373(8) Uani 1 1 d . . .
C44 C -0.0111(3) 0.7472(3) 0.5393(2) 0.0465(10) Uani 1 1 d . . .
C45 C 0.9099(4) 0.6312(3) 0.9608(3) 0.0873(16) Uani 1 1 d . . .
H45A H 0.9727 0.6702 0.9159 0.131 Uiso 1 1 calc R . .
H45B H 0.9344 0.5854 1.0101 0.131 Uiso 1 1 calc R . .
H45C H 0.8507 0.6788 0.9806 0.131 Uiso 1 1 calc R . .
C46 C 0.8683(4) 0.5701(3) 0.9249(3) 0.0792(15) Uani 1 1 d . . .
H46A H 0.9319 0.5377 0.8899 0.095 Uiso 1 1 calc R . .
H46B H 0.8237 0.5146 0.9732 0.095 Uiso 1 1 calc R . .
C47 C 0.7605(4) 0.5753(3) 0.8366(3) 0.0819(15) Uani 1 1 d . . .
H47A H 0.7159 0.5189 0.8838 0.098 Uiso 1 1 calc R . .
H47B H 0.8226 0.5443 0.7993 0.098 Uiso 1 1 calc R . .
C48 C 0.6915(4) 0.6414(4) 0.7851(3) 0.0749(14) Uani 1 1 d . . .
H48A H 0.6336 0.6768 0.8204 0.112 Uiso 1 1 calc R . .
H48B H 0.6570 0.5996 0.7660 0.112 Uiso 1 1 calc R . .
H48C H 0.7375 0.6921 0.7341 0.112 Uiso 1 1 calc R . .


_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 N2 2.504(3) . ?
Dy1 N1 2.515(3) . ?
Dy1 N3 2.528(3) . ?
Dy1 C1C 2.543(19) . ?
Dy1 N4 2.581(2) . ?
Dy1 C1A 2.596(15) . ?
Dy1 Dy1 3.3377(3) 2_656 ?
Dy1 H1 2.20(2) . ?
Dy1 H2 2.20(2) . ?
Dy1 H3 2.21(2) . ?
O1 C46 1.390(5) . ?
O1 C47 1.397(5) . ?
N1 C1A 1.309(16) . ?
N1 C4B 1.394(10) . ?
N1 C7A 1.443(10) . ?
N1 C3B 1.482(9) . ?
N1 C9B 1.521(13) . ?
N1 C2A 1.557(8) . ?
N1 C1B 1.567(15) . ?
N2 C1C 1.212(19) . ?
N2 C4A 1.394(7) . ?
N2 C9A 1.474(10) . ?
N2 C1D 1.50(2) . ?
N2 C3A 1.511(7) . ?
N2 C7B 1.542(12) . ?
N2 C2B 1.573(9) . ?
N3 C6B 1.399(9) . ?
N3 C5A 1.434(6) . ?
N3 C11B 1.46(3) . ?
N3 C11A 1.47(2) . ?
N3 C6A 1.577(6) . ?
N3 C5B 1.605(8) . ?
N4 C10B 1.392(15) . ?
N4 C10A 1.424(12) . ?
N4 C12A 1.491(7) . ?
N4 C8A 1.534(10) . ?
N4 C8B 1.537(14) . ?
N4 C12B 1.537(11) . ?
F1 C19 1.325(4) . ?
F2 C19 1.318(4) . ?
F3 C19 1.341(4) . ?
F4A C20 1.319(5) . ?
F5A C20 1.355(6) . ?
F6A C20 1.311(5) . ?
F4B C20 1.33(4) . ?
F5B C20 1.20(2) . ?
F6B C20 1.36(2) . ?
F7 C27 1.324(3) . ?
F8 C27 1.345(3) . ?
F9 C27 1.324(3) . ?
F10 C28 1.333(4) . ?
F11 C28 1.342(4) . ?
F12 C28 1.325(3) . ?
F13 C35 1.325(3) . ?
F14 C35 1.348(4) . ?
F15 C35 1.323(3) . ?
F16 C36 1.333(4) . ?
F17 C36 1.333(3) . ?
F18 C36 1.333(4) . ?
F19 C43 1.348(3) . ?
F20 C43 1.342(3) . ?
F21 C43 1.329(4) . ?
F22A C44 1.349(5) . ?
F23A C44 1.371(5) . ?
F24A C44 1.305(5) . ?
F22B C44 1.168(18) . ?
F23B C44 1.250(13) . ?
F24B C44 1.490(11) . ?
B1 C13 1.637(4) . ?
B1 C29 1.641(4) . ?
B1 C21 1.650(4) . ?
B1 C37 1.660(4) . ?
C1A H1A 0.9900 . ?
C1A H1B 0.9900 . ?
C1B H1C 0.9800 . ?
C1B H1D 0.9800 . ?
C1B H1E 0.9800 . ?
C2A H2A 0.9800 . ?
C2A H2B 0.9800 . ?
C2A H2C 0.9800 . ?
C3A H3A 0.9800 . ?
C3A H3B 0.9800 . ?
C3A H3C 0.9800 . ?
C4A H4A 0.9800 . ?
C4A H4B 0.9800 . ?
C4A H4C 0.9800 . ?
C5A H5A 0.9800 . ?
C5A H5B 0.9800 . ?
C5A H5C 0.9800 . ?
C6A H6A 0.9800 . ?
C6A H6B 0.9800 . ?
C6A H6C 0.9800 . ?
C7A C8A 1.519(14) . ?
C7A H7A 0.9900 . ?
C7A H7B 0.9900 . ?
C8A H8A 0.9900 . ?
C8A H8B 0.9900 . ?
C9A C10A 1.518(14) . ?
C9A H9A 0.9900 . ?
C9A H9B 0.9900 . ?
C10A H10A 0.9900 . ?
C10A H10B 0.9900 . ?
C11A C12A 1.46(2) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
C12A H12A 0.9900 . ?
C12A H12B 0.9900 . ?
C1C H1F 0.9900 . ?
C1C H1G 0.9900 . ?
C1D H1H 0.9800 . ?
C1D H1I 0.9800 . ?
C1D H1J 0.9800 . ?
C2B H2D 0.9800 . ?
C2B H2E 0.9800 . ?
C2B H2F 0.9800 . ?
C3B H3D 0.9800 . ?
C3B H3E 0.9800 . ?
C3B H3F 0.9800 . ?
C4B H4D 0.9800 . ?
C4B H4E 0.9800 . ?
C4B H4F 0.9800 . ?
C5B H5D 0.9800 . ?
C5B H5E 0.9800 . ?
C5B H5F 0.9800 . ?
C6B H6D 0.9800 . ?
C6B H6E 0.9800 . ?
C6B H6F 0.9800 . ?
C7B C8B 1.48(2) . ?
C7B H7C 0.9900 . ?
C7B H7D 0.9900 . ?
C8B H8C 0.9900 . ?
C8B H8D 0.9900 . ?
C9B C10B 1.49(2) . ?
C9B H9C 0.9900 . ?
C9B H9D 0.9900 . ?
C10B H10C 0.9900 . ?
C10B H10D 0.9900 . ?
C11B C12B 1.56(3) . ?
C11B H11C 0.9900 . ?
C11B H11D 0.9900 . ?
C12B H12C 0.9900 . ?
C12B H12D 0.9900 . ?
C13 C14 1.390(4) . ?
C13 C18 1.404(4) . ?
C14 C15 1.390(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.383(4) . ?
C15 C19 1.483(4) . ?
C16 C17 1.383(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.385(4) . ?
C17 C20 1.502(4) . ?
C18 H18 0.9500 . ?
C21 C26 1.391(4) . ?
C21 C22 1.404(4) . ?
C22 C23 1.393(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.382(4) . ?
C23 C27 1.502(4) . ?
C24 C25 1.389(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.382(4) . ?
C25 C28 1.490(4) . ?
C26 H26 0.9500 . ?
C29 C30 1.393(3) . ?
C29 C34 1.401(4) . ?
C30 C31 1.390(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.380(4) . ?
C31 C35 1.492(4) . ?
C32 C33 1.381(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(4) . ?
C33 C36 1.502(4) . ?
C34 H34 0.9500 . ?
C37 C38 1.395(4) . ?
C37 C42 1.398(4) . ?
C38 C39 1.396(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.383(4) . ?
C39 C43 1.490(4) . ?
C40 C41 1.386(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.383(4) . ?
C41 C44 1.496(5) . ?
C42 H42 0.9500 . ?
C45 C46 1.464(6) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.454(6) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?

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
N2 Dy1 N1 116.01(9) . . ?
N2 Dy1 N3 105.00(10) . . ?
N1 Dy1 N3 106.37(9) . . ?
N2 Dy1 C1C 27.8(4) . . ?
N1 Dy1 C1C 97.8(4) . . ?
N3 Dy1 C1C 132.3(4) . . ?
N2 Dy1 N4 70.42(9) . . ?
N1 Dy1 N4 70.28(9) . . ?
N3 Dy1 N4 70.08(8) . . ?
C1C Dy1 N4 80.8(4) . . ?
N2 Dy1 C1A 96.4(4) . . ?
N1 Dy1 C1A 29.6(3) . . ?
N3 Dy1 C1A 135.3(4) . . ?
C1C Dy1 C1A 72.4(6) . . ?
N4 Dy1 C1A 81.3(3) . . ?
N2 Dy1 Dy1 111.13(6) . 2_656 ?
N1 Dy1 Dy1 110.89(6) . 2_656 ?
N3 Dy1 Dy1 106.73(6) . 2_656 ?
C1C Dy1 Dy1 101.8(4) . 2_656 ?
N4 Dy1 Dy1 176.80(6) . 2_656 ?
C1A Dy1 Dy1 101.1(3) . 2_656 ?
N2 Dy1 H1 113.7(16) . . ?
N1 Dy1 H1 83.7(14) . . ?
N3 Dy1 H1 130.4(15) . . ?
C1C Dy1 H1 92.1(17) . . ?
N4 Dy1 H1 151.7(13) . . ?
C1A Dy1 H1 70.4(14) . . ?
Dy1 Dy1 H1 30.7(13) 2_656 . ?
N2 Dy1 H2 141.7(15) . . ?
N1 Dy1 H2 101.2(15) . . ?
N3 Dy1 H2 70.7(15) . . ?
C1C Dy1 H2 143.5(15) . . ?
N4 Dy1 H2 135.1(14) . . ?
C1A Dy1 H2 113.4(16) . . ?
Dy1 Dy1 H2 42.1(14) 2_656 . ?
H1 Dy1 H2 59.7(19) . . ?
N2 Dy1 H3 143.2(15) . . ?
N1 Dy1 H3 78.4(14) . . ?
N3 Dy1 H3 102.3(16) . . ?
C1C Dy1 H3 122.8(17) . . ?
N4 Dy1 H3 143.4(14) . . ?
C1A Dy1 H3 80.6(15) . . ?
Dy1 Dy1 H3 36.1(14) 2_656 . ?
H1 Dy1 H3 30.8(17) . . ?
H2 Dy1 H3 35.0(17) . . ?
C46 O1 C47 115.5(3) . . ?
C1A N1 C7A 118.9(8) . . ?
C4B N1 C3B 112.4(6) . . ?
C4B N1 C9B 114.0(7) . . ?
C3B N1 C9B 105.7(7) . . ?
C1A N1 C2A 114.9(8) . . ?
C7A N1 C2A 105.4(5) . . ?
C4B N1 C1B 140.6(8) . . ?
C9B N1 C1B 88.3(8) . . ?
C1A N1 Dy1 78.6(6) . . ?
C4B N1 Dy1 105.2(5) . . ?
C7A N1 Dy1 116.8(4) . . ?
C3B N1 Dy1 112.2(4) . . ?
C9B N1 Dy1 107.3(5) . . ?
C2A N1 Dy1 121.2(4) . . ?
C1B N1 Dy1 97.7(7) . . ?
C1C N2 C4A 148.1(10) . . ?
C1C N2 C9A 93.2(10) . . ?
C4A N2 C9A 114.5(5) . . ?
C4A N2 C1D 137.9(9) . . ?
C9A N2 C1D 86.0(8) . . ?
C4A N2 C3A 110.9(5) . . ?
C9A N2 C3A 105.4(5) . . ?
C1C N2 C7B 121.5(11) . . ?
C1D N2 C7B 110.7(9) . . ?
C3A N2 C7B 122.2(6) . . ?
C1C N2 C2B 117.2(10) . . ?
C9A N2 C2B 124.6(6) . . ?
C1D N2 C2B 104.2(9) . . ?
C7B N2 C2B 102.9(6) . . ?
C1C N2 Dy1 77.9(9) . . ?
C4A N2 Dy1 105.6(4) . . ?
C9A N2 Dy1 109.0(4) . . ?
C1D N2 Dy1 101.1(9) . . ?
C3A N2 Dy1 111.6(3) . . ?
C7B N2 Dy1 116.0(5) . . ?
C2B N2 Dy1 121.4(4) . . ?
C6B N3 C5A 65.5(5) . . ?
C6B N3 C11B 110.1(11) . . ?
C5A N3 C11A 114.1(8) . . ?
C5A N3 C6A 106.6(4) . . ?
C11A N3 C6A 106.8(8) . . ?
C6B N3 C5B 106.0(6) . . ?
C11B N3 C5B 104.1(11) . . ?
C6B N3 Dy1 119.2(4) . . ?
C5A N3 Dy1 118.4(3) . . ?
C11B N3 Dy1 117.2(12) . . ?
C11A N3 Dy1 109.9(7) . . ?
C6A N3 Dy1 99.2(3) . . ?
C5B N3 Dy1 97.4(4) . . ?
C10A N4 C12A 112.7(4) . . ?
C10A N4 C8A 109.8(6) . . ?
C12A N4 C8A 105.9(4) . . ?
C10B N4 C12B 113.1(7) . . ?
C8B N4 C12B 103.0(6) . . ?
C10B N4 Dy1 111.8(6) . . ?
C10A N4 Dy1 111.5(5) . . ?
C12A N4 Dy1 109.5(3) . . ?
C8A N4 Dy1 107.1(4) . . ?
C8B N4 Dy1 107.2(6) . . ?
C12B N4 Dy1 109.7(4) . . ?
C13 B1 C29 108.4(2) . . ?
C13 B1 C21 109.1(2) . . ?
C29 B1 C21 111.1(2) . . ?
C13 B1 C37 112.0(2) . . ?
C29 B1 C37 107.5(2) . . ?
C21 B1 C37 108.7(2) . . ?
N1 C1A Dy1 71.8(7) . . ?
N1 C1A H1A 116.4 . . ?
Dy1 C1A H1A 116.4 . . ?
N1 C1A H1B 116.4 . . ?
Dy1 C1A H1B 116.4 . . ?
H1A C1A H1B 113.4 . . ?
N1 C1B H1C 109.5 . . ?
N1 C1B H1D 109.5 . . ?
N1 C1B H1E 109.5 . . ?
N1 C2A H2A 109.5 . . ?
N1 C2A H2B 109.5 . . ?
N1 C2A H2C 109.5 . . ?
N2 C3A H3A 109.5 . . ?
N2 C3A H3B 109.5 . . ?
N2 C3A H3C 109.5 . . ?
N2 C4A H4A 109.5 . . ?
N2 C4A H4B 109.5 . . ?
N2 C4A H4C 109.5 . . ?
N3 C5A H5A 109.5 . . ?
N3 C5A H5B 109.5 . . ?
N3 C5A H5C 109.5 . . ?
N3 C6A H6A 109.5 . . ?
N3 C6A H6B 109.5 . . ?
N3 C6A H6C 109.5 . . ?
N1 C7A C8A 110.0(7) . . ?
N1 C7A H7A 109.7 . . ?
C8A C7A H7A 109.7 . . ?
N1 C7A H7B 109.7 . . ?
C8A C7A H7B 109.7 . . ?
H7A C7A H7B 108.2 . . ?
C7A C8A N4 115.1(6) . . ?
C7A C8A H8A 108.5 . . ?
N4 C8A H8A 108.5 . . ?
C7A C8A H8B 108.5 . . ?
N4 C8A H8B 108.5 . . ?
H8A C8A H8B 107.5 . . ?
N2 C9A C10A 113.7(8) . . ?
N2 C9A H9A 108.8 . . ?
C10A C9A H9A 108.8 . . ?
N2 C9A H9B 108.8 . . ?
C10A C9A H9B 108.8 . . ?
H9A C9A H9B 107.7 . . ?
N4 C10A C9A 111.8(7) . . ?
N4 C10A H10A 109.3 . . ?
C9A C10A H10A 109.3 . . ?
N4 C10A H10B 109.3 . . ?
C9A C10A H10B 109.3 . . ?
H10A C10A H10B 107.9 . . ?
C12A C11A N3 117.4(11) . . ?
C12A C11A H11A 108.0 . . ?
N3 C11A H11A 108.0 . . ?
C12A C11A H11B 108.0 . . ?
N3 C11A H11B 108.0 . . ?
H11A C11A H11B 107.2 . . ?
C11A C12A N4 109.2(8) . . ?
C11A C12A H12A 109.8 . . ?
N4 C12A H12A 109.8 . . ?
C11A C12A H12B 109.8 . . ?
N4 C12A H12B 109.8 . . ?
H12A C12A H12B 108.3 . . ?
N2 C1C Dy1 74.3(9) . . ?
N2 C1C H1F 116.1 . . ?
Dy1 C1C H1F 116.1 . . ?
N2 C1C H1G 116.1 . . ?
Dy1 C1C H1G 116.1 . . ?
H1F C1C H1G 113.1 . . ?
N2 C1D H1H 109.5 . . ?
N2 C1D H1I 109.5 . . ?
H1H C1D H1I 109.5 . . ?
N2 C1D H1J 109.5 . . ?
H1H C1D H1J 109.5 . . ?
H1I C1D H1J 109.5 . . ?
N2 C2B H2D 109.5 . . ?
N2 C2B H2E 109.5 . . ?
H2D C2B H2E 109.5 . . ?
N2 C2B H2F 109.5 . . ?
H2D C2B H2F 109.5 . . ?
H2E C2B H2F 109.5 . . ?
N1 C3B H3D 109.5 . . ?
N1 C3B H3E 109.5 . . ?
H3D C3B H3E 109.5 . . ?
N1 C3B H3F 109.5 . . ?
H3D C3B H3F 109.5 . . ?
H3E C3B H3F 109.5 . . ?
N1 C4B H4D 109.5 . . ?
N1 C4B H4E 109.5 . . ?
H4D C4B H4E 109.5 . . ?
N1 C4B H4F 109.5 . . ?
H4D C4B H4F 109.5 . . ?
H4E C4B H4F 109.5 . . ?
N3 C5B H5D 109.5 . . ?
N3 C5B H5E 109.5 . . ?
H5D C5B H5E 109.5 . . ?
N3 C5B H5F 109.5 . . ?
H5D C5B H5F 109.5 . . ?
H5E C5B H5F 109.5 . . ?
N3 C6B H6D 109.5 . . ?
N3 C6B H6E 109.5 . . ?
H6D C6B H6E 109.5 . . ?
N3 C6B H6F 109.5 . . ?
H6D C6B H6F 109.5 . . ?
H6E C6B H6F 109.5 . . ?
C8B C7B N2 106.6(9) . . ?
C8B C7B H7C 110.4 . . ?
N2 C7B H7C 110.4 . . ?
C8B C7B H7D 110.4 . . ?
N2 C7B H7D 110.4 . . ?
H7C C7B H7D 108.6 . . ?
C7B C8B N4 116.3(11) . . ?
C7B C8B H8C 108.2 . . ?
N4 C8B H8C 108.2 . . ?
C7B C8B H8D 108.2 . . ?
N4 C8B H8D 108.2 . . ?
H8C C8B H8D 107.4 . . ?
C10B C9B N1 112.7(10) . . ?
C10B C9B H9C 109.0 . . ?
N1 C9B H9C 109.0 . . ?
C10B C9B H9D 109.0 . . ?
N1 C9B H9D 109.0 . . ?
H9C C9B H9D 107.8 . . ?
N4 C10B C9B 111.9(9) . . ?
N4 C10B H10C 109.2 . . ?
C9B C10B H10C 109.2 . . ?
N4 C10B H10D 109.2 . . ?
C9B C10B H10D 109.2 . . ?
H10C C10B H10D 107.9 . . ?
N3 C11B C12B 111.8(16) . . ?
N3 C11B H11C 109.3 . . ?
C12B C11B H11C 109.3 . . ?
N3 C11B H11D 109.3 . . ?
C12B C11B H11D 109.3 . . ?
H11C C11B H11D 107.9 . . ?
N4 C12B C11B 112.6(11) . . ?
N4 C12B H12C 109.1 . . ?
C11B C12B H12C 109.1 . . ?
N4 C12B H12D 109.1 . . ?
C11B C12B H12D 109.1 . . ?
H12C C12B H12D 107.8 . . ?
C14 C13 C18 114.9(3) . . ?
C14 C13 B1 123.0(2) . . ?
C18 C13 B1 122.0(3) . . ?
C15 C14 C13 123.2(3) . . ?
C15 C14 H14 118.4 . . ?
C13 C14 H14 118.4 . . ?
C16 C15 C14 120.2(3) . . ?
C16 C15 C19 121.4(3) . . ?
C14 C15 C19 118.4(3) . . ?
C15 C16 C17 118.4(3) . . ?
C15 C16 H16 120.8 . . ?
C17 C16 H16 120.8 . . ?
C16 C17 C18 120.6(3) . . ?
C16 C17 C20 119.4(3) . . ?
C18 C17 C20 119.9(3) . . ?
C17 C18 C13 122.7(3) . . ?
C17 C18 H18 118.7 . . ?
C13 C18 H18 118.7 . . ?
F2 C19 F1 106.9(3) . . ?
F2 C19 F3 104.9(3) . . ?
F1 C19 F3 104.2(3) . . ?
F2 C19 C15 114.3(3) . . ?
F1 C19 C15 113.1(3) . . ?
F3 C19 C15 112.5(3) . . ?
F6A C20 F4A 107.3(4) . . ?
F5B C20 F4B 110.7(18) . . ?
F6A C20 F5A 105.4(4) . . ?
F4A C20 F5A 105.4(4) . . ?
F5B C20 F6B 104.9(14) . . ?
F4B C20 F6B 102.8(16) . . ?
F5B C20 C17 117.7(10) . . ?
F6A C20 C17 113.1(3) . . ?
F4A C20 C17 113.6(3) . . ?
F4B C20 C17 107.6(15) . . ?
F5A C20 C17 111.4(3) . . ?
F6B C20 C17 112.1(11) . . ?
C26 C21 C22 115.1(2) . . ?
C26 C21 B1 121.9(2) . . ?
C22 C21 B1 122.9(3) . . ?
C23 C22 C21 122.0(3) . . ?
C23 C22 H22 119.0 . . ?
C21 C22 H22 119.0 . . ?
C24 C23 C22 121.3(3) . . ?
C24 C23 C27 120.3(3) . . ?
C22 C23 C27 118.4(3) . . ?
C23 C24 C25 117.5(3) . . ?
C23 C24 H24 121.2 . . ?
C25 C24 H24 121.2 . . ?
C26 C25 C24 120.8(3) . . ?
C26 C25 C28 118.5(3) . . ?
C24 C25 C28 120.7(3) . . ?
C25 C26 C21 123.3(3) . . ?
C25 C26 H26 118.4 . . ?
C21 C26 H26 118.4 . . ?
F7 C27 F9 107.4(3) . . ?
F7 C27 F8 104.7(3) . . ?
F9 C27 F8 105.6(2) . . ?
F7 C27 C23 113.6(3) . . ?
F9 C27 C23 112.7(3) . . ?
F8 C27 C23 112.1(2) . . ?
F12 C28 F10 106.3(3) . . ?
F12 C28 F11 105.8(3) . . ?
F10 C28 F11 105.0(3) . . ?
F12 C28 C25 114.3(3) . . ?
F10 C28 C25 113.0(3) . . ?
F11 C28 C25 111.9(3) . . ?
C30 C29 C34 115.4(2) . . ?
C30 C29 B1 122.1(2) . . ?
C34 C29 B1 122.2(2) . . ?
C31 C30 C29 122.7(3) . . ?
C31 C30 H30 118.6 . . ?
C29 C30 H30 118.6 . . ?
C32 C31 C30 120.5(3) . . ?
C32 C31 C35 118.9(3) . . ?
C30 C31 C35 120.5(3) . . ?
C31 C32 C33 118.2(3) . . ?
C31 C32 H32 120.9 . . ?
C33 C32 H32 120.9 . . ?
C32 C33 C34 121.0(3) . . ?
C32 C33 C36 119.8(3) . . ?
C34 C33 C36 119.2(3) . . ?
C33 C34 C29 122.2(3) . . ?
C33 C34 H34 118.9 . . ?
C29 C34 H34 118.9 . . ?
F15 C35 F13 106.8(3) . . ?
F15 C35 F14 106.1(3) . . ?
F13 C35 F14 104.7(3) . . ?
F15 C35 C31 113.3(2) . . ?
F13 C35 C31 113.8(3) . . ?
F14 C35 C31 111.5(3) . . ?
F18 C36 F17 106.9(3) . . ?
F18 C36 F16 105.6(2) . . ?
F17 C36 F16 106.3(3) . . ?
F18 C36 C33 111.8(3) . . ?
F17 C36 C33 112.4(3) . . ?
F16 C36 C33 113.3(3) . . ?
C38 C37 C42 115.0(2) . . ?
C38 C37 B1 123.0(3) . . ?
C42 C37 B1 121.9(2) . . ?
C37 C38 C39 122.4(3) . . ?
C37 C38 H38 118.8 . . ?
C39 C38 H38 118.8 . . ?
C40 C39 C38 121.0(3) . . ?
C40 C39 C43 118.5(3) . . ?
C38 C39 C43 120.4(3) . . ?
C39 C40 C41 117.7(3) . . ?
C39 C40 H40 121.1 . . ?
C41 C40 H40 121.2 . . ?
C42 C41 C40 120.7(3) . . ?
C42 C41 C44 119.3(3) . . ?
C40 C41 C44 120.0(3) . . ?
C41 C42 C37 123.2(3) . . ?
C41 C42 H42 118.4 . . ?
C37 C42 H42 118.4 . . ?
F21 C43 F20 107.0(3) . . ?
F21 C43 F19 105.7(3) . . ?
F20 C43 F19 105.3(2) . . ?
F21 C43 C39 113.7(3) . . ?
F20 C43 C39 112.5(3) . . ?
F19 C43 C39 111.9(3) . . ?
F22B C44 F23B 116.5(11) . . ?
F24A C44 F22A 109.4(4) . . ?
F24A C44 F23A 105.2(4) . . ?
F22A C44 F23A 103.0(4) . . ?
F22B C44 F24B 96.7(10) . . ?
F23B C44 F24B 99.1(9) . . ?
F22B C44 C41 121.6(10) . . ?
F23B C44 C41 114.2(6) . . ?
F24A C44 C41 114.0(3) . . ?
F22A C44 C41 112.6(3) . . ?
F23A C44 C41 111.8(3) . . ?
F24B C44 C41 102.0(5) . . ?
C46 C45 H45A 109.5 . . ?
C46 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C46 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O1 C46 C45 112.4(4) . . ?
O1 C46 H46A 109.1 . . ?
C45 C46 H46A 109.1 . . ?
O1 C46 H46B 109.1 . . ?
C45 C46 H46B 109.1 . . ?
H46A C46 H46B 107.9 . . ?
O1 C47 C48 112.2(3) . . ?
O1 C47 H47A 109.2 . . ?
C48 C47 H47A 109.2 . . ?
O1 C47 H47B 109.2 . . ?
C48 C47 H47B 109.2 . . ?
H47A C47 H47B 107.9 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 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
N2 Dy1 N1 C1A -52.7(7) . . . . ?
N3 Dy1 N1 C1A -169.0(7) . . . . ?
C1C Dy1 N1 C1A -30.6(8) . . . . ?
N4 Dy1 N1 C1A -107.9(7) . . . . ?
Dy1 Dy1 N1 C1A 75.3(7) 2_656 . . . ?
N2 Dy1 N1 C4B 158.2(5) . . . . ?
N3 Dy1 N1 C4B 41.9(5) . . . . ?
C1C Dy1 N1 C4B -179.7(7) . . . . ?
N4 Dy1 N1 C4B 103.0(5) . . . . ?
C1A Dy1 N1 C4B -149.1(9) . . . . ?
Dy1 Dy1 N1 C4B -73.8(5) 2_656 . . . ?
N2 Dy1 N1 C7A 64.1(5) . . . . ?
N3 Dy1 N1 C7A -52.2(5) . . . . ?
C1C Dy1 N1 C7A 86.2(6) . . . . ?
N4 Dy1 N1 C7A 8.9(5) . . . . ?
C1A Dy1 N1 C7A 116.8(9) . . . . ?
Dy1 Dy1 N1 C7A -167.9(4) 2_656 . . . ?
N2 Dy1 N1 C3B -79.3(5) . . . . ?
N3 Dy1 N1 C3B 164.4(5) . . . . ?
C1C Dy1 N1 C3B -57.2(6) . . . . ?
N4 Dy1 N1 C3B -134.5(5) . . . . ?
C1A Dy1 N1 C3B -26.6(9) . . . . ?
Dy1 Dy1 N1 C3B 48.7(5) 2_656 . . . ?
N2 Dy1 N1 C9B 36.4(6) . . . . ?
N3 Dy1 N1 C9B -79.9(6) . . . . ?
C1C Dy1 N1 C9B 58.5(7) . . . . ?
N4 Dy1 N1 C9B -18.7(6) . . . . ?
C1A Dy1 N1 C9B 89.1(9) . . . . ?
Dy1 Dy1 N1 C9B 164.4(6) 2_656 . . . ?
N2 Dy1 N1 C2A -165.0(4) . . . . ?
N3 Dy1 N1 C2A 78.7(4) . . . . ?
C1C Dy1 N1 C2A -142.9(6) . . . . ?
N4 Dy1 N1 C2A 139.8(5) . . . . ?
C1A Dy1 N1 C2A -112.3(9) . . . . ?
Dy1 Dy1 N1 C2A -37.0(4) 2_656 . . . ?
N2 Dy1 N1 C1B -54.2(6) . . . . ?
N3 Dy1 N1 C1B -170.5(6) . . . . ?
C1C Dy1 N1 C1B -32.1(7) . . . . ?
N4 Dy1 N1 C1B -109.4(6) . . . . ?
C1A Dy1 N1 C1B -1.5(11) . . . . ?
Dy1 Dy1 N1 C1B 73.8(6) 2_656 . . . ?
N1 Dy1 N2 C1C 53.1(9) . . . . ?
N3 Dy1 N2 C1C 170.2(9) . . . . ?
N4 Dy1 N2 C1C 108.2(9) . . . . ?
C1A Dy1 N2 C1C 29.8(10) . . . . ?
Dy1 Dy1 N2 C1C -74.8(9) 2_656 . . . ?
N1 Dy1 N2 C4A -159.6(4) . . . . ?
N3 Dy1 N2 C4A -42.5(4) . . . . ?
C1C Dy1 N2 C4A 147.4(10) . . . . ?
N4 Dy1 N2 C4A -104.5(4) . . . . ?
C1A Dy1 N2 C4A 177.1(5) . . . . ?
Dy1 Dy1 N2 C4A 72.6(4) 2_656 . . . ?
N1 Dy1 N2 C9A -36.1(4) . . . . ?
N3 Dy1 N2 C9A 81.0(4) . . . . ?
C1C Dy1 N2 C9A -89.2(10) . . . . ?
N4 Dy1 N2 C9A 19.0(4) . . . . ?
C1A Dy1 N2 C9A -59.4(5) . . . . ?
Dy1 Dy1 N2 C9A -164.0(4) 2_656 . . . ?
N1 Dy1 N2 C1D 53.4(8) . . . . ?
N3 Dy1 N2 C1D 170.5(8) . . . . ?
C1C Dy1 N2 C1D 0.3(14) . . . . ?
N4 Dy1 N2 C1D 108.5(8) . . . . ?
C1A Dy1 N2 C1D 30.1(8) . . . . ?
Dy1 Dy1 N2 C1D -74.5(8) 2_656 . . . ?
N1 Dy1 N2 C3A 79.9(4) . . . . ?
N3 Dy1 N2 C3A -163.0(4) . . . . ?
C1C Dy1 N2 C3A 26.8(11) . . . . ?
N4 Dy1 N2 C3A 135.0(4) . . . . ?
C1A Dy1 N2 C3A 56.6(5) . . . . ?
Dy1 Dy1 N2 C3A -48.0(4) 2_656 . . . ?
N1 Dy1 N2 C7B -66.3(6) . . . . ?
N3 Dy1 N2 C7B 50.8(6) . . . . ?
C1C Dy1 N2 C7B -119.4(11) . . . . ?
N4 Dy1 N2 C7B -11.2(5) . . . . ?
C1A Dy1 N2 C7B -89.6(6) . . . . ?
Dy1 Dy1 N2 C7B 165.8(5) 2_656 . . . ?
N1 Dy1 N2 C2B 167.7(5) . . . . ?
N3 Dy1 N2 C2B -75.2(5) . . . . ?
C1C Dy1 N2 C2B 114.6(11) . . . . ?
N4 Dy1 N2 C2B -137.2(5) . . . . ?
C1A Dy1 N2 C2B 144.4(6) . . . . ?
Dy1 Dy1 N2 C2B 39.9(5) 2_656 . . . ?
N2 Dy1 N3 C6B 155.4(6) . . . . ?
N1 Dy1 N3 C6B -81.1(6) . . . . ?
C1C Dy1 N3 C6B 161.6(8) . . . . ?
N4 Dy1 N3 C6B -142.3(6) . . . . ?
C1A Dy1 N3 C6B -88.8(8) . . . . ?
Dy1 Dy1 N3 C6B 37.4(6) 2_656 . . . ?
N2 Dy1 N3 C5A 79.2(4) . . . . ?
N1 Dy1 N3 C5A -157.3(4) . . . . ?
C1C Dy1 N3 C5A 85.3(7) . . . . ?
N4 Dy1 N3 C5A 141.4(4) . . . . ?
C1A Dy1 N3 C5A -165.0(6) . . . . ?
Dy1 Dy1 N3 C5A -38.9(4) 2_656 . . . ?
N2 Dy1 N3 C11B -67.7(11) . . . . ?
N1 Dy1 N3 C11B 55.8(11) . . . . ?
C1C Dy1 N3 C11B -61.6(13) . . . . ?
N4 Dy1 N3 C11B -5.5(11) . . . . ?
C1A Dy1 N3 C11B 48.1(13) . . . . ?
Dy1 Dy1 N3 C11B 174.2(11) 2_656 . . . ?
N2 Dy1 N3 C11A -54.5(8) . . . . ?
N1 Dy1 N3 C11A 69.0(8) . . . . ?
C1C Dy1 N3 C11A -48.3(10) . . . . ?
N4 Dy1 N3 C11A 7.7(8) . . . . ?
C1A Dy1 N3 C11A 61.3(10) . . . . ?
Dy1 Dy1 N3 C11A -172.5(8) 2_656 . . . ?
N2 Dy1 N3 C6A -166.3(3) . . . . ?
N1 Dy1 N3 C6A -42.8(3) . . . . ?
C1C Dy1 N3 C6A -160.1(6) . . . . ?
N4 Dy1 N3 C6A -104.0(3) . . . . ?
C1A Dy1 N3 C6A -50.5(6) . . . . ?
Dy1 Dy1 N3 C6A 75.7(3) 2_656 . . . ?
N2 Dy1 N3 C5B 42.3(4) . . . . ?
N1 Dy1 N3 C5B 165.8(4) . . . . ?
C1C Dy1 N3 C5B 48.5(7) . . . . ?
N4 Dy1 N3 C5B 104.5(4) . . . . ?
C1A Dy1 N3 C5B 158.1(6) . . . . ?
N2 Dy1 N4 C10B -138.4(5) . . . . ?
N1 Dy1 N4 C10B -10.0(5) . . . . ?
N3 Dy1 N4 C10B 106.7(5) . . . . ?
C1C Dy1 N4 C10B -111.8(7) . . . . ?
C1A Dy1 N4 C10B -38.4(6) . . . . ?
N2 Dy1 N4 C10A 8.9(4) . . . . ?
N1 Dy1 N4 C10A 137.4(4) . . . . ?
N3 Dy1 N4 C10A -106.0(4) . . . . ?
C1C Dy1 N4 C10A 35.6(6) . . . . ?
C1A Dy1 N4 C10A 109.0(6) . . . . ?
N2 Dy1 N4 C12A 134.3(3) . . . . ?
N1 Dy1 N4 C12A -97.2(3) . . . . ?
N3 Dy1 N4 C12A 19.4(3) . . . . ?
C1C Dy1 N4 C12A 161.0(6) . . . . ?
C1A Dy1 N4 C12A -125.6(5) . . . . ?
N2 Dy1 N4 C8A -111.2(4) . . . . ?
N1 Dy1 N4 C8A 17.2(4) . . . . ?
N3 Dy1 N4 C8A 133.9(4) . . . . ?
C1A Dy1 N4 C8A -11.2(5) . . . . ?
N2 Dy1 N4 C8B -15.9(6) . . . . ?
N1 Dy1 N4 C8B 112.6(6) . . . . ?
N3 Dy1 N4 C8B -130.8(6) . . . . ?
C1C Dy1 N4 C8B 10.8(7) . . . . ?
C1A Dy1 N4 C8B 84.2(7) . . . . ?
N2 Dy1 N4 C12B 95.3(5) . . . . ?
N1 Dy1 N4 C12B -136.3(5) . . . . ?
N3 Dy1 N4 C12B -19.6(5) . . . . ?
C1C Dy1 N4 C12B 121.9(6) . . . . ?
C1A Dy1 N4 C12B -164.7(6) . . . . ?
C4B N1 C1A Dy1 100.7(15) . . . . ?
C7A N1 C1A Dy1 -114.4(6) . . . . ?
C3B N1 C1A Dy1 142.2(11) . . . . ?
C9B N1 C1A Dy1 -107.1(5) . . . . ?
C2A N1 C1A Dy1 119.3(5) . . . . ?
C1B N1 C1A Dy1 175(3) . . . . ?
N2 Dy1 C1A N1 134.0(6) . . . . ?
N3 Dy1 C1A N1 15.1(10) . . . . ?
C1C Dy1 C1A N1 148.1(9) . . . . ?
N4 Dy1 C1A N1 65.0(6) . . . . ?
Dy1 Dy1 C1A N1 -112.9(6) 2_656 . . . ?
C1A N1 C7A C8A 57.5(11) . . . . ?
C4B N1 C7A C8A -139.4(9) . . . . ?
C3B N1 C7A C8A 106.6(8) . . . . ?
C9B N1 C7A C8A 41.4(15) . . . . ?
C2A N1 C7A C8A -171.9(7) . . . . ?
C1B N1 C7A C8A 76.7(11) . . . . ?
Dy1 N1 C7A C8A -34.0(9) . . . . ?
N1 C7A C8A N4 53.2(10) . . . . ?
C10B N4 C8A C7A 61.3(18) . . . . ?
C10A N4 C8A C7A -164.7(8) . . . . ?
C12A N4 C8A C7A 73.4(8) . . . . ?
C8B N4 C8A C7A -151.4(9) . . . . ?
C12B N4 C8A C7A 100.2(10) . . . . ?
Dy1 N4 C8A C7A -43.4(8) . . . . ?
C1C N2 C9A C10A -124.5(12) . . . . ?
C4A N2 C9A C10A 71.8(10) . . . . ?
C1D N2 C9A C10A -146.5(13) . . . . ?
C3A N2 C9A C10A -166.2(8) . . . . ?
C7B N2 C9A C10A 63.4(15) . . . . ?
C2B N2 C9A C10A 109.0(9) . . . . ?
Dy1 N2 C9A C10A -46.2(8) . . . . ?
C10B N4 C10A C9A 106.2(11) . . . . ?
C12A N4 C10A C9A -159.0(7) . . . . ?
C8A N4 C10A C9A 83.2(10) . . . . ?
C8B N4 C10A C9A 49(2) . . . . ?
C12B N4 C10A C9A -142.7(10) . . . . ?
Dy1 N4 C10A C9A -35.4(9) . . . . ?
N2 C9A C10A N4 57.2(11) . . . . ?
C6B N3 C11A C12A 110.9(14) . . . . ?
C5A N3 C11A C12A -173.6(10) . . . . ?
C11B N3 C11A C12A 86(8) . . . . ?
C6A N3 C11A C12A 68.9(14) . . . . ?
C5B N3 C11A C12A -137.1(13) . . . . ?
Dy1 N3 C11A C12A -37.8(15) . . . . ?
N3 C11A C12A N4 57.9(15) . . . . ?
C10B N4 C12A C11A -154.5(11) . . . . ?
C10A N4 C12A C11A 80.1(11) . . . . ?
C8A N4 C12A C11A -159.9(9) . . . . ?
C8B N4 C12A C11A 94.8(13) . . . . ?
C12B N4 C12A C11A 52.4(10) . . . . ?
Dy1 N4 C12A C11A -44.7(9) . . . . ?
C4A N2 C1C Dy1 -100.1(16) . . . . ?
C9A N2 C1C Dy1 108.8(4) . . . . ?
C1D N2 C1C Dy1 -179(4) . . . . ?
C3A N2 C1C Dy1 -141.9(14) . . . . ?
C7B N2 C1C Dy1 113.2(8) . . . . ?
C2B N2 C1C Dy1 -119.3(6) . . . . ?
N1 Dy1 C1C N2 -133.5(8) . . . . ?
N3 Dy1 C1C N2 -12.9(12) . . . . ?
N4 Dy1 C1C N2 -65.1(8) . . . . ?
C1A Dy1 C1C N2 -148.8(10) . . . . ?
Dy1 Dy1 C1C N2 113.1(8) 2_656 . . . ?
C1C N2 C7B C8B -54.4(15) . . . . ?
C4A N2 C7B C8B 142.6(10) . . . . ?
C9A N2 C7B C8B -45.1(13) . . . . ?
C1D N2 C7B C8B -77.2(14) . . . . ?
C3A N2 C7B C8B -105.2(10) . . . . ?
C2B N2 C7B C8B 172.0(9) . . . . ?
Dy1 N2 C7B C8B 37.1(11) . . . . ?
N2 C7B C8B N4 -56.1(12) . . . . ?
C10B N4 C8B C7B 168.5(11) . . . . ?
C10A N4 C8B C7B -59(2) . . . . ?
C12A N4 C8B C7B -94.3(12) . . . . ?
C8A N4 C8B C7B 153.8(10) . . . . ?
C12B N4 C8B C7B -69.9(11) . . . . ?
Dy1 N4 C8B C7B 45.9(10) . . . . ?
C1A N1 C9B C10B 126.0(11) . . . . ?
C4B N1 C9B C10B -68.9(12) . . . . ?
C7A N1 C9B C10B -68.0(18) . . . . ?
C3B N1 C9B C10B 167.1(9) . . . . ?
C2A N1 C9B C10B -109.7(10) . . . . ?
C1B N1 C9B C10B 144.6(12) . . . . ?
Dy1 N1 C9B C10B 47.1(10) . . . . ?
C10A N4 C10B C9B -103.0(11) . . . . ?
C12A N4 C10B C9B 145.8(10) . . . . ?
C8A N4 C10B C9B -46.0(15) . . . . ?
C8B N4 C10B C9B -81.5(11) . . . . ?
C12B N4 C10B C9B 162.9(9) . . . . ?
Dy1 N4 C10B C9B 38.5(11) . . . . ?
N1 C9B C10B N4 -60.3(13) . . . . ?
C6B N3 C11B C12B 170.2(15) . . . . ?
C5A N3 C11B C12B -118.0(17) . . . . ?
C11A N3 C11B C12B -32(6) . . . . ?
C6A N3 C11B C12B 131.7(17) . . . . ?
C5B N3 C11B C12B -76.5(19) . . . . ?
Dy1 N3 C11B C12B 30(2) . . . . ?
C10B N4 C12B C11B -82.9(15) . . . . ?
C10A N4 C12B C11B 152.0(15) . . . . ?
C12A N4 C12B C11B -53.8(13) . . . . ?
C8A N4 C12B C11B -100.3(15) . . . . ?
C8B N4 C12B C11B 156.6(15) . . . . ?
Dy1 N4 C12B C11B 42.6(15) . . . . ?
N3 C11B C12B N4 -49(2) . . . . ?
C29 B1 C13 C14 -155.8(2) . . . . ?
C21 B1 C13 C14 83.0(3) . . . . ?
C37 B1 C13 C14 -37.4(3) . . . . ?
C29 B1 C13 C18 28.9(3) . . . . ?
C21 B1 C13 C18 -92.2(3) . . . . ?
C37 B1 C13 C18 147.3(2) . . . . ?
C18 C13 C14 C15 -1.8(4) . . . . ?
B1 C13 C14 C15 -177.3(2) . . . . ?
C13 C14 C15 C16 1.6(4) . . . . ?
C13 C14 C15 C19 -178.8(3) . . . . ?
C14 C15 C16 C17 -0.2(4) . . . . ?
C19 C15 C16 C17 -179.8(3) . . . . ?
C15 C16 C17 C18 -0.8(4) . . . . ?
C15 C16 C17 C20 176.6(3) . . . . ?
C16 C17 C18 C13 0.6(4) . . . . ?
C20 C17 C18 C13 -176.8(3) . . . . ?
C14 C13 C18 C17 0.7(4) . . . . ?
B1 C13 C18 C17 176.3(2) . . . . ?
C16 C15 C19 F2 0.5(4) . . . . ?
C14 C15 C19 F2 -179.1(3) . . . . ?
C16 C15 C19 F1 -122.2(3) . . . . ?
C14 C15 C19 F1 58.2(4) . . . . ?
C16 C15 C19 F3 120.0(3) . . . . ?
C14 C15 C19 F3 -59.6(4) . . . . ?
C16 C17 C20 F5B -0.8(19) . . . . ?
C18 C17 C20 F5B 176.6(19) . . . . ?
C16 C17 C20 F6A -82.0(6) . . . . ?
C18 C17 C20 F6A 95.5(5) . . . . ?
C16 C17 C20 F4A 155.4(5) . . . . ?
C18 C17 C20 F4A -27.2(6) . . . . ?
C16 C17 C20 F4B 125.0(16) . . . . ?
C18 C17 C20 F4B -57.6(16) . . . . ?
C16 C17 C20 F5A 36.5(5) . . . . ?
C18 C17 C20 F5A -146.0(4) . . . . ?
C16 C17 C20 F6B -123(2) . . . . ?
C18 C17 C20 F6B 55(2) . . . . ?
C13 B1 C21 C26 165.1(2) . . . . ?
C29 B1 C21 C26 45.7(3) . . . . ?
C37 B1 C21 C26 -72.5(3) . . . . ?
C13 B1 C21 C22 -17.6(3) . . . . ?
C29 B1 C21 C22 -137.0(3) . . . . ?
C37 B1 C21 C22 104.8(3) . . . . ?
C26 C21 C22 C23 1.4(4) . . . . ?
B1 C21 C22 C23 -176.1(2) . . . . ?
C21 C22 C23 C24 0.2(4) . . . . ?
C21 C22 C23 C27 179.8(3) . . . . ?
C22 C23 C24 C25 -0.9(4) . . . . ?
C27 C23 C24 C25 179.6(3) . . . . ?
C23 C24 C25 C26 -0.2(4) . . . . ?
C23 C24 C25 C28 -179.3(3) . . . . ?
C24 C25 C26 C21 2.0(4) . . . . ?
C28 C25 C26 C21 -179.0(3) . . . . ?
C22 C21 C26 C25 -2.5(4) . . . . ?
B1 C21 C26 C25 175.0(2) . . . . ?
C24 C23 C27 F7 -109.1(3) . . . . ?
C22 C23 C27 F7 71.4(4) . . . . ?
C24 C23 C27 F9 13.4(4) . . . . ?
C22 C23 C27 F9 -166.1(3) . . . . ?
C24 C23 C27 F8 132.4(3) . . . . ?
C22 C23 C27 F8 -47.1(4) . . . . ?
C26 C25 C28 F12 167.2(3) . . . . ?
C24 C25 C28 F12 -13.8(4) . . . . ?
C26 C25 C28 F10 -71.2(4) . . . . ?
C24 C25 C28 F10 107.9(3) . . . . ?
C26 C25 C28 F11 47.0(4) . . . . ?
C24 C25 C28 F11 -133.9(3) . . . . ?
C13 B1 C29 C30 81.0(3) . . . . ?
C21 B1 C29 C30 -159.1(2) . . . . ?
C37 B1 C29 C30 -40.2(3) . . . . ?
C13 B1 C29 C34 -92.5(3) . . . . ?
C21 B1 C29 C34 27.4(4) . . . . ?
C37 B1 C29 C34 146.3(3) . . . . ?
C34 C29 C30 C31 0.5(4) . . . . ?
B1 C29 C30 C31 -173.4(3) . . . . ?
C29 C30 C31 C32 -0.2(4) . . . . ?
C29 C30 C31 C35 -176.9(3) . . . . ?
C30 C31 C32 C33 -0.2(4) . . . . ?
C35 C31 C32 C33 176.5(3) . . . . ?
C31 C32 C33 C34 0.3(4) . . . . ?
C31 C32 C33 C36 179.5(3) . . . . ?
C32 C33 C34 C29 0.0(4) . . . . ?
C36 C33 C34 C29 -179.2(3) . . . . ?
C30 C29 C34 C33 -0.4(4) . . . . ?
B1 C29 C34 C33 173.5(3) . . . . ?
C32 C31 C35 F15 31.4(4) . . . . ?
C30 C31 C35 F15 -151.9(3) . . . . ?
C32 C31 C35 F13 153.6(3) . . . . ?
C30 C31 C35 F13 -29.6(4) . . . . ?
C32 C31 C35 F14 -88.2(3) . . . . ?
C30 C31 C35 F14 88.5(3) . . . . ?
C32 C33 C36 F18 -99.2(3) . . . . ?
C34 C33 C36 F18 80.1(4) . . . . ?
C32 C33 C36 F17 21.1(5) . . . . ?
C34 C33 C36 F17 -159.6(3) . . . . ?
C32 C33 C36 F16 141.7(3) . . . . ?
C34 C33 C36 F16 -39.0(4) . . . . ?
C13 B1 C37 C38 -25.1(3) . . . . ?
C29 B1 C37 C38 93.8(3) . . . . ?
C21 B1 C37 C38 -145.8(2) . . . . ?
C13 B1 C37 C42 158.8(2) . . . . ?
C29 B1 C37 C42 -82.3(3) . . . . ?
C21 B1 C37 C42 38.1(3) . . . . ?
C42 C37 C38 C39 -1.9(4) . . . . ?
B1 C37 C38 C39 -178.3(2) . . . . ?
C37 C38 C39 C40 1.9(4) . . . . ?
C37 C38 C39 C43 -173.7(3) . . . . ?
C38 C39 C40 C41 -0.1(4) . . . . ?
C43 C39 C40 C41 175.6(3) . . . . ?
C39 C40 C41 C42 -1.4(4) . . . . ?
C39 C40 C41 C44 179.8(3) . . . . ?
C40 C41 C42 C37 1.3(4) . . . . ?
C44 C41 C42 C37 -179.9(3) . . . . ?
C38 C37 C42 C41 0.4(4) . . . . ?
B1 C37 C42 C41 176.8(3) . . . . ?
C40 C39 C43 F21 157.2(3) . . . . ?
C38 C39 C43 F21 -27.0(4) . . . . ?
C40 C39 C43 F20 35.4(4) . . . . ?
C38 C39 C43 F20 -148.9(3) . . . . ?
C40 C39 C43 F19 -83.0(4) . . . . ?
C38 C39 C43 F19 92.7(3) . . . . ?
C42 C41 C44 F22B 134.5(12) . . . . ?
C40 C41 C44 F22B -46.7(12) . . . . ?
C42 C41 C44 F23B -13.9(12) . . . . ?
C40 C41 C44 F23B 164.9(11) . . . . ?
C42 C41 C44 F24A -72.9(6) . . . . ?
C40 C41 C44 F24A 105.9(5) . . . . ?
C42 C41 C44 F22A 161.6(3) . . . . ?
C40 C41 C44 F22A -19.5(5) . . . . ?
C42 C41 C44 F23A 46.3(4) . . . . ?
C40 C41 C44 F23A -134.9(3) . . . . ?
C42 C41 C44 F24B -119.8(5) . . . . ?
C40 C41 C44 F24B 59.0(6) . . . . ?
C47 O1 C46 C45 -179.9(4) . . . . ?
C46 O1 C47 C48 178.6(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.912
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.368
_refine_diff_density_min         -1.271
_refine_diff_density_rms         0.087



