 
data_c:\x-seed\co2dy2~1\p-1 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C46 H56 Cl4 Co2 Dy2 N4 O20' 
_chemical_formula_weight          1569.61 
 
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' 
 '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' 
 'Co'  'Co'   0.3494   0.9721 
 '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' 
 'Cl'  'Cl'   0.1484   0.1585 
 '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 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    10.417(2) 
_cell_length_b                    11.400(2) 
_cell_length_c                    11.740(2) 
_cell_angle_alpha                 73.14(3) 
_cell_angle_beta                  89.79(3) 
_cell_angle_gamma                 81.32(3) 
_cell_volume                      1317.8(5) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     100(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        plate 
_exptl_crystal_colour             green 
_exptl_crystal_size_max           0.05
_exptl_crystal_size_mid           0.03 
_exptl_crystal_size_min           0.01 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.978 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              774 
_exptl_absorpt_coefficient_mu     3.705 
_exptl_absorpt_correction_type    'multi-scan' 
_exptl_absorpt_correction_T_min   0.672 
_exptl_absorpt_correction_T_max   0.859 
_exptl_absorpt_process_details    SADABS 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       100(2) 
_diffrn_radiation_wavelength      0.71079 
_diffrn_radiation_type            synchrotron 
_diffrn_radiation_source          '3BM1 dipole' 
_diffrn_radiation_monochromator   'double crystal' 
_diffrn_measurement_device_type   'synchrotron'  
_diffrn_measurement_method        'scans in phi'  
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             15842 
_diffrn_reflns_av_R_equivalents   0.0781 
_diffrn_reflns_av_sigmaI/netI     0.0710 
_diffrn_reflns_limit_h_min        -12 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -13 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          2.20 
_diffrn_reflns_theta_max          24.99 
_reflns_number_total              4232 
_reflns_number_gt                 4159 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Blu-Ice (McPhillips et al, 2002)'  
_computing_cell_refinement        'XDS (Kabsch, 1993)' 
_computing_data_reduction         'XDS (Kabsch, 1993)' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'X-SEED'     
_computing_publication_material   'XCIF V6.12 (BrukerAXS, 2001).'  
 
_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.
The collection was performed at the Australian synchrotron.
The structure was solved by direct methods. The asymmetric unit contains
half the cluster. All non-H atoms are refined anisotropically and the H-atoms 
are placed in calculated positions.  
; 
 
_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)+(0.0426P)²+4.3307P] 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          4232 
_refine_ls_number_parameters      354 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0390 
_refine_ls_R_factor_gt            0.0386 
_refine_ls_wR_factor_ref          0.0970 
_refine_ls_wR_factor_gt           0.0968 
_refine_ls_goodness_of_fit_ref    1.031 
_refine_ls_restrained_S_all       1.031 
_refine_ls_shift/su_max           0.002 
_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 0.534776(17) 0.879749(17) 0.903995(17) 0.01258(11) Uani 1 1 d . . . 
Co1 Co 0.62504(5) 0.83867(5) 1.18076(5) 0.01208(15) Uani 1 1 d . . . 
Cl1 Cl 0.73917(11) 1.22412(11) 1.38344(11) 0.0251(3) Uani 1 1 d . . . 
O1 O 0.6260(3) 0.9755(3) 1.0354(3) 0.0137(6) Uani 1 1 d . . . 
N2 N 0.5688(4) 0.7112(4) 0.7634(4) 0.0201(9) Uani 1 1 d . . . 
N1 N 0.5994(4) 0.7008(4) 1.3215(4) 0.0172(8) Uani 1 1 d . . . 
C1 C 0.7435(5) 1.0228(5) 0.9935(4) 0.0202(10) Uani 1 1 d . . . 
H1A H 0.8167 0.9761 1.0482 0.030 Uiso 1 1 calc R . . 
H1B H 0.7342 1.1107 0.9897 0.030 Uiso 1 1 calc R . . 
H1C H 0.7597 1.0139 0.9139 0.030 Uiso 1 1 calc R . . 
Cl2 Cl 0.91118(12) 0.47434(12) 1.23589(12) 0.0259(3) Uani 1 1 d . . . 
O2 O 0.6608(3) 1.1052(3) 1.2041(3) 0.0159(6) Uani 1 1 d . . . 
C2 C 0.7445(4) 1.0151(4) 1.2549(4) 0.0164(9) Uani 1 1 d . . . 
O3 O 0.7413(3) 0.9016(3) 1.2658(3) 0.0154(6) Uani 1 1 d . . . 
C3 C 0.8697(4) 1.0388(4) 1.3019(4) 0.0166(9) Uani 1 1 d . . . 
O4 O 0.4768(3) 0.9293(3) 1.2277(3) 0.0154(6) Uani 1 1 d . . . 
C4 C 0.8784(5) 1.1328(5) 1.3545(4) 0.0204(10) Uani 1 1 d . . . 
O5 O 0.5199(3) 0.7708(3) 1.0936(3) 0.0152(6) Uani 1 1 d . . . 
C5 C 0.9986(5) 1.1551(5) 1.3875(5) 0.0231(10) Uani 1 1 d . . . 
H5 H 1.0029 1.2192 1.4234 0.028 Uiso 1 1 calc R . . 
O6 O 0.7799(3) 0.7442(3) 1.1457(3) 0.0157(6) Uani 1 1 d . . . 
C6 C 1.1108(5) 1.0848(5) 1.3683(5) 0.0289(12) Uani 1 1 d . . . 
H6 H 1.1929 1.1012 1.3891 0.035 Uiso 1 1 calc R . . 
O7 O 0.7523(3) 0.7792(3) 0.9479(3) 0.0196(7) Uani 1 1 d . . . 
C7 C 1.1036(5) 0.9887(5) 1.3176(5) 0.0259(11) Uani 1 1 d . . . 
H7 H 1.1810 0.9390 1.3051 0.031 Uiso 1 1 calc R . . 
O8 O 0.5304(3) 0.6791(3) 0.8693(3) 0.0221(7) Uani 1 1 d . . . 
C8 C 0.9847(5) 0.9660(5) 1.2861(5) 0.0214(10) Uani 1 1 d . . . 
H8 H 0.9809 0.8997 1.2530 0.026 Uiso 1 1 calc R . . 
O9 O 0.5969(3) 0.8203(3) 0.7245(3) 0.0222(7) Uani 1 1 d . . . 
C9 C 0.4727(5) 0.8857(4) 1.3531(4) 0.0175(9) Uani 1 1 d . . . 
H9A H 0.3897 0.9213 1.3802 0.021 Uiso 1 1 calc R . . 
H9B H 0.5453 0.9096 1.3912 0.021 Uiso 1 1 calc R . . 
O10 O 0.5761(4) 0.6416(4) 0.7007(4) 0.0362(10) Uani 1 1 d . . . 
C10 C 0.4848(5) 0.7463(5) 1.3853(5) 0.0213(10) Uani 1 1 d . . . 
H10A H 0.4990 0.7093 1.4725 0.026 Uiso 1 1 calc R . . 
H10B H 0.4044 0.7225 1.3602 0.026 Uiso 1 1 calc R . . 
C11 C 0.5697(5) 0.6015(4) 1.2699(4) 0.0181(9) Uani 1 1 d . . . 
H11A H 0.5301 0.5385 1.3302 0.022 Uiso 1 1 calc R . . 
H11B H 0.6508 0.5597 1.2452 0.022 Uiso 1 1 calc R . . 
C12 C 0.4760(5) 0.6618(5) 1.1627(4) 0.0208(10) Uani 1 1 d . . . 
H12A H 0.4727 0.6040 1.1145 0.025 Uiso 1 1 calc R . . 
H12B H 0.3876 0.6826 1.1896 0.025 Uiso 1 1 calc R . . 
C13 C 0.7174(4) 0.6551(4) 1.4050(4) 0.0183(9) Uani 1 1 d . . . 
H13A H 0.7226 0.7150 1.4506 0.022 Uiso 1 1 calc R . . 
H13B H 0.7957 0.6536 1.3572 0.022 Uiso 1 1 calc R . . 
C14 C 0.7193(5) 0.5269(5) 1.4925(5) 0.0223(10) Uani 1 1 d . . . 
H14A H 0.7240 0.4642 1.4488 0.027 Uiso 1 1 calc R . . 
H14B H 0.6385 0.5248 1.5372 0.027 Uiso 1 1 calc R . . 
C15 C 0.8368(5) 0.4970(5) 1.5787(5) 0.0269(11) Uani 1 1 d . . . 
H15A H 0.8183 0.5429 1.6383 0.032 Uiso 1 1 calc R . . 
H15B H 0.9121 0.5266 1.5340 0.032 Uiso 1 1 calc R . . 
C16 C 0.8730(6) 0.3590(5) 1.6439(5) 0.0303(12) Uani 1 1 d . . . 
H16A H 0.8051 0.3320 1.6991 0.045 Uiso 1 1 calc R . . 
H16B H 0.9560 0.3445 1.6886 0.045 Uiso 1 1 calc R . . 
H16C H 0.8810 0.3117 1.5858 0.045 Uiso 1 1 calc R . . 
C17 C 0.8159(5) 0.7352(4) 1.0443(4) 0.0161(9) Uani 1 1 d . . . 
C18 C 0.9535(4) 0.6684(4) 1.0441(4) 0.0176(10) Uani 1 1 d . . . 
C19 C 1.0048(5) 0.5552(5) 1.1242(5) 0.0215(10) Uani 1 1 d . . . 
C20 C 1.1316(5) 0.4992(5) 1.1169(5) 0.0234(11) Uani 1 1 d . . . 
H20 H 1.1639 0.4195 1.1694 0.028 Uiso 1 1 calc R . . 
C21 C 1.2097(5) 0.5606(5) 1.0328(5) 0.0238(11) Uani 1 1 d . . . 
H21 H 1.2973 0.5242 1.0289 0.029 Uiso 1 1 calc R . . 
C22 C 1.1620(5) 0.6741(5) 0.9544(5) 0.0238(11) Uani 1 1 d . . . 
H22 H 1.2168 0.7167 0.8974 0.029 Uiso 1 1 calc R . . 
C23 C 1.0338(5) 0.7263(5) 0.9586(5) 0.0216(10) Uani 1 1 d . . . 
H23 H 1.0003 0.8030 0.9018 0.026 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 O5 2.230(3) . ? 
Dy1 O4 2.261(3) 2_677 ? 
Dy1 O2 2.362(3) 2_677 ? 
Dy1 O7 2.366(3) . ? 
Dy1 O1 2.403(3) . ? 
Dy1 O1 2.424(3) 2_677 ? 
Dy1 O8 2.443(3) . ? 
Dy1 O9 2.451(3) . ? 
Co1 O5 1.889(3) . ? 
Co1 O4 1.897(3) . ? 
Co1 O6 1.913(3) . ? 
Co1 O3 1.914(3) . ? 
Co1 O1 1.951(3) . ? 
Co1 N1 1.972(4) . ? 
Co1 Dy1 3.2575(13) 2_677 ? 
Cl1 C4 1.746(5) . ? 
O1 C1 1.440(6) . ? 
O1 Dy1 2.423(3) 2_677 ? 
N2 O10 1.224(6) . ? 
N2 O9 1.273(6) . ? 
N2 O8 1.272(6) . ? 
N1 C11 1.500(6) . ? 
N1 C13 1.504(6) . ? 
N1 C10 1.512(6) . ? 
C1 H1A 0.9800 . ? 
C1 H1B 0.9800 . ? 
C1 H1C 0.9800 . ? 
Cl2 C19 1.756(5) . ? 
O2 C2 1.245(6) . ? 
O2 Dy1 2.362(3) 2_677 ? 
C2 O3 1.269(6) . ? 
C2 C3 1.509(6) . ? 
C3 C8 1.396(7) . ? 
C3 C4 1.396(7) . ? 
O4 C9 1.414(6) . ? 
O4 Dy1 2.261(3) 2_677 ? 
C4 C5 1.393(7) . ? 
O5 C12 1.412(6) . ? 
C5 C6 1.371(8) . ? 
C5 H5 0.9500 . ? 
O6 C17 1.274(6) . ? 
C6 C7 1.401(8) . ? 
C6 H6 0.9500 . ? 
O7 C17 1.243(6) . ? 
C7 C8 1.376(7) . ? 
C7 H7 0.9500 . ? 
C8 H8 0.9500 . ? 
C9 C10 1.508(7) . ? 
C9 H9A 0.9900 . ? 
C9 H9B 0.9900 . ? 
C10 H10A 0.9900 . ? 
C10 H10B 0.9900 . ? 
C11 C12 1.521(7) . ? 
C11 H11A 0.9900 . ? 
C11 H11B 0.9900 . ? 
C12 H12A 0.9900 . ? 
C12 H12B 0.9900 . ? 
C13 C14 1.520(7) . ? 
C13 H13A 0.9900 . ? 
C13 H13B 0.9900 . ? 
C14 C15 1.524(7) . ? 
C14 H14A 0.9900 . ? 
C14 H14B 0.9900 . ? 
C15 C16 1.526(8) . ? 
C15 H15A 0.9900 . ? 
C15 H15B 0.9900 . ? 
C16 H16A 0.9800 . ? 
C16 H16B 0.9800 . ? 
C16 H16C 0.9800 . ? 
C17 C18 1.519(6) . ? 
C18 C23 1.385(7) . ? 
C18 C19 1.388(8) . ? 
C19 C20 1.391(7) . ? 
C20 C21 1.375(8) . ? 
C20 H20 0.9500 . ? 
C21 C22 1.375(8) . ? 
C21 H21 0.9500 . ? 
C22 C23 1.384(7) . ? 
C22 H22 0.9500 . ? 
C23 H23 0.9500 . ? 
 
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 
O5 Dy1 O4 146.23(11) . 2_677 ? 
O5 Dy1 O2 109.90(11) . 2_677 ? 
O4 Dy1 O2 78.74(11) 2_677 2_677 ? 
O5 Dy1 O7 80.02(12) . . ? 
O4 Dy1 O7 111.65(12) 2_677 . ? 
O2 Dy1 O7 145.84(11) 2_677 . ? 
O5 Dy1 O1 69.42(11) . . ? 
O4 Dy1 O1 83.16(11) 2_677 . ? 
O2 Dy1 O1 140.18(10) 2_677 . ? 
O7 Dy1 O1 73.95(11) . . ? 
O5 Dy1 O1 80.79(11) . 2_677 ? 
O4 Dy1 O1 70.47(11) 2_677 2_677 ? 
O2 Dy1 O1 73.02(11) 2_677 2_677 ? 
O7 Dy1 O1 140.96(11) . 2_677 ? 
O1 Dy1 O1 67.55(12) . 2_677 ? 
O5 Dy1 O8 82.91(12) . . ? 
O4 Dy1 O8 129.96(12) 2_677 . ? 
O2 Dy1 O8 72.42(11) 2_677 . ? 
O7 Dy1 O8 76.75(12) . . ? 
O1 Dy1 O8 142.47(11) . . ? 
O1 Dy1 O8 133.63(11) 2_677 . ? 
O5 Dy1 O9 133.01(12) . . ? 
O4 Dy1 O9 80.65(12) 2_677 . ? 
O2 Dy1 O9 73.72(11) 2_677 . ? 
O7 Dy1 O9 76.07(12) . . ? 
O1 Dy1 O9 137.47(11) . . ? 
O1 Dy1 O9 139.31(11) 2_677 . ? 
O8 Dy1 O9 52.60(12) . . ? 
O5 Co1 O4 91.42(13) . . ? 
O5 Co1 O6 91.83(14) . . ? 
O4 Co1 O6 175.60(14) . . ? 
O5 Co1 O3 176.27(14) . . ? 
O4 Co1 O3 92.31(13) . . ? 
O6 Co1 O3 84.45(14) . . ? 
O5 Co1 O1 86.95(13) . . ? 
O4 Co1 O1 89.36(14) . . ? 
O6 Co1 O1 93.78(14) . . ? 
O3 Co1 O1 93.04(14) . . ? 
O5 Co1 N1 86.95(15) . . ? 
O4 Co1 N1 86.06(15) . . ? 
O6 Co1 N1 91.14(15) . . ? 
O3 Co1 N1 93.36(15) . . ? 
O1 Co1 N1 172.28(14) . . ? 
O5 Co1 Dy1 96.50(10) . 2_677 ? 
O4 Co1 Dy1 42.59(10) . 2_677 ? 
O6 Co1 Dy1 139.76(10) . 2_677 ? 
O3 Co1 Dy1 86.22(10) . 2_677 ? 
O1 Co1 Dy1 47.76(9) . 2_677 ? 
N1 Co1 Dy1 128.48(12) . 2_677 ? 
C1 O1 Co1 121.9(3) . . ? 
C1 O1 Dy1 113.2(3) . . ? 
Co1 O1 Dy1 96.65(12) . . ? 
C1 O1 Dy1 114.7(3) . 2_677 ? 
Co1 O1 Dy1 95.66(13) . 2_677 ? 
Dy1 O1 Dy1 112.45(12) . 2_677 ? 
O10 N2 O9 121.4(4) . . ? 
O10 N2 O8 121.7(5) . . ? 
O9 N2 O8 116.9(4) . . ? 
C11 N1 C13 110.9(4) . . ? 
C11 N1 C10 111.4(4) . . ? 
C13 N1 C10 110.1(4) . . ? 
C11 N1 Co1 103.9(3) . . ? 
C13 N1 Co1 112.8(3) . . ? 
C10 N1 Co1 107.6(3) . . ? 
O1 C1 H1A 109.5 . . ? 
O1 C1 H1B 109.5 . . ? 
H1A C1 H1B 109.5 . . ? 
O1 C1 H1C 109.5 . . ? 
H1A C1 H1C 109.5 . . ? 
H1B C1 H1C 109.5 . . ? 
C2 O2 Dy1 132.1(3) . 2_677 ? 
O2 C2 O3 127.0(4) . . ? 
O2 C2 C3 119.0(4) . . ? 
O3 C2 C3 113.9(4) . . ? 
C2 O3 Co1 126.0(3) . . ? 
C8 C3 C4 118.1(4) . . ? 
C8 C3 C2 117.6(4) . . ? 
C4 C3 C2 124.3(4) . . ? 
C9 O4 Co1 107.9(3) . . ? 
C9 O4 Dy1 133.6(3) . 2_677 ? 
Co1 O4 Dy1 102.81(14) . 2_677 ? 
C5 C4 C3 120.9(5) . . ? 
C5 C4 Cl1 117.9(4) . . ? 
C3 C4 Cl1 121.2(4) . . ? 
C12 O5 Co1 113.8(3) . . ? 
C12 O5 Dy1 140.6(3) . . ? 
Co1 O5 Dy1 104.62(14) . . ? 
C6 C5 C4 120.2(5) . . ? 
C6 C5 H5 119.9 . . ? 
C4 C5 H5 119.9 . . ? 
C17 O6 Co1 127.8(3) . . ? 
C5 C6 C7 119.6(5) . . ? 
C5 C6 H6 120.2 . . ? 
C7 C6 H6 120.2 . . ? 
C17 O7 Dy1 131.1(3) . . ? 
C8 C7 C6 120.2(5) . . ? 
C8 C7 H7 119.9 . . ? 
C6 C7 H7 119.9 . . ? 
N2 O8 Dy1 95.4(3) . . ? 
C7 C8 C3 121.0(5) . . ? 
C7 C8 H8 119.5 . . ? 
C3 C8 H8 119.5 . . ? 
N2 O9 Dy1 95.0(3) . . ? 
O4 C9 C10 106.6(4) . . ? 
O4 C9 H9A 110.4 . . ? 
C10 C9 H9A 110.4 . . ? 
O4 C9 H9B 110.4 . . ? 
C10 C9 H9B 110.4 . . ? 
H9A C9 H9B 108.6 . . ? 
N1 C10 C9 107.5(4) . . ? 
N1 C10 H10A 110.2 . . ? 
C9 C10 H10A 110.2 . . ? 
N1 C10 H10B 110.2 . . ? 
C9 C10 H10B 110.2 . . ? 
H10A C10 H10B 108.5 . . ? 
N1 C11 C12 108.3(4) . . ? 
N1 C11 H11A 110.0 . . ? 
C12 C11 H11A 110.0 . . ? 
N1 C11 H11B 110.0 . . ? 
C12 C11 H11B 110.0 . . ? 
H11A C11 H11B 108.4 . . ? 
O5 C12 C11 108.4(4) . . ? 
O5 C12 H12A 110.0 . . ? 
C11 C12 H12A 110.0 . . ? 
O5 C12 H12B 110.0 . . ? 
C11 C12 H12B 110.0 . . ? 
H12A C12 H12B 108.4 . . ? 
N1 C13 C14 114.7(4) . . ? 
N1 C13 H13A 108.6 . . ? 
C14 C13 H13A 108.6 . . ? 
N1 C13 H13B 108.6 . . ? 
C14 C13 H13B 108.6 . . ? 
H13A C13 H13B 107.6 . . ? 
C13 C14 C15 109.3(4) . . ? 
C13 C14 H14A 109.8 . . ? 
C15 C14 H14A 109.8 . . ? 
C13 C14 H14B 109.8 . . ? 
C15 C14 H14B 109.8 . . ? 
H14A C14 H14B 108.3 . . ? 
C14 C15 C16 113.6(5) . . ? 
C14 C15 H15A 108.9 . . ? 
C16 C15 H15A 108.9 . . ? 
C14 C15 H15B 108.9 . . ? 
C16 C15 H15B 108.9 . . ? 
H15A C15 H15B 107.7 . . ? 
C15 C16 H16A 109.5 . . ? 
C15 C16 H16B 109.5 . . ? 
H16A C16 H16B 109.5 . . ? 
C15 C16 H16C 109.5 . . ? 
H16A C16 H16C 109.5 . . ? 
H16B C16 H16C 109.5 . . ? 
O7 C17 O6 126.8(4) . . ? 
O7 C17 C18 118.5(4) . . ? 
O6 C17 C18 114.7(4) . . ? 
C23 C18 C19 118.0(4) . . ? 
C23 C18 C17 117.2(4) . . ? 
C19 C18 C17 124.8(5) . . ? 
C20 C19 C18 121.3(5) . . ? 
C20 C19 Cl2 117.1(4) . . ? 
C18 C19 Cl2 121.5(4) . . ? 
C21 C20 C19 119.2(5) . . ? 
C21 C20 H20 120.4 . . ? 
C19 C20 H20 120.4 . . ? 
C22 C21 C20 120.5(5) . . ? 
C22 C21 H21 119.8 . . ? 
C20 C21 H21 119.8 . . ? 
C21 C22 C23 119.8(5) . . ? 
C21 C22 H22 120.1 . . ? 
C23 C22 H22 120.1 . . ? 
C22 C23 C18 121.1(5) . . ? 
C22 C23 H23 119.4 . . ? 
C18 C23 H23 119.4 . . ? 
 
_diffrn_measured_fraction_theta_max    0.979 
_diffrn_reflns_theta_full              24.99 
_diffrn_measured_fraction_theta_full   0.979 
_refine_diff_density_max    0.877 
_refine_diff_density_min   -1.011 
_refine_diff_density_rms    0.186 
 
data_d:\
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C66 H110 Co2 Dy2 N4 O25' 
_chemical_formula_weight          1802.42 
 
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' 
 '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' 
 'Co'  'Co'   0.3494   0.9721 
 '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' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P21/n 
 
loop_ 
 _symmetry_equiv_pos_as_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                    15.3861(5) 
_cell_length_b                    18.3090(6) 
_cell_length_c                    28.4364(9) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  104.4810(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      7756.2(4) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     123(2) 
_cell_measurement_reflns_used     8765 
_cell_measurement_theta_min       2.10 
_cell_measurement_theta_max       30.32 
 
_exptl_crystal_description        plate 
_exptl_crystal_colour             purple 
_exptl_crystal_size_max           0.4 
_exptl_crystal_size_mid           0.1 
_exptl_crystal_size_min           0.05 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.542 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              3672 
_exptl_absorpt_coefficient_mu     2.400 
_exptl_absorpt_correction_type    'multi-scan' 
_exptl_absorpt_correction_T_min   0.750 
_exptl_absorpt_correction_T_max   0.887 
_exptl_absorpt_process_details    SADABS
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       123(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'APEX X8' 
_diffrn_measurement_method        'scans in phi and omega'  
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             38194 
_diffrn_reflns_av_R_equivalents   0.0321 
_diffrn_reflns_av_sigmaI/netI     0.0730 
_diffrn_reflns_limit_h_min        -21 
_diffrn_reflns_limit_h_max        21 
_diffrn_reflns_limit_k_min        -26 
_diffrn_reflns_limit_k_max        26 
_diffrn_reflns_limit_l_min        -40 
_diffrn_reflns_limit_l_max        40 
_diffrn_reflns_theta_min          1.38 
_diffrn_reflns_theta_max          30.51 
_reflns_number_total              22530 
_reflns_number_gt                 15574 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Bruker Apex2 V2.0'   
_computing_cell_refinement        'Bruker Apex2 V2.0'   
_computing_data_reduction         'Bruker Apex2 V2.0'   
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'X-Seed' 
_computing_publication_material   'CIFTAB'  
 
_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. 
The structure was solved by direct methods. The asymmetric unit contains
the entire cluster, with a nitrate anion and solvent MeOH and H2O molecules.
All non-H atoms are refined anisotropically. The H-atoms are placed in calculated
positions except for the O-H atoms found on the coordinated MeOH ligands, which
were found. Bond (DFIX) restraints were placed on these. The
H-atoms of the solvent water molecules could not be found and are omitted. 
; 
 
_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)+(0.0367P)²+16.4631P] 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          22530 
_refine_ls_number_parameters      920 
_refine_ls_number_restraints      3 
_refine_ls_R_factor_all           0.0824 
_refine_ls_R_factor_gt            0.0466 
_refine_ls_wR_factor_ref          0.1111 
_refine_ls_wR_factor_gt           0.0964 
_refine_ls_goodness_of_fit_ref    1.021 
_refine_ls_restrained_S_all       1.021 
_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 
Dy1 Dy 0.310352(12) 0.512177(11) 0.097951(7) 0.01326(5) Uani 1 1 d . . . 
Dy2 Dy 0.238746(13) 0.491869(12) -0.050194(7) 0.01619(5) Uani 1 1 d . . . 
Co3 Co 0.27057(4) 0.64325(3) 0.01438(2) 0.01369(12) Uani 1 1 d . . . 
Co4 Co 0.25428(4) 0.36215(3) 0.031374(19) 0.01235(11) Uani 1 1 d . . . 
O1 O 0.16519(19) 0.40223(17) -0.01966(10) 0.0177(6) Uani 1 1 d . . . 
O2 O 0.32974(17) 0.44626(16) 0.02658(10) 0.0131(6) Uani 1 1 d . . . 
O3 O 0.20906(18) 0.55347(16) 0.01975(10) 0.0146(6) Uani 1 1 d . . . 
O4 O 0.2973(2) 0.51544(19) -0.12039(11) 0.0253(7) Uani 1 1 d D . . 
O5 O 0.1272(2) 0.44692(19) -0.11991(11) 0.0266(8) Uani 1 1 d D . . 
O6 O 0.21290(18) 0.41788(16) 0.07683(10) 0.0140(6) Uani 1 1 d . . . 
O7 O 0.36323(18) 0.60920(17) 0.06587(10) 0.0166(6) Uani 1 1 d . . . 
O8 O 0.3239(2) 0.59562(17) -0.03028(11) 0.0195(7) Uani 1 1 d . . . 
O9 O 0.17590(19) 0.68273(17) -0.03683(10) 0.0177(6) Uani 1 1 d . . . 
O10 O 0.3983(2) 0.40799(17) 0.12893(11) 0.0208(7) Uani 1 1 d . . . 
O11 O 0.4355(2) 0.54869(18) 0.16474(12) 0.0253(7) Uani 1 1 d . . . 
O12 O 0.22280(19) 0.61200(17) 0.11705(10) 0.0175(6) Uani 1 1 d . . . 
O13 O 0.34578(19) 0.31387(16) 0.07924(10) 0.0159(6) Uani 1 1 d . . . 
O14 O -0.0497(3) 0.4835(2) -0.15997(15) 0.0396(9) Uani 1 1 d . . . 
O15 O 0.29771(18) 0.30183(16) -0.01329(10) 0.0155(6) Uani 1 1 d . . . 
O16 O 0.1374(2) 0.58303(18) -0.08351(11) 0.0226(7) Uani 1 1 d . . . 
O17 O 0.3084(2) 0.38664(18) -0.06896(11) 0.0225(7) Uani 1 1 d . . . 
O18 O -0.1516(2) 0.4608(2) -0.22561(14) 0.0408(10) Uani 1 1 d . . . 
O19 O 0.21438(19) 0.69438(16) 0.05696(10) 0.0164(6) Uani 1 1 d . . . 
O20 O 0.2665(2) 0.48933(18) 0.17178(11) 0.0230(7) Uani 1 1 d D . . 
O21 O 0.5281(3) 0.5211(2) 0.12339(17) 0.0500(12) Uani 1 1 d . . . 
O22 O 0.2639(6) -0.1084(6) 0.1596(5) 0.093(4) Uani 0.50 1 d P A 2 
O23 O 0.5746(3) 0.5377(3) 0.20070(19) 0.0712(16) Uani 1 1 d . . . 
O24 O 0.2936(5) -0.0738(4) 0.1239(2) 0.0309(17) Uani 0.50 1 d P B 1 
O25 O -0.1801(4) 0.4403(3) -0.32820(19) 0.0757(16) Uani 1 1 d . . . 
H25 H -0.1579 0.4574 -0.3012 0.091 Uiso 1 1 calc R . . 
O136 O -0.0142(3) 0.4776(3) -0.22856(18) 0.0716(17) Uani 1 1 d . . . 
N1 N 0.5136(3) 0.5353(3) 0.16211(18) 0.0342(11) Uani 1 1 d . . . 
N7 N -0.0707(3) 0.4742(3) -0.20468(19) 0.0356(11) Uani 1 1 d . . . 
N10 N 0.3488(2) 0.7282(2) 0.01179(13) 0.0187(8) Uani 1 1 d . . . 
N12 N 0.1649(2) 0.2879(2) 0.03835(13) 0.0177(8) Uani 1 1 d . . . 
C1 C 0.1955(3) 0.6706(2) 0.09523(15) 0.0160(8) Uani 1 1 d . . . 
C2 C -0.2106(4) 0.7975(4) -0.2198(2) 0.0534(18) Uani 1 1 d . . . 
H2A H -0.2183 0.8087 -0.1881 0.080 Uiso 1 1 calc R . . 
H2B H -0.2172 0.7458 -0.2254 0.080 Uiso 1 1 calc R . . 
H2C H -0.2550 0.8229 -0.2439 0.080 Uiso 1 1 calc R . . 
C3 C 0.1501(4) 0.3032(3) 0.0876(2) 0.0341(13) Uani 1 1 d . . . 
H3A H 0.0941 0.2814 0.0902 0.041 Uiso 1 1 calc R . . 
H3B H 0.1984 0.2820 0.1125 0.041 Uiso 1 1 calc R . . 
C4 C 0.1472(4) 0.3827(3) 0.0950(2) 0.0372(14) Uani 1 1 d . . . 
H4A H 0.0884 0.4012 0.0785 0.045 Uiso 1 1 calc R . . 
H4B H 0.1572 0.3931 0.1293 0.045 Uiso 1 1 calc R . . 
C5 C 0.0816(3) 0.3016(3) -0.0008(2) 0.0408(15) Uani 1 1 d . . . 
H5A H 0.0569 0.2554 -0.0147 0.049 Uiso 1 1 calc R . . 
H5B H 0.0372 0.3253 0.0130 0.049 Uiso 1 1 calc R . . 
C6 C 0.1347(4) 0.1534(3) 0.0501(2) 0.0353(13) Uani 1 1 d . . . 
H6A H 0.1346 0.1593 0.0840 0.042 Uiso 1 1 calc R . . 
H6B H 0.0739 0.1619 0.0309 0.042 Uiso 1 1 calc R . . 
C7 C 0.1032(5) 0.0191(3) 0.0584(3) 0.0549(18) Uani 1 1 d . . . 
H7A H 0.1147 0.0197 0.0932 0.082 Uiso 1 1 calc R . . 
H7B H 0.1180 -0.0281 0.0479 0.082 Uiso 1 1 calc R . . 
H7C H 0.0409 0.0292 0.0444 0.082 Uiso 1 1 calc R . . 
C8 C 0.3569(4) 0.6507(3) -0.0569(2) 0.0384(14) Uani 1 1 d . . . 
H8A H 0.3073 0.6723 -0.0807 0.046 Uiso 1 1 calc R . . 
H8B H 0.3978 0.6290 -0.0739 0.046 Uiso 1 1 calc R . . 
C11 C 0.1145(3) 0.5548(3) 0.01876(17) 0.0264(11) Uani 1 1 d . . . 
H11A H 0.0940 0.5059 0.0218 0.040 Uiso 1 1 calc R . . 
H11B H 0.0812 0.5755 -0.0114 0.040 Uiso 1 1 calc R . . 
H11C H 0.1057 0.5839 0.0453 0.040 Uiso 1 1 calc R . . 
C12 C 0.4210(3) 0.4375(3) 0.0247(2) 0.0351(13) Uani 1 1 d . . . 
H12I H 0.4471 0.4846 0.0224 0.053 Uiso 1 1 calc R . . 
H12J H 0.4234 0.4088 -0.0031 0.053 Uiso 1 1 calc R . . 
H12K H 0.4539 0.4133 0.0537 0.053 Uiso 1 1 calc R . . 
C13 C 0.2535(4) 0.5518(4) -0.1647(2) 0.0445(16) Uani 1 1 d . . . 
H13D H 0.1903 0.5419 -0.1722 0.067 Uiso 1 1 calc R . . 
H13E H 0.2777 0.5344 -0.1907 0.067 Uiso 1 1 calc R . . 
H13F H 0.2633 0.6035 -0.1610 0.067 Uiso 1 1 calc R . . 
C14 C 0.2998(3) 0.7979(3) -0.00288(17) 0.0239(10) Uani 1 1 d . . . 
H14A H 0.2539 0.8025 0.0149 0.029 Uiso 1 1 calc R . . 
H14B H 0.2695 0.7947 -0.0371 0.029 Uiso 1 1 calc R . . 
C15 C 0.4058(3) 0.7342(3) 0.06267(17) 0.0250(10) Uani 1 1 d . . . 
H15A H 0.3718 0.7569 0.0832 0.030 Uiso 1 1 calc R . . 
H15B H 0.4580 0.7642 0.0633 0.030 Uiso 1 1 calc R . . 
C16 C 0.4351(3) 0.6587(3) 0.08138(17) 0.0242(10) Uani 1 1 d . . . 
H16A H 0.4858 0.6433 0.0693 0.029 Uiso 1 1 calc R . . 
H16B H 0.4538 0.6594 0.1166 0.029 Uiso 1 1 calc R . . 
C17 C -0.1248(5) 0.3821(4) -0.3378(4) 0.084(3) Uani 1 1 d . . . 
H17A H -0.1182 0.3864 -0.3704 0.126 Uiso 1 1 calc R . . 
H17B H -0.1522 0.3360 -0.3341 0.126 Uiso 1 1 calc R . . 
H17C H -0.0667 0.3847 -0.3154 0.126 Uiso 1 1 calc R . . 
C18 C 0.4040(3) 0.7077(3) -0.02305(19) 0.0280(11) Uani 1 1 d . . . 
H18A H 0.4136 0.7504 -0.0413 0.034 Uiso 1 1 calc R . . 
H18B H 0.4621 0.6896 -0.0051 0.034 Uiso 1 1 calc R . . 
C20 C 0.1346(4) 0.3879(4) -0.1515(2) 0.0491(17) Uani 1 1 d . . . 
H20A H 0.1967 0.3789 -0.1498 0.074 Uiso 1 1 calc R . . 
H20B H 0.1037 0.4002 -0.1842 0.074 Uiso 1 1 calc R . . 
H20C H 0.1082 0.3448 -0.1417 0.074 Uiso 1 1 calc R . . 
C21 C 0.3551(5) 1.0045(3) -0.0014(3) 0.0553(19) Uani 1 1 d . . . 
H21A H 0.3756 1.0113 0.0331 0.083 Uiso 1 1 calc R . . 
H21B H 0.3180 1.0451 -0.0154 0.083 Uiso 1 1 calc R . . 
H21C H 0.4058 1.0016 -0.0153 0.083 Uiso 1 1 calc R . . 
C23 C 0.1946(3) 0.2105(3) 0.03739(19) 0.0266(11) Uani 1 1 d . . . 
H23A H 0.2534 0.2059 0.0597 0.032 Uiso 1 1 calc R . . 
H23B H 0.2014 0.2001 0.0051 0.032 Uiso 1 1 calc R . . 
C24 C -0.1082(5) 0.9038(3) -0.2147(2) 0.0549(19) Uani 1 1 d . . . 
H24A H -0.1155 0.9151 -0.1829 0.082 Uiso 1 1 calc R . . 
H24B H -0.1537 0.9283 -0.2388 0.082 Uiso 1 1 calc R . . 
H24C H -0.0500 0.9197 -0.2171 0.082 Uiso 1 1 calc R . . 
C25 C 0.3145(3) 0.3222(2) -0.05257(14) 0.0157(8) Uani 1 1 d . . . 
C26 C 0.4028(3) 0.3447(2) 0.11380(14) 0.0144(8) Uani 1 1 d . . . 
C27 C 0.4839(3) 0.2994(2) 0.13592(15) 0.0161(8) Uani 1 1 d . . . 
C28 C 0.3452(3) 0.2641(2) -0.08191(15) 0.0162(9) Uani 1 1 d . . . 
C29 C 0.1331(3) 0.6499(2) -0.07475(15) 0.0171(9) Uani 1 1 d . . . 
C30 C 0.0703(3) 0.6962(2) -0.11260(15) 0.0155(8) Uani 1 1 d . . . 
C31 C 0.4982(3) 0.2330(3) 0.11638(17) 0.0224(10) Uani 1 1 d . . . 
H31 H 0.4545 0.2139 0.0906 0.027 Uiso 1 1 calc R . . 
C33 C 0.1006(4) 0.3473(4) -0.0386(2) 0.0459(17) Uani 1 1 d . . . 
H33A H 0.1226 0.3170 -0.0611 0.055 Uiso 1 1 calc R . . 
H33B H 0.0454 0.3703 -0.0565 0.055 Uiso 1 1 calc R . . 
C34 C 0.1598(5) 0.0765(3) 0.0424(3) 0.0537(18) Uani 1 1 d . . . 
H34A H 0.2220 0.0690 0.0598 0.064 Uiso 1 1 calc R . . 
H34B H 0.1558 0.0696 0.0081 0.064 Uiso 1 1 calc R . . 
C36 C -0.1166(3) 0.8213(3) -0.22296(18) 0.0295(11) Uani 1 1 d . . . 
C37 C 0.3011(4) 0.9344(3) -0.0118(2) 0.0373(13) Uani 1 1 d . . . 
H37A H 0.2523 0.9365 0.0041 0.045 Uiso 1 1 calc R . . 
H37B H 0.2750 0.9307 -0.0465 0.045 Uiso 1 1 calc R . . 
C40 C 0.1330(3) 0.7197(2) 0.11337(15) 0.0160(8) Uani 1 1 d . . . 
C41 C 0.4005(3) 0.1554(3) -0.13820(17) 0.0220(10) Uani 1 1 d . . . 
C42 C 0.0089(3) 0.8118(3) 0.14329(17) 0.0217(10) Uani 1 1 d . . . 
C43 C 0.2983(5) 0.4344(3) 0.2077(2) 0.0476(16) Uani 1 1 d . . . 
H43A H 0.2705 0.3885 0.1965 0.071 Uiso 1 1 calc R . . 
H43B H 0.2835 0.4479 0.2374 0.071 Uiso 1 1 calc R . . 
H43C H 0.3623 0.4299 0.2134 0.071 Uiso 1 1 calc R . . 
C44 C -0.1044(4) 0.8044(3) -0.27363(18) 0.0432(15) Uani 1 1 d . . . 
H44A H -0.1478 0.8313 -0.2975 0.065 Uiso 1 1 calc R . . 
H44B H -0.1127 0.7531 -0.2800 0.065 Uiso 1 1 calc R . . 
H44C H -0.0450 0.8183 -0.2752 0.065 Uiso 1 1 calc R . . 
C45 C -0.0397(3) 0.7036(3) -0.18913(16) 0.0212(10) Uani 1 1 d . . . 
H45 H -0.0743 0.6806 -0.2166 0.025 Uiso 1 1 calc R . . 
C46 C 0.0057(3) 0.8116(3) -0.14264(16) 0.0200(9) Uani 1 1 d . . . 
H46 H 0.0027 0.8619 -0.1388 0.024 Uiso 1 1 calc R . . 
C47 C 0.0635(3) 0.7705(3) -0.10692(16) 0.0198(9) Uani 1 1 d . . . 
H47 H 0.0976 0.7932 -0.0792 0.024 Uiso 1 1 calc R . . 
C48 C 0.0185(3) 0.6624(2) -0.15431(15) 0.0172(9) Uani 1 1 d . . . 
H48 H 0.0232 0.6123 -0.1586 0.021 Uiso 1 1 calc R . . 
C49 C 0.7307(3) 0.1779(3) 0.19577(17) 0.0223(10) Uani 1 1 d . . . 
C50 C 0.3865(3) 0.2273(3) -0.15449(16) 0.0201(9) Uani 1 1 d . . . 
H50 H 0.3956 0.2394 -0.1847 0.024 Uiso 1 1 calc R . . 
C52 C 0.6436(3) 0.2198(3) 0.17392(16) 0.0181(9) Uani 1 1 d . . . 
C53 C 0.6272(3) 0.2861(3) 0.19396(17) 0.0240(10) Uani 1 1 d . . . 
H53 H 0.6695 0.3042 0.2207 0.029 Uiso 1 1 calc R . . 
C54 C -0.0481(3) 0.7786(3) -0.18421(16) 0.0200(9) Uani 1 1 d . . . 
C56 C 0.3592(3) 0.1932(3) -0.06493(17) 0.0233(10) Uani 1 1 d . . . 
H56 H 0.3504 0.1814 -0.0347 0.028 Uiso 1 1 calc R . . 
C59 C 0.3596(3) 0.2811(3) -0.12732(15) 0.0182(9) Uani 1 1 d . . . 
H59 H 0.3511 0.3287 -0.1391 0.022 Uiso 1 1 calc R . . 
C60 C 0.0970(3) 0.7817(3) 0.08635(16) 0.0225(10) Uani 1 1 d . . . 
H60 H 0.1146 0.7933 0.0583 0.027 Uiso 1 1 calc R . . 
C62 C 0.1079(3) 0.7054(3) 0.15590(16) 0.0221(10) Uani 1 1 d . . . 
H62 H 0.1316 0.6652 0.1747 0.026 Uiso 1 1 calc R . . 
C64 C 0.0473(3) 0.7510(3) 0.17056(17) 0.0276(11) Uani 1 1 d . . . 
H64 H 0.0318 0.7408 0.1995 0.033 Uiso 1 1 calc R . . 
C66 C 0.5776(3) 0.1940(3) 0.13469(17) 0.0246(10) Uani 1 1 d . . . 
H66 H 0.5865 0.1499 0.1203 0.029 Uiso 1 1 calc R . . 
C67 C -0.0586(3) 0.8607(3) 0.15964(18) 0.0303(11) Uani 1 1 d . . . 
C68 C 0.5497(3) 0.3262(3) 0.17523(16) 0.0238(10) Uani 1 1 d . . . 
H68 H 0.5416 0.3710 0.1889 0.029 Uiso 1 1 calc R . . 
C71 C 0.7482(3) 0.1186(3) 0.1613(2) 0.0365(13) Uani 1 1 d . . . 
H71A H 0.7537 0.1407 0.1315 0.055 Uiso 1 1 calc R . . 
H71B H 0.6990 0.0847 0.1544 0.055 Uiso 1 1 calc R . . 
H71C H 0.8027 0.0933 0.1762 0.055 Uiso 1 1 calc R . . 
C75 C 0.3862(3) 0.1398(3) -0.09252(18) 0.0276(11) Uani 1 1 d . . . 
H75 H 0.3951 0.0924 -0.0805 0.033 Uiso 1 1 calc R . . 
C78 C 0.0362(3) 0.8252(3) 0.10089(17) 0.0257(10) Uani 1 1 d . . . 
H78 H 0.0123 0.8652 0.0818 0.031 Uiso 1 1 calc R . . 
C79 C 0.4681(4) 0.0295(3) -0.1413(2) 0.0415(15) Uani 1 1 d . . . 
H79A H 0.4266 0.0102 -0.1242 0.062 Uiso 1 1 calc R . . 
H79B H 0.5228 0.0433 -0.1183 0.062 Uiso 1 1 calc R . . 
H79C H 0.4808 -0.0071 -0.1628 0.062 Uiso 1 1 calc R . . 
C80 C 0.4269(4) 0.0963(3) -0.17064(19) 0.0326(12) Uani 1 1 d . . . 
C81 C 0.8114(3) 0.2295(3) 0.20640(19) 0.0329(12) Uani 1 1 d . . . 
H81A H 0.8173 0.2513 0.1766 0.049 Uiso 1 1 calc R . . 
H81B H 0.8649 0.2025 0.2209 0.049 Uiso 1 1 calc R . . 
H81C H 0.8028 0.2670 0.2283 0.049 Uiso 1 1 calc R . . 
C91 C 0.4936(5) 0.1268(4) -0.1973(3) 0.065(2) Uani 1 1 d . . . 
H91A H 0.4681 0.1687 -0.2159 0.097 Uiso 1 1 calc R . . 
H91B H 0.5068 0.0901 -0.2186 0.097 Uiso 1 1 calc R . . 
H91C H 0.5480 0.1406 -0.1741 0.097 Uiso 1 1 calc R . . 
C98 C 0.7224(4) 0.1434(3) 0.2432(2) 0.0402(14) Uani 1 1 d . . . 
H98A H 0.7763 0.1170 0.2577 0.060 Uiso 1 1 calc R . . 
H98B H 0.6722 0.1105 0.2368 0.060 Uiso 1 1 calc R . . 
H98C H 0.7133 0.1810 0.2651 0.060 Uiso 1 1 calc R . . 
C106 C 0.3417(5) 0.0720(3) -0.2087(2) 0.0495(17) Uani 1 1 d . . . 
H10A H 0.3151 0.1134 -0.2276 0.074 Uiso 1 1 calc R . . 
H10B H 0.2995 0.0516 -0.1925 0.074 Uiso 1 1 calc R . . 
H10C H 0.3573 0.0358 -0.2296 0.074 Uiso 1 1 calc R . . 
C126 C -0.0096(5) 0.9001(4) 0.2059(3) 0.060(2) Uani 1 1 d . . . 
H12A H -0.0511 0.9309 0.2168 0.091 Uiso 1 1 calc R . . 
H12B H 0.0378 0.9293 0.1993 0.091 Uiso 1 1 calc R . . 
H12C H 0.0152 0.8648 0.2306 0.091 Uiso 1 1 calc R . . 
C128 C -0.1329(4) 0.8148(4) 0.1717(3) 0.0548(18) Uani 1 1 d . . . 
H12D H -0.1748 0.8463 0.1818 0.082 Uiso 1 1 calc R . . 
H12E H -0.1072 0.7815 0.1975 0.082 Uiso 1 1 calc R . . 
H12F H -0.1635 0.7878 0.1435 0.082 Uiso 1 1 calc R . . 
C129 C 0.3562(3) 0.8673(3) 0.0051(2) 0.0323(12) Uani 1 1 d . . . 
H12G H 0.3853 0.8721 0.0394 0.039 Uiso 1 1 calc R . . 
H12H H 0.4028 0.8633 -0.0124 0.039 Uiso 1 1 calc R . . 
C138 C -0.1027(5) 0.9165(4) 0.1213(3) 0.070(2) Uani 1 1 d . . . 
H13A H -0.1446 0.9453 0.1333 0.105 Uiso 1 1 calc R . . 
H13B H -0.1338 0.8915 0.0923 0.105 Uiso 1 1 calc R . . 
H13C H -0.0575 0.9477 0.1142 0.105 Uiso 1 1 calc R . . 
H17 H 0.348(2) 0.502(4) -0.128(2) 0.07(2) Uiso 1 1 d D . . 
H18 H 0.2148(19) 0.508(3) 0.175(2) 0.041(18) Uiso 1 1 d D . . 
H574 H 0.0693(11) 0.459(3) -0.129(2) 0.052(19) Uiso 1 1 d 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 O7 2.241(3) . ? 
Dy1 O6 2.267(3) . ? 
Dy1 O10 2.377(3) . ? 
Dy1 O20 2.397(3) . ? 
Dy1 O12 2.412(3) . ? 
Dy1 O11 2.435(3) . ? 
Dy1 O2 2.443(3) . ? 
Dy1 O3 2.493(3) . ? 
Dy2 O1 2.285(3) . ? 
Dy2 O8 2.296(3) . ? 
Dy2 O16 2.319(3) . ? 
Dy2 O17 2.330(3) . ? 
Dy2 O5 2.419(3) . ? 
Dy2 O4 2.425(3) . ? 
Dy2 O3 2.427(3) . ? 
Dy2 O2 2.428(3) . ? 
Co3 O7 1.877(3) . ? 
Co3 O8 1.888(3) . ? 
Co3 O19 1.901(3) . ? 
Co3 O3 1.922(3) . ? 
Co3 O9 1.924(3) . ? 
Co3 N10 1.980(4) . ? 
Co4 O1 1.878(3) . ? 
Co4 O6 1.878(3) . ? 
Co4 O13 1.913(3) . ? 
Co4 O15 1.925(3) . ? 
Co4 O2 1.954(3) . ? 
Co4 N12 1.979(4) . ? 
O1 C33 1.423(6) . ? 
O2 C12 1.427(6) . ? 
O3 C11 1.448(5) . ? 
O4 C13 1.436(6) . ? 
O4 H17 0.8900(11) . ? 
O5 C20 1.428(6) . ? 
O5 H574 0.8900(10) . ? 
O6 C4 1.401(5) . ? 
O7 C16 1.413(5) . ? 
O8 C8 1.427(6) . ? 
O9 C29 1.266(5) . ? 
O10 C26 1.243(5) . ? 
O11 N1 1.248(5) . ? 
O12 C1 1.257(5) . ? 
O13 C26 1.274(5) . ? 
O14 N7 1.243(6) . ? 
O15 C25 1.264(5) . ? 
O16 C29 1.254(5) . ? 
O17 C25 1.263(5) . ? 
O18 N7 1.262(5) . ? 
O19 C1 1.272(5) . ? 
O20 C43 1.431(6) . ? 
O20 H18 0.8900(10) . ? 
O21 N1 1.205(6) . ? 
O23 N1 1.253(6) . ? 
O25 C17 1.433(8) . ? 
O25 H25 0.8200 . ? 
O136 N7 1.232(6) . ? 
N10 C14 1.488(6) . ? 
N10 C15 1.496(6) . ? 
N10 C18 1.504(6) . ? 
N12 C23 1.491(6) . ? 
N12 C5 1.493(6) . ? 
N12 C3 1.500(6) . ? 
C1 C40 1.499(6) . ? 
C2 C36 1.535(8) . ? 
C2 H2A 0.9600 . ? 
C2 H2B 0.9600 . ? 
C2 H2C 0.9600 . ? 
C3 C4 1.472(7) . ? 
C3 H3A 0.9700 . ? 
C3 H3B 0.9700 . ? 
C4 H4A 0.9700 . ? 
C4 H4B 0.9700 . ? 
C5 C33 1.448(8) . ? 
C5 H5A 0.9700 . ? 
C5 H5B 0.9700 . ? 
C6 C34 1.491(8) . ? 
C6 C23 1.497(7) . ? 
C6 H6A 0.9700 . ? 
C6 H6B 0.9700 . ? 
C7 C34 1.506(8) . ? 
C7 H7A 0.9600 . ? 
C7 H7B 0.9600 . ? 
C7 H7C 0.9600 . ? 
C8 C18 1.480(7) . ? 
C8 H8A 0.9700 . ? 
C8 H8B 0.9700 . ? 
C11 H11A 0.9600 . ? 
C11 H11B 0.9600 . ? 
C11 H11C 0.9600 . ? 
C12 H12I 0.9600 . ? 
C12 H12J 0.9600 . ? 
C12 H12K 0.9600 . ? 
C13 H13D 0.9600 . ? 
C13 H13E 0.9600 . ? 
C13 H13F 0.9600 . ? 
C14 C129 1.522(7) . ? 
C14 H14A 0.9700 . ? 
C14 H14B 0.9700 . ? 
C15 C16 1.508(6) . ? 
C15 H15A 0.9700 . ? 
C15 H15B 0.9700 . ? 
C16 H16A 0.9700 . ? 
C16 H16B 0.9700 . ? 
C17 H17A 0.9600 . ? 
C17 H17B 0.9600 . ? 
C17 H17C 0.9600 . ? 
C18 H18A 0.9700 . ? 
C18 H18B 0.9700 . ? 
C20 H20A 0.9600 . ? 
C20 H20B 0.9600 . ? 
C20 H20C 0.9600 . ? 
C21 C37 1.518(8) . ? 
C21 H21A 0.9600 . ? 
C21 H21B 0.9600 . ? 
C21 H21C 0.9600 . ? 
C23 H23A 0.9700 . ? 
C23 H23B 0.9700 . ? 
C24 C36 1.528(8) . ? 
C24 H24A 0.9600 . ? 
C24 H24B 0.9600 . ? 
C24 H24C 0.9600 . ? 
C25 C28 1.500(6) . ? 
C26 C27 1.501(6) . ? 
C27 C31 1.376(6) . ? 
C27 C68 1.396(6) . ? 
C28 C56 1.382(6) . ? 
C28 C59 1.399(6) . ? 
C29 C30 1.513(6) . ? 
C30 C47 1.377(6) . ? 
C30 C48 1.397(6) . ? 
C31 C66 1.398(6) . ? 
C31 H31 0.9300 . ? 
C33 H33A 0.9700 . ? 
C33 H33B 0.9700 . ? 
C34 H34A 0.9700 . ? 
C34 H34B 0.9700 . ? 
C36 C44 1.530(7) . ? 
C36 C54 1.535(6) . ? 
C37 C129 1.502(7) . ? 
C37 H37A 0.9700 . ? 
C37 H37B 0.9700 . ? 
C40 C62 1.384(6) . ? 
C40 C60 1.404(6) . ? 
C41 C50 1.395(6) . ? 
C41 C75 1.400(6) . ? 
C41 C80 1.540(7) . ? 
C42 C78 1.394(6) . ? 
C42 C64 1.400(7) . ? 
C42 C67 1.529(7) . ? 
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 C48 1.382(6) . ? 
C45 C54 1.389(6) . ? 
C45 H45 0.9300 . ? 
C46 C47 1.392(6) . ? 
C46 C54 1.399(6) . ? 
C46 H46 0.9300 . ? 
C47 H47 0.9300 . ? 
C48 H48 0.9300 . ? 
C49 C98 1.524(7) . ? 
C49 C81 1.529(7) . ? 
C49 C71 1.532(7) . ? 
C49 C52 1.534(6) . ? 
C50 C59 1.378(6) . ? 
C50 H50 0.9300 . ? 
C52 C66 1.389(6) . ? 
C52 C53 1.391(6) . ? 
C53 C68 1.388(6) . ? 
C53 H53 0.9300 . ? 
C56 C75 1.382(6) . ? 
C56 H56 0.9300 . ? 
C59 H59 0.9300 . ? 
C60 C78 1.370(6) . ? 
C60 H60 0.9300 . ? 
C62 C64 1.391(7) . ? 
C62 H62 0.9300 . ? 
C64 H64 0.9300 . ? 
C66 H66 0.9300 . ? 
C67 C138 1.524(8) . ? 
C67 C126 1.524(8) . ? 
C67 C128 1.525(8) . ? 
C68 H68 0.9300 . ? 
C71 H71A 0.9600 . ? 
C71 H71B 0.9600 . ? 
C71 H71C 0.9600 . ? 
C75 H75 0.9300 . ? 
C78 H78 0.9300 . ? 
C79 C80 1.528(8) . ? 
C79 H79A 0.9600 . ? 
C79 H79B 0.9600 . ? 
C79 H79C 0.9600 . ? 
C80 C91 1.526(8) . ? 
C80 C106 1.543(8) . ? 
C81 H81A 0.9600 . ? 
C81 H81B 0.9600 . ? 
C81 H81C 0.9600 . ? 
C91 H91A 0.9600 . ? 
C91 H91B 0.9600 . ? 
C91 H91C 0.9600 . ? 
C98 H98A 0.9600 . ? 
C98 H98B 0.9600 . ? 
C98 H98C 0.9600 . ? 
C106 H10A 0.9600 . ? 
C106 H10B 0.9600 . ? 
C106 H10C 0.9600 . ? 
C126 H12A 0.9600 . ? 
C126 H12B 0.9600 . ? 
C126 H12C 0.9600 . ? 
C128 H12D 0.9600 . ? 
C128 H12E 0.9600 . ? 
C128 H12F 0.9600 . ? 
C129 H12G 0.9700 . ? 
C129 H12H 0.9700 . ? 
C138 H13A 0.9600 . ? 
C138 H13B 0.9600 . ? 
C138 H13C 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 
O7 Dy1 O6 141.20(10) . . ? 
O7 Dy1 O10 123.80(11) . . ? 
O6 Dy1 O10 76.37(10) . . ? 
O7 Dy1 O20 134.85(11) . . ? 
O6 Dy1 O20 77.69(11) . . ? 
O10 Dy1 O20 78.11(11) . . ? 
O7 Dy1 O12 76.76(11) . . ? 
O6 Dy1 O12 105.50(10) . . ? 
O10 Dy1 O12 145.39(10) . . ? 
O20 Dy1 O12 68.88(10) . . ? 
O7 Dy1 O11 78.65(11) . . ? 
O6 Dy1 O11 139.21(11) . . ? 
O10 Dy1 O11 70.46(11) . . ? 
O20 Dy1 O11 72.88(12) . . ? 
O12 Dy1 O11 89.63(10) . . ? 
O7 Dy1 O2 85.48(10) . . ? 
O6 Dy1 O2 67.27(9) . . ? 
O10 Dy1 O2 74.63(10) . . ? 
O20 Dy1 O2 139.55(10) . . ? 
O12 Dy1 O2 138.82(9) . . ? 
O11 Dy1 O2 123.13(10) . . ? 
O7 Dy1 O3 66.79(10) . . ? 
O6 Dy1 O3 76.71(10) . . ? 
O10 Dy1 O3 138.17(10) . . ? 
O20 Dy1 O3 125.75(10) . . ? 
O12 Dy1 O3 73.21(9) . . ? 
O11 Dy1 O3 143.95(11) . . ? 
O2 Dy1 O3 65.65(9) . . ? 
O1 Dy2 O8 143.77(10) . . ? 
O1 Dy2 O16 109.01(11) . . ? 
O8 Dy2 O16 77.83(11) . . ? 
O1 Dy2 O17 78.04(11) . . ? 
O8 Dy2 O17 118.29(11) . . ? 
O16 Dy2 O17 143.35(11) . . ? 
O1 Dy2 O5 75.50(11) . . ? 
O8 Dy2 O5 136.68(11) . . ? 
O16 Dy2 O5 69.09(11) . . ? 
O17 Dy2 O5 78.67(11) . . ? 
O1 Dy2 O4 139.63(11) . . ? 
O8 Dy2 O4 75.49(11) . . ? 
O16 Dy2 O4 83.45(11) . . ? 
O17 Dy2 O4 70.86(11) . . ? 
O5 Dy2 O4 73.70(12) . . ? 
O1 Dy2 O3 79.03(10) . . ? 
O8 Dy2 O3 68.04(10) . . ? 
O16 Dy2 O3 75.82(10) . . ? 
O17 Dy2 O3 139.76(10) . . ? 
O5 Dy2 O3 126.11(10) . . ? 
O4 Dy2 O3 140.94(11) . . ? 
O1 Dy2 O2 68.92(9) . . ? 
O8 Dy2 O2 84.13(10) . . ? 
O16 Dy2 O2 142.43(10) . . ? 
O17 Dy2 O2 74.15(10) . . ? 
O5 Dy2 O2 138.71(11) . . ? 
O4 Dy2 O2 123.51(10) . . ? 
O3 Dy2 O2 66.88(9) . . ? 
O7 Co3 O8 89.91(13) . . ? 
O7 Co3 O19 92.54(13) . . ? 
O8 Co3 O19 177.27(13) . . ? 
O7 Co3 O3 86.96(12) . . ? 
O8 Co3 O3 87.92(13) . . ? 
O19 Co3 O3 93.39(13) . . ? 
O7 Co3 O9 177.19(13) . . ? 
O8 Co3 O9 92.20(13) . . ? 
O19 Co3 O9 85.31(12) . . ? 
O3 Co3 O9 94.98(12) . . ? 
O7 Co3 N10 86.54(14) . . ? 
O8 Co3 N10 88.13(15) . . ? 
O19 Co3 N10 90.84(14) . . ? 
O3 Co3 N10 172.39(14) . . ? 
O9 Co3 N10 91.67(14) . . ? 
O1 Co4 O6 90.69(12) . . ? 
O1 Co4 O13 174.54(13) . . ? 
O6 Co4 O13 94.43(12) . . ? 
O1 Co4 O15 91.20(12) . . ? 
O6 Co4 O15 177.65(13) . . ? 
O13 Co4 O15 83.63(12) . . ? 
O1 Co4 O2 88.27(12) . . ? 
O6 Co4 O2 85.95(12) . . ? 
O13 Co4 O2 93.98(12) . . ? 
O15 Co4 O2 95.50(12) . . ? 
O1 Co4 N12 87.39(14) . . ? 
O6 Co4 N12 86.58(14) . . ? 
O13 Co4 N12 91.01(14) . . ? 
O15 Co4 N12 92.12(14) . . ? 
O2 Co4 N12 171.31(14) . . ? 
C33 O1 Co4 108.8(3) . . ? 
C33 O1 Dy2 136.9(3) . . ? 
Co4 O1 Dy2 103.83(13) . . ? 
C12 O2 Co4 121.4(3) . . ? 
C12 O2 Dy2 110.9(3) . . ? 
Co4 O2 Dy2 96.59(11) . . ? 
C12 O2 Dy1 114.3(3) . . ? 
Co4 O2 Dy1 97.66(11) . . ? 
Dy2 O2 Dy1 114.48(11) . . ? 
C11 O3 Co3 119.7(3) . . ? 
C11 O3 Dy2 112.7(2) . . ? 
Co3 O3 Dy2 97.76(12) . . ? 
C11 O3 Dy1 115.1(2) . . ? 
Co3 O3 Dy1 96.88(11) . . ? 
Dy2 O3 Dy1 112.73(11) . . ? 
C13 O4 Dy2 128.0(3) . . ? 
C13 O4 H17 99(4) . . ? 
Dy2 O4 H17 133(4) . . ? 
C20 O5 Dy2 128.4(3) . . ? 
C20 O5 H574 103(4) . . ? 
Dy2 O5 H574 128(4) . . ? 
C4 O6 Co4 113.8(3) . . ? 
C4 O6 Dy1 138.0(3) . . ? 
Co4 O6 Dy1 106.29(12) . . ? 
C16 O7 Co3 114.4(3) . . ? 
C16 O7 Dy1 135.8(3) . . ? 
Co3 O7 Dy1 107.38(13) . . ? 
C8 O8 Co3 107.6(3) . . ? 
C8 O8 Dy2 135.2(3) . . ? 
Co3 O8 Dy2 103.36(13) . . ? 
C29 O9 Co3 126.9(3) . . ? 
C26 O10 Dy1 134.0(3) . . ? 
N1 O11 Dy1 119.0(3) . . ? 
C1 O12 Dy1 132.2(3) . . ? 
C26 O13 Co4 125.9(3) . . ? 
C25 O15 Co4 126.5(3) . . ? 
C29 O16 Dy2 133.2(3) . . ? 
C25 O17 Dy2 133.2(3) . . ? 
C1 O19 Co3 127.9(3) . . ? 
C43 O20 Dy1 128.9(3) . . ? 
C43 O20 H18 111(4) . . ? 
Dy1 O20 H18 118(4) . . ? 
C17 O25 H25 109.5 . . ? 
O21 N1 O11 119.9(5) . . ? 
O21 N1 O23 122.6(5) . . ? 
O11 N1 O23 117.5(5) . . ? 
O136 N7 O14 121.2(5) . . ? 
O136 N7 O18 119.9(5) . . ? 
O14 N7 O18 118.9(5) . . ? 
C14 N10 C15 110.0(4) . . ? 
C14 N10 C18 111.1(4) . . ? 
C15 N10 C18 111.4(4) . . ? 
C14 N10 Co3 114.4(3) . . ? 
C15 N10 Co3 103.6(3) . . ? 
C18 N10 Co3 106.1(3) . . ? 
C23 N12 C5 110.8(4) . . ? 
C23 N12 C3 108.3(4) . . ? 
C5 N12 C3 111.3(4) . . ? 
C23 N12 Co4 115.3(3) . . ? 
C5 N12 Co4 107.4(3) . . ? 
C3 N12 Co4 103.7(3) . . ? 
O12 C1 O19 126.5(4) . . ? 
O12 C1 C40 120.4(4) . . ? 
O19 C1 C40 113.1(4) . . ? 
C36 C2 H2A 109.5 . . ? 
C36 C2 H2B 109.5 . . ? 
H2A C2 H2B 109.5 . . ? 
C36 C2 H2C 109.5 . . ? 
H2A C2 H2C 109.5 . . ? 
H2B C2 H2C 109.5 . . ? 
C4 C3 N12 109.5(4) . . ? 
C4 C3 H3A 109.8 . . ? 
N12 C3 H3A 109.8 . . ? 
C4 C3 H3B 109.8 . . ? 
N12 C3 H3B 109.8 . . ? 
H3A C3 H3B 108.2 . . ? 
O6 C4 C3 110.6(4) . . ? 
O6 C4 H4A 109.5 . . ? 
C3 C4 H4A 109.5 . . ? 
O6 C4 H4B 109.5 . . ? 
C3 C4 H4B 109.5 . . ? 
H4A C4 H4B 108.1 . . ? 
C33 C5 N12 110.8(4) . . ? 
C33 C5 H5A 109.5 . . ? 
N12 C5 H5A 109.5 . . ? 
C33 C5 H5B 109.5 . . ? 
N12 C5 H5B 109.5 . . ? 
H5A C5 H5B 108.1 . . ? 
C34 C6 C23 115.2(5) . . ? 
C34 C6 H6A 108.5 . . ? 
C23 C6 H6A 108.5 . . ? 
C34 C6 H6B 108.5 . . ? 
C23 C6 H6B 108.5 . . ? 
H6A C6 H6B 107.5 . . ? 
C34 C7 H7A 109.5 . . ? 
C34 C7 H7B 109.5 . . ? 
H7A C7 H7B 109.5 . . ? 
C34 C7 H7C 109.5 . . ? 
H7A C7 H7C 109.5 . . ? 
H7B C7 H7C 109.5 . . ? 
O8 C8 C18 109.6(4) . . ? 
O8 C8 H8A 109.7 . . ? 
C18 C8 H8A 109.7 . . ? 
O8 C8 H8B 109.7 . . ? 
C18 C8 H8B 109.7 . . ? 
H8A C8 H8B 108.2 . . ? 
O3 C11 H11A 109.5 . . ? 
O3 C11 H11B 109.5 . . ? 
H11A C11 H11B 109.5 . . ? 
O3 C11 H11C 109.5 . . ? 
H11A C11 H11C 109.5 . . ? 
H11B C11 H11C 109.5 . . ? 
O2 C12 H12I 109.5 . . ? 
O2 C12 H12J 109.5 . . ? 
H12I C12 H12J 109.5 . . ? 
O2 C12 H12K 109.5 . . ? 
H12I C12 H12K 109.5 . . ? 
H12J C12 H12K 109.5 . . ? 
O4 C13 H13D 109.5 . . ? 
O4 C13 H13E 109.5 . . ? 
H13D C13 H13E 109.5 . . ? 
O4 C13 H13F 109.5 . . ? 
H13D C13 H13F 109.5 . . ? 
H13E C13 H13F 109.5 . . ? 
N10 C14 C129 116.3(4) . . ? 
N10 C14 H14A 108.2 . . ? 
C129 C14 H14A 108.2 . . ? 
N10 C14 H14B 108.2 . . ? 
C129 C14 H14B 108.2 . . ? 
H14A C14 H14B 107.4 . . ? 
N10 C15 C16 109.0(4) . . ? 
N10 C15 H15A 109.9 . . ? 
C16 C15 H15A 109.9 . . ? 
N10 C15 H15B 109.9 . . ? 
C16 C15 H15B 109.9 . . ? 
H15A C15 H15B 108.3 . . ? 
O7 C16 C15 109.6(3) . . ? 
O7 C16 H16A 109.7 . . ? 
C15 C16 H16A 109.7 . . ? 
O7 C16 H16B 109.7 . . ? 
C15 C16 H16B 109.7 . . ? 
H16A C16 H16B 108.2 . . ? 
O25 C17 H17A 109.5 . . ? 
O25 C17 H17B 109.5 . . ? 
H17A C17 H17B 109.5 . . ? 
O25 C17 H17C 109.5 . . ? 
H17A C17 H17C 109.5 . . ? 
H17B C17 H17C 109.5 . . ? 
C8 C18 N10 109.8(4) . . ? 
C8 C18 H18A 109.7 . . ? 
N10 C18 H18A 109.7 . . ? 
C8 C18 H18B 109.7 . . ? 
N10 C18 H18B 109.7 . . ? 
H18A C18 H18B 108.2 . . ? 
O5 C20 H20A 109.5 . . ? 
O5 C20 H20B 109.5 . . ? 
H20A C20 H20B 109.5 . . ? 
O5 C20 H20C 109.5 . . ? 
H20A C20 H20C 109.5 . . ? 
H20B C20 H20C 109.5 . . ? 
C37 C21 H21A 109.5 . . ? 
C37 C21 H21B 109.5 . . ? 
H21A C21 H21B 109.5 . . ? 
C37 C21 H21C 109.5 . . ? 
H21A C21 H21C 109.5 . . ? 
H21B C21 H21C 109.5 . . ? 
N12 C23 C6 116.7(4) . . ? 
N12 C23 H23A 108.1 . . ? 
C6 C23 H23A 108.1 . . ? 
N12 C23 H23B 108.1 . . ? 
C6 C23 H23B 108.1 . . ? 
H23A C23 H23B 107.3 . . ? 
C36 C24 H24A 109.5 . . ? 
C36 C24 H24B 109.5 . . ? 
H24A C24 H24B 109.5 . . ? 
C36 C24 H24C 109.5 . . ? 
H24A C24 H24C 109.5 . . ? 
H24B C24 H24C 109.5 . . ? 
O17 C25 O15 126.1(4) . . ? 
O17 C25 C28 117.6(4) . . ? 
O15 C25 C28 116.4(4) . . ? 
O10 C26 O13 126.4(4) . . ? 
O10 C26 C27 118.9(4) . . ? 
O13 C26 C27 114.7(4) . . ? 
C31 C27 C68 118.4(4) . . ? 
C31 C27 C26 121.3(4) . . ? 
C68 C27 C26 120.1(4) . . ? 
C56 C28 C59 119.0(4) . . ? 
C56 C28 C25 121.0(4) . . ? 
C59 C28 C25 120.0(4) . . ? 
O16 C29 O9 126.2(4) . . ? 
O16 C29 C30 117.5(4) . . ? 
O9 C29 C30 116.3(4) . . ? 
C47 C30 C48 119.5(4) . . ? 
C47 C30 C29 121.6(4) . . ? 
C48 C30 C29 118.9(4) . . ? 
C27 C31 C66 120.9(4) . . ? 
C27 C31 H31 119.5 . . ? 
C66 C31 H31 119.5 . . ? 
O1 C33 C5 112.3(4) . . ? 
O1 C33 H33A 109.1 . . ? 
C5 C33 H33A 109.1 . . ? 
O1 C33 H33B 109.1 . . ? 
C5 C33 H33B 109.1 . . ? 
H33A C33 H33B 107.9 . . ? 
C6 C34 C7 115.0(5) . . ? 
C6 C34 H34A 108.5 . . ? 
C7 C34 H34A 108.5 . . ? 
C6 C34 H34B 108.5 . . ? 
C7 C34 H34B 108.5 . . ? 
H34A C34 H34B 107.5 . . ? 
C24 C36 C44 108.6(5) . . ? 
C24 C36 C2 108.5(5) . . ? 
C44 C36 C2 109.7(5) . . ? 
C24 C36 C54 112.1(4) . . ? 
C44 C36 C54 110.4(4) . . ? 
C2 C36 C54 107.5(4) . . ? 
C129 C37 C21 113.1(5) . . ? 
C129 C37 H37A 109.0 . . ? 
C21 C37 H37A 109.0 . . ? 
C129 C37 H37B 109.0 . . ? 
C21 C37 H37B 109.0 . . ? 
H37A C37 H37B 107.8 . . ? 
C62 C40 C60 118.2(4) . . ? 
C62 C40 C1 122.0(4) . . ? 
C60 C40 C1 119.8(4) . . ? 
C50 C41 C75 117.0(4) . . ? 
C50 C41 C80 120.4(4) . . ? 
C75 C41 C80 122.6(4) . . ? 
C78 C42 C64 116.2(4) . . ? 
C78 C42 C67 122.3(4) . . ? 
C64 C42 C67 121.5(4) . . ? 
O20 C43 H43A 109.5 . . ? 
O20 C43 H43B 109.5 . . ? 
H43A C43 H43B 109.5 . . ? 
O20 C43 H43C 109.5 . . ? 
H43A C43 H43C 109.5 . . ? 
H43B C43 H43C 109.5 . . ? 
C36 C44 H44A 109.5 . . ? 
C36 C44 H44B 109.5 . . ? 
H44A C44 H44B 109.5 . . ? 
C36 C44 H44C 109.5 . . ? 
H44A C44 H44C 109.5 . . ? 
H44B C44 H44C 109.5 . . ? 
C48 C45 C54 121.8(4) . . ? 
C48 C45 H45 119.1 . . ? 
C54 C45 H45 119.1 . . ? 
C47 C46 C54 121.2(4) . . ? 
C47 C46 H46 119.4 . . ? 
C54 C46 H46 119.4 . . ? 
C30 C47 C46 120.2(4) . . ? 
C30 C47 H47 119.9 . . ? 
C46 C47 H47 119.9 . . ? 
C45 C48 C30 119.8(4) . . ? 
C45 C48 H48 120.1 . . ? 
C30 C48 H48 120.1 . . ? 
C98 C49 C81 109.0(4) . . ? 
C98 C49 C71 109.9(4) . . ? 
C81 C49 C71 107.5(4) . . ? 
C98 C49 C52 107.9(4) . . ? 
C81 C49 C52 110.8(4) . . ? 
C71 C49 C52 111.7(4) . . ? 
C59 C50 C41 122.1(4) . . ? 
C59 C50 H50 118.9 . . ? 
C41 C50 H50 118.9 . . ? 
C66 C52 C53 117.1(4) . . ? 
C66 C52 C49 123.0(4) . . ? 
C53 C52 C49 120.0(4) . . ? 
C68 C53 C52 122.0(4) . . ? 
C68 C53 H53 119.0 . . ? 
C52 C53 H53 119.0 . . ? 
C45 C54 C46 117.5(4) . . ? 
C45 C54 C36 119.7(4) . . ? 
C46 C54 C36 122.8(4) . . ? 
C75 C56 C28 120.6(4) . . ? 
C75 C56 H56 119.7 . . ? 
C28 C56 H56 119.7 . . ? 
C50 C59 C28 119.8(4) . . ? 
C50 C59 H59 120.1 . . ? 
C28 C59 H59 120.1 . . ? 
C78 C60 C40 120.7(4) . . ? 
C78 C60 H60 119.6 . . ? 
C40 C60 H60 119.6 . . ? 
C40 C62 C64 120.2(4) . . ? 
C40 C62 H62 119.9 . . ? 
C64 C62 H62 119.9 . . ? 
C62 C64 C42 122.2(4) . . ? 
C62 C64 H64 118.9 . . ? 
C42 C64 H64 118.9 . . ? 
C52 C66 C31 121.3(4) . . ? 
C52 C66 H66 119.3 . . ? 
C31 C66 H66 119.3 . . ? 
C138 C67 C126 109.6(6) . . ? 
C138 C67 C128 107.8(5) . . ? 
C126 C67 C128 107.6(5) . . ? 
C138 C67 C42 112.9(4) . . ? 
C126 C67 C42 108.2(4) . . ? 
C128 C67 C42 110.5(5) . . ? 
C53 C68 C27 120.2(4) . . ? 
C53 C68 H68 119.9 . . ? 
C27 C68 H68 119.9 . . ? 
C49 C71 H71A 109.5 . . ? 
C49 C71 H71B 109.5 . . ? 
H71A C71 H71B 109.5 . . ? 
C49 C71 H71C 109.5 . . ? 
H71A C71 H71C 109.5 . . ? 
H71B C71 H71C 109.5 . . ? 
C56 C75 C41 121.4(4) . . ? 
C56 C75 H75 119.3 . . ? 
C41 C75 H75 119.3 . . ? 
C60 C78 C42 122.3(5) . . ? 
C60 C78 H78 118.8 . . ? 
C42 C78 H78 118.8 . . ? 
C80 C79 H79A 109.5 . . ? 
C80 C79 H79B 109.5 . . ? 
H79A C79 H79B 109.5 . . ? 
C80 C79 H79C 109.5 . . ? 
H79A C79 H79C 109.5 . . ? 
H79B C79 H79C 109.5 . . ? 
C91 C80 C79 109.0(5) . . ? 
C91 C80 C41 110.6(5) . . ? 
C79 C80 C41 111.7(4) . . ? 
C91 C80 C106 108.5(5) . . ? 
C79 C80 C106 108.4(5) . . ? 
C41 C80 C106 108.5(4) . . ? 
C49 C81 H81A 109.5 . . ? 
C49 C81 H81B 109.5 . . ? 
H81A C81 H81B 109.5 . . ? 
C49 C81 H81C 109.5 . . ? 
H81A C81 H81C 109.5 . . ? 
H81B C81 H81C 109.5 . . ? 
C80 C91 H91A 109.5 . . ? 
C80 C91 H91B 109.5 . . ? 
H91A C91 H91B 109.5 . . ? 
C80 C91 H91C 109.5 . . ? 
H91A C91 H91C 109.5 . . ? 
H91B C91 H91C 109.5 . . ? 
C49 C98 H98A 109.5 . . ? 
C49 C98 H98B 109.5 . . ? 
H98A C98 H98B 109.5 . . ? 
C49 C98 H98C 109.5 . . ? 
H98A C98 H98C 109.5 . . ? 
H98B C98 H98C 109.5 . . ? 
C80 C106 H10A 109.5 . . ? 
C80 C106 H10B 109.5 . . ? 
H10A C106 H10B 109.5 . . ? 
C80 C106 H10C 109.5 . . ? 
H10A C106 H10C 109.5 . . ? 
H10B C106 H10C 109.5 . . ? 
C67 C126 H12A 109.5 . . ? 
C67 C126 H12B 109.5 . . ? 
H12A C126 H12B 109.5 . . ? 
C67 C126 H12C 109.5 . . ? 
H12A C126 H12C 109.5 . . ? 
H12B C126 H12C 109.5 . . ? 
C67 C128 H12D 109.5 . . ? 
C67 C128 H12E 109.5 . . ? 
H12D C128 H12E 109.5 . . ? 
C67 C128 H12F 109.5 . . ? 
H12D C128 H12F 109.5 . . ? 
H12E C128 H12F 109.5 . . ? 
C37 C129 C14 112.3(4) . . ? 
C37 C129 H12G 109.1 . . ? 
C14 C129 H12G 109.1 . . ? 
C37 C129 H12H 109.1 . . ? 
C14 C129 H12H 109.1 . . ? 
H12G C129 H12H 107.9 . . ? 
C67 C138 H13A 109.5 . . ? 
C67 C138 H13B 109.5 . . ? 
H13A C138 H13B 109.5 . . ? 
C67 C138 H13C 109.5 . . ? 
H13A C138 H13C 109.5 . . ? 
H13B C138 H13C 109.5 . . ? 
 
_diffrn_measured_fraction_theta_max    0.952 
_diffrn_reflns_theta_full              30.51 
_diffrn_measured_fraction_theta_full   0.952 
_refine_diff_density_max    1.802 
_refine_diff_density_min   -1.505 
_refine_diff_density_rms    0.155 
 
data_c:\x-seed\co(iii~1\p21c 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C32 H61 Co3 Dy N6 O20' 
_chemical_formula_weight          1189.16 
 
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' 
 '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' 
 'Co'  'Co'   0.3494   0.9721 
 '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' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    p21/c 
 
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                    15.0304(5) 
_cell_length_b                    14.3735(5) 
_cell_length_c                    24.1136(8) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  101.168(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      5110.8(3) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     123(2) 
_cell_measurement_reflns_used     7685 
_cell_measurement_theta_min       2.11 
_cell_measurement_theta_max       39.11 
 
_exptl_crystal_description        plate 
_exptl_crystal_colour             green 
_exptl_crystal_size_max           0.6 
_exptl_crystal_size_mid           0.4
_exptl_crystal_size_min           0.1 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.545 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2408 
_exptl_absorpt_coefficient_mu     2.473 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.317 
_exptl_absorpt_correction_T_max   0.781 
_exptl_absorpt_process_details    SADABS 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       123(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'APEX X8'  
_diffrn_measurement_method        'scans in phi and omega'  
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             60475 
_diffrn_reflns_av_R_equivalents   0.0334 
_diffrn_reflns_av_sigmaI/netI     0.0433 
_diffrn_reflns_limit_h_min        -21 
_diffrn_reflns_limit_h_max        16 
_diffrn_reflns_limit_k_min        -20 
_diffrn_reflns_limit_k_max        20 
_diffrn_reflns_limit_l_min        -25 
_diffrn_reflns_limit_l_max        34 
_diffrn_reflns_theta_min          1.98 
_diffrn_reflns_theta_max          30.62 
_reflns_number_total              15351 
_reflns_number_gt                 11490 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Bruker Apex2 V2.0' 
_computing_cell_refinement        'Bruker Apex2 V2.0' 
_computing_data_reduction         'Bruker Apex2 V2.0' 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'X-Seed'  
_computing_publication_material   'CIFTAB' 
 
_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.
The structure was solved by direct methods. The asymmetric unit contains
the entire cluster.
All non-H atoms are refined anisotropically. The H-atoms are placed in calculated
positions except for the hydroxide H-atom and O-H atoms found on the coordinated 
MeOH ligand, which were found. Bond (DFIX) restraints were placed on these. The largest
residual peak was found 0.7 A from the Dy(III) ions. 
; 
 
_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)+(0.0910P)²+27.5470P] 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          15351 
_refine_ls_number_parameters      570 
_refine_ls_number_restraints      15 
_refine_ls_R_factor_all           0.0813 
_refine_ls_R_factor_gt            0.0540 
_refine_ls_wR_factor_ref          0.1773 
_refine_ls_wR_factor_gt           0.1538 
_refine_ls_goodness_of_fit_ref    1.070 
_refine_ls_restrained_S_all       1.071 
_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 0.034525(15) 0.108334(16) 0.329251(9) 0.01917(8) Uani 1 1 d . . . 
Co3 Co 0.16350(4) -0.05498(5) 0.40984(3) 0.01677(13) Uani 1 1 d . . . 
Co2 Co 0.23132(4) -0.00716(5) 0.31270(3) 0.01721(14) Uani 1 1 d . . . 
Co1 Co 0.18576(5) 0.17280(5) 0.24924(3) 0.02361(15) Uani 1 1 d . . . 
O14 O -0.0547(3) 0.2500(3) 0.34450(16) 0.0262(8) Uani 1 1 d . . . 
O9 O 0.2888(3) 0.0975(2) 0.28660(15) 0.0216(7) Uani 1 1 d . . . 
O2 O 0.3422(2) -0.0400(2) 0.36132(14) 0.0188(7) Uani 1 1 d . . . 
O1 O 0.2878(2) -0.0864(2) 0.43773(15) 0.0189(7) Uani 1 1 d . . . 
O8 O 0.1904(2) 0.0561(2) 0.37191(14) 0.0172(6) Uani 1 1 d D . . 
O5 O 0.0422(2) -0.0244(3) 0.38159(15) 0.0216(7) Uani 1 1 d . . . 
O10 O 0.1152(3) 0.2222(3) 0.30352(16) 0.0243(7) Uani 1 1 d . . . 
O7 O 0.1244(3) 0.0388(3) 0.26502(15) 0.0228(7) Uani 1 1 d . . . 
O15 O -0.1146(3) 0.1175(3) 0.35629(18) 0.0284(8) Uani 1 1 d . . . 
N5 N -0.1186(3) 0.2046(4) 0.3590(2) 0.0275(10) Uani 1 1 d . . . 
O16 O -0.1808(3) 0.2444(4) 0.3749(2) 0.0449(12) Uani 1 1 d . . . 
O6 O 0.1685(2) -0.1084(2) 0.33719(15) 0.0198(7) Uani 1 1 d . . . 
O20 O 0.0663(3) 0.1559(3) 0.42775(15) 0.0241(7) Uani 1 1 d D . . 
O4 O 0.1655(2) 0.0163(3) 0.47588(14) 0.0206(7) Uani 1 1 d . . . 
O3 O 0.7057(3) -0.1325(3) 0.53002(16) 0.0253(8) Uani 1 1 d . . . 
H3 H 0.7420 -0.1041 0.5150 0.030 Uiso 1 1 calc R . . 
O18 O -0.0736(3) 0.0053(3) 0.26815(17) 0.0284(8) Uani 1 1 d . . . 
O17 O -0.0640(3) 0.1461(3) 0.23919(17) 0.0309(9) Uani 1 1 d . . . 
N2 N 0.2511(3) -0.0889(3) 0.25072(19) 0.0233(9) Uani 1 1 d . . . 
N1 N 0.1171(3) -0.1592(3) 0.44848(19) 0.0239(9) Uani 1 1 d . . . 
C9 C 0.4444(3) -0.0914(3) 0.4410(2) 0.0187(9) Uani 1 1 d . . . 
C10 C 0.6212(4) -0.1194(4) 0.5001(2) 0.0219(10) Uani 1 1 d . . . 
C11 C 0.3517(3) -0.0706(3) 0.4112(2) 0.0182(9) Uani 1 1 d . . . 
N3 N 0.2735(3) 0.2896(3) 0.2759(2) 0.0271(9) Uani 1 1 d . . . 
C13 C -0.0121(4) -0.1038(4) 0.3787(2) 0.0256(11) Uani 1 1 d . . . 
H13A H -0.0012 -0.1453 0.3490 0.031 Uiso 1 1 calc R . . 
H13B H -0.0758 -0.0874 0.3718 0.031 Uiso 1 1 calc R . . 
C14 C 0.5488(4) -0.1614(4) 0.5180(2) 0.0240(10) Uani 1 1 d . . . 
H14 H 0.5594 -0.2000 0.5495 0.029 Uiso 1 1 calc R . . 
C15 C 0.6063(4) -0.0643(4) 0.4520(2) 0.0273(11) Uani 1 1 d . . . 
H15 H 0.6546 -0.0358 0.4398 0.033 Uiso 1 1 calc R . . 
C16 C 0.3553(4) 0.1511(4) 0.3214(2) 0.0247(10) Uani 1 1 d . . . 
H16A H 0.4131 0.1189 0.3275 0.030 Uiso 1 1 calc R . . 
H16B H 0.3385 0.1608 0.3579 0.030 Uiso 1 1 calc R . . 
O12 O 0.1028(5) 0.2025(4) 0.1700(2) 0.0547(15) Uani 1 1 d . . . 
C18 C 0.4608(4) -0.1465(4) 0.4894(2) 0.0235(10) Uani 1 1 d . . . 
H18 H 0.4125 -0.1734 0.5025 0.028 Uiso 1 1 calc R . . 
C19 C 0.5173(4) -0.0520(4) 0.4221(2) 0.0277(11) Uani 1 1 d . . . 
H19 H 0.5070 -0.0169 0.3891 0.033 Uiso 1 1 calc R . . 
N6 N -0.1033(4) 0.0671(4) 0.2323(2) 0.0348(12) Uani 1 1 d . . . 
C21 C 0.2128(4) -0.1910(4) 0.3248(2) 0.0241(10) Uani 1 1 d . . . 
H21A H 0.1776 -0.2453 0.3309 0.029 Uiso 1 1 calc R . . 
H21B H 0.2723 -0.1957 0.3489 0.029 Uiso 1 1 calc R . . 
O11 O 0.2368(5) 0.1580(4) 0.1662(2) 0.0558(15) Uani 1 1 d . . . 
C23 C 0.1001(4) -0.0231(4) 0.2175(2) 0.0285(11) Uani 1 1 d . . . 
H23A H 0.0605 0.0082 0.1866 0.034 Uiso 1 1 calc R . . 
H23B H 0.0688 -0.0774 0.2281 0.034 Uiso 1 1 calc R . . 
C24 C 0.2378(4) 0.3275(4) 0.3246(3) 0.0308(12) Uani 1 1 d . . . 
H24A H 0.2533 0.3929 0.3296 0.037 Uiso 1 1 calc R . . 
H24B H 0.2650 0.2948 0.3589 0.037 Uiso 1 1 calc RD . . 
C25 C 0.3475(4) -0.0884(4) 0.2426(2) 0.0280(11) Uani 1 1 d . . . 
H25A H 0.3853 -0.1126 0.2767 0.034 Uiso 1 1 calc R . . 
H25B H 0.3653 -0.0243 0.2386 0.034 Uiso 1 1 calc R . . 
C26 C 0.1366(4) 0.3162(4) 0.3140(3) 0.0283(11) Uani 1 1 d . . . 
H26A H 0.1134 0.3372 0.3466 0.034 Uiso 1 1 calc R . . 
H26B H 0.1089 0.3534 0.2817 0.034 Uiso 1 1 calc R . . 
C27 C 0.2728(5) 0.3597(4) 0.2310(3) 0.0351(14) Uani 1 1 d . . . 
H27A H 0.2124 0.3864 0.2218 0.042 Uiso 1 1 calc R . . 
H27B H 0.2836 0.3279 0.1974 0.042 Uiso 1 1 calc R . . 
C28 C 0.2213(4) -0.1850(4) 0.2643(2) 0.0246(10) Uani 1 1 d . . . 
H28A H 0.1634 -0.1993 0.2403 0.030 Uiso 1 1 calc R . . 
H28B H 0.2653 -0.2304 0.2568 0.030 Uiso 1 1 calc R . . 
C29 C 0.3633(4) 0.2439(4) 0.2929(3) 0.0291(11) Uani 1 1 d . . . 
H29A H 0.4034 0.2843 0.3187 0.035 Uiso 1 1 calc R . . 
H29B H 0.3898 0.2344 0.2598 0.035 Uiso 1 1 calc R . . 
C30 C 0.0981(4) 0.2411(4) 0.4527(2) 0.0280(11) Uani 1 1 d . . . 
H30A H 0.1553 0.2559 0.4427 0.042 Uiso 1 1 calc R . . 
H30B H 0.1057 0.2362 0.4930 0.042 Uiso 1 1 calc R . . 
H30C H 0.0550 0.2893 0.4393 0.042 Uiso 1 1 calc R . . 
O19 O -0.1664(4) 0.0522(4) 0.1931(2) 0.0623(17) Uani 1 1 d . . . 
C2 C 0.1883(4) -0.0515(4) 0.2001(2) 0.0292(12) Uani 1 1 d . . . 
H2A H 0.1765 -0.0986 0.1708 0.035 Uiso 1 1 calc R . . 
H2B H 0.2156 0.0019 0.1853 0.035 Uiso 1 1 calc R . . 
C3 C 0.1460(4) -0.0379(5) 0.5209(2) 0.0359(14) Uani 1 1 d . . . 
H3A H 0.1934 -0.0285 0.5540 0.043 Uiso 1 1 calc R . . 
H3B H 0.0892 -0.0172 0.5301 0.043 Uiso 1 1 calc R . . 
C4 C 0.1295(5) -0.3296(4) 0.4770(3) 0.0383(14) Uani 1 1 d . . . 
H4A H 0.1614 -0.3209 0.5156 0.046 Uiso 1 1 calc R . . 
H4B H 0.0651 -0.3268 0.4772 0.046 Uiso 1 1 calc R . . 
C5 C 0.3683(5) -0.1436(5) 0.1923(3) 0.0374(14) Uani 1 1 d . . . 
H5A H 0.4261 -0.1746 0.2044 0.045 Uiso 1 1 calc R . . 
H5B H 0.3226 -0.1917 0.1830 0.045 Uiso 1 1 calc R . . 
C6 C 0.3405(5) 0.4387(4) 0.2440(3) 0.0407(15) Uani 1 1 d . . . 
H6A H 0.4015 0.4136 0.2522 0.049 Uiso 1 1 calc R . . 
H6B H 0.3303 0.4721 0.2772 0.049 Uiso 1 1 calc R . . 
N4 N 0.1609(6) 0.1847(5) 0.1402(2) 0.061(2) Uani 1 1 d . . . 
C8 C 0.1398(13) -0.1333(6) 0.5078(4) 0.125(7) Uani 1 1 d . . . 
H8A H 0.0945 -0.1603 0.5267 0.150 Uiso 1 1 calc R . . 
H8B H 0.1974 -0.1619 0.5240 0.150 Uiso 1 1 calc R . . 
O13 O 0.1435(7) 0.1910(7) 0.0892(2) 0.112(4) Uani 1 1 d . . . 
C7 C 0.3310(6) 0.5053(5) 0.1940(4) 0.054(2) Uani 1 1 d . . . 
H7A H 0.3415 0.4710 0.1613 0.065 Uiso 1 1 calc R . . 
H7B H 0.2691 0.5283 0.1855 0.065 Uiso 1 1 calc R . . 
C17 C 0.1526(7) -0.2506(5) 0.4424(5) 0.077(4) Uani 1 1 d . . . 
H17A H 0.2182 -0.2454 0.4497 0.093 Uiso 1 1 calc R . . 
H17B H 0.1340 -0.2681 0.4030 0.093 Uiso 1 1 calc R . . 
C12 C 0.0172(5) -0.1487(6) 0.4368(4) 0.053(2) Uani 1 1 d . . . 
H12A H -0.0012 -0.1100 0.4655 0.063 Uiso 1 1 calc R . . 
H12B H -0.0114 -0.2091 0.4374 0.063 Uiso 1 1 calc R . . 
C20 C 0.3930(8) 0.5850(6) 0.2032(5) 0.077(3) Uani 1 1 d . . . 
H20A H 0.3838 0.6190 0.2359 0.115 Uiso 1 1 calc R . . 
H20B H 0.3812 0.6250 0.1707 0.115 Uiso 1 1 calc R . . 
H20C H 0.4545 0.5633 0.2090 0.115 Uiso 1 1 calc R . . 
C22 C 0.3723(9) -0.0922(7) 0.1406(4) 0.069(3) Uani 1 1 d . . . 
H22A H 0.4182 -0.0441 0.1489 0.083 Uiso 1 1 calc R . . 
H22B H 0.3144 -0.0620 0.1271 0.083 Uiso 1 1 calc R . . 
C1 C 0.3944(9) -0.1561(8) 0.0940(4) 0.079(3) Uani 1 1 d . . . 
H1A H 0.4540 -0.1818 0.1059 0.119 Uiso 1 1 calc R . . 
H1B H 0.3923 -0.1208 0.0600 0.119 Uiso 1 1 calc R . . 
H1C H 0.3507 -0.2055 0.0870 0.119 Uiso 1 1 calc R . . 
C31 C 0.1499(12) -0.4206(10) 0.4590(7) 0.111(4) Uani 1 1 d U . . 
H31A H 0.2106 -0.4202 0.4509 0.133 Uiso 1 1 calc R . . 
H31B H 0.1081 -0.4355 0.4243 0.133 Uiso 1 1 calc R . . 
C32 C 0.1444(14) -0.4964(12) 0.5023(9) 0.145(6) Uani 1 1 d U . . 
H32A H 0.1496 -0.4689 0.5391 0.218 Uiso 1 1 calc R . . 
H32B H 0.1928 -0.5400 0.5028 0.218 Uiso 1 1 calc R . . 
H32C H 0.0873 -0.5280 0.4924 0.218 Uiso 1 1 calc R . . 
H38 H 0.078(13) 0.111(8) 0.453(5) 0.174 Uiso 1 1 d D . . 
H37 H 0.233(4) 0.0908(18) 0.3927(19) 0.05(2) Uiso 1 1 d 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 O10 2.196(4) . ? 
Dy1 O5 2.279(4) . ? 
Dy1 O20 2.429(4) . ? 
Dy1 O17 2.441(4) . ? 
Dy1 O7 2.456(4) . ? 
Dy1 O15 2.456(4) . ? 
Dy1 O18 2.465(4) . ? 
Dy1 O8 2.486(3) . ? 
Dy1 O14 2.505(4) . ? 
Co3 O5 1.870(3) . ? 
Co3 O4 1.889(4) . ? 
Co3 O1 1.913(3) . ? 
Co3 O8 1.921(3) . ? 
Co3 O6 1.927(3) . ? 
Co3 N1 1.962(4) . ? 
Co2 O6 1.891(4) . ? 
Co2 O8 1.893(3) . ? 
Co2 O9 1.901(4) . ? 
Co2 O2 1.902(3) . ? 
Co2 O7 1.904(4) . ? 
Co2 N2 1.968(4) . ? 
Co1 O9 1.960(4) . ? 
Co1 O10 1.970(4) . ? 
Co1 O12 2.112(5) . ? 
Co1 N3 2.155(5) . ? 
Co1 O7 2.200(4) . ? 
Co1 O11 2.288(5) . ? 
O14 N5 1.265(6) . ? 
O9 C16 1.405(6) . ? 
O2 C11 1.264(6) . ? 
O1 C11 1.273(6) . ? 
O8 H37 0.886(10) . ? 
O5 C13 1.397(6) . ? 
O10 C26 1.401(6) . ? 
O7 C23 1.440(6) . ? 
O15 N5 1.256(6) . ? 
N5 O16 1.218(6) . ? 
O6 C21 1.421(6) . ? 
O20 C30 1.406(7) . ? 
O20 H38 0.890(10) . ? 
O4 C3 1.413(7) . ? 
O3 C10 1.346(6) . ? 
O3 H3 0.8200 . ? 
O18 N6 1.260(6) . ? 
O17 N6 1.275(7) . ? 
N2 C2 1.490(7) . ? 
N2 C25 1.500(7) . ? 
N2 C28 1.507(7) . ? 
N1 C17 1.437(8) . ? 
N1 C8 1.454(11) . ? 
N1 C12 1.481(9) . ? 
C9 C19 1.387(7) . ? 
C9 C18 1.391(7) . ? 
C9 C11 1.469(7) . ? 
C10 C14 1.384(8) . ? 
C10 C15 1.386(8) . ? 
N3 C27 1.478(7) . ? 
N3 C29 1.485(8) . ? 
N3 C24 1.487(7) . ? 
C13 C12 1.527(9) . ? 
C13 H13A 0.9700 . ? 
C13 H13B 0.9700 . ? 
C14 C18 1.385(7) . ? 
C14 H14 0.9300 . ? 
C15 C19 1.402(8) . ? 
C15 H15 0.9300 . ? 
C16 C29 1.516(8) . ? 
C16 H16A 0.9700 . ? 
C16 H16B 0.9700 . ? 
O12 N4 1.260(9) . ? 
C18 H18 0.9300 . ? 
C19 H19 0.9300 . ? 
N6 O19 1.221(7) . ? 
C21 C28 1.491(8) . ? 
C21 H21A 0.9700 . ? 
C21 H21B 0.9700 . ? 
O11 N4 1.251(9) . ? 
C23 C2 1.523(8) . ? 
C23 H23A 0.9700 . ? 
C23 H23B 0.9700 . ? 
C24 C26 1.501(8) . ? 
C24 H24A 0.9700 . ? 
C24 H24B 0.9700 . ? 
C25 C5 1.531(8) . ? 
C25 H25A 0.9700 . ? 
C25 H25B 0.9700 . ? 
C26 H26A 0.9700 . ? 
C26 H26B 0.9700 . ? 
C27 C6 1.517(10) . ? 
C27 H27A 0.9700 . ? 
C27 H27B 0.9700 . ? 
C28 H28A 0.9700 . ? 
C28 H28B 0.9700 . ? 
C29 H29A 0.9700 . ? 
C29 H29B 0.9700 . ? 
C30 H30A 0.9600 . ? 
C30 H30B 0.9600 . ? 
C30 H30C 0.9600 . ? 
C2 H2A 0.9700 . ? 
C2 H2B 0.9700 . ? 
C3 C8 1.405(11) . ? 
C3 H3A 0.9700 . ? 
C3 H3B 0.9700 . ? 
C4 C31 1.429(15) . ? 
C4 C17 1.490(9) . ? 
C4 H4A 0.9700 . ? 
C4 H4B 0.9700 . ? 
C5 C22 1.460(11) . ? 
C5 H5A 0.9700 . ? 
C5 H5B 0.9700 . ? 
C6 C7 1.524(10) . ? 
C6 H6A 0.9700 . ? 
C6 H6B 0.9700 . ? 
N4 O13 1.210(8) . ? 
C8 H8A 0.9700 . ? 
C8 H8B 0.9700 . ? 
C7 C20 1.467(13) . ? 
C7 H7A 0.9700 . ? 
C7 H7B 0.9700 . ? 
C17 H17A 0.9700 . ? 
C17 H17B 0.9700 . ? 
C12 H12A 0.9700 . ? 
C12 H12B 0.9700 . ? 
C20 H20A 0.9600 . ? 
C20 H20B 0.9600 . ? 
C20 H20C 0.9600 . ? 
C22 C1 1.536(12) . ? 
C22 H22A 0.9700 . ? 
C22 H22B 0.9700 . ? 
C1 H1A 0.9600 . ? 
C1 H1B 0.9600 . ? 
C1 H1C 0.9600 . ? 
C31 C32 1.52(2) . ? 
C31 H31A 0.9700 . ? 
C31 H31B 0.9700 . ? 
C32 H32A 0.9600 . ? 
C32 H32B 0.9600 . ? 
C32 H32C 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 
O10 Dy1 O5 143.98(13) . . ? 
O10 Dy1 O20 92.97(14) . . ? 
O5 Dy1 O20 73.43(13) . . ? 
O10 Dy1 O17 81.71(14) . . ? 
O5 Dy1 O17 129.50(13) . . ? 
O20 Dy1 O17 141.09(14) . . ? 
O10 Dy1 O7 73.97(13) . . ? 
O5 Dy1 O7 91.90(13) . . ? 
O20 Dy1 O7 134.69(12) . . ? 
O17 Dy1 O7 80.93(13) . . ? 
O10 Dy1 O15 128.12(13) . . ? 
O5 Dy1 O15 81.31(13) . . ? 
O20 Dy1 O15 75.05(13) . . ? 
O17 Dy1 O15 78.27(14) . . ? 
O7 Dy1 O15 146.18(13) . . ? 
O10 Dy1 O18 127.94(14) . . ? 
O5 Dy1 O18 77.57(13) . . ? 
O20 Dy1 O18 137.36(14) . . ? 
O17 Dy1 O18 52.11(13) . . ? 
O7 Dy1 O18 75.99(13) . . ? 
O15 Dy1 O18 70.19(14) . . ? 
O10 Dy1 O8 79.30(13) . . ? 
O5 Dy1 O8 64.84(12) . . ? 
O20 Dy1 O8 71.90(12) . . ? 
O17 Dy1 O8 142.77(13) . . ? 
O7 Dy1 O8 63.16(11) . . ? 
O15 Dy1 O8 137.89(12) . . ? 
O18 Dy1 O8 121.67(12) . . ? 
O10 Dy1 O14 77.09(13) . . ? 
O5 Dy1 O14 124.82(13) . . ? 
O20 Dy1 O14 68.72(12) . . ? 
O17 Dy1 O14 72.54(13) . . ? 
O7 Dy1 O14 143.04(12) . . ? 
O15 Dy1 O14 51.33(13) . . ? 
O18 Dy1 O14 105.45(13) . . ? 
O8 Dy1 O14 132.36(12) . . ? 
O5 Co3 O4 91.98(16) . . ? 
O5 Co3 O1 179.24(16) . . ? 
O4 Co3 O1 88.68(15) . . ? 
O5 Co3 O8 84.93(15) . . ? 
O4 Co3 O8 88.87(15) . . ? 
O1 Co3 O8 94.71(15) . . ? 
O5 Co3 O6 88.23(16) . . ? 
O4 Co3 O6 170.16(15) . . ? 
O1 Co3 O6 91.05(15) . . ? 
O8 Co3 O6 81.35(14) . . ? 
O5 Co3 N1 86.64(17) . . ? 
O4 Co3 N1 87.87(18) . . ? 
O1 Co3 N1 93.76(17) . . ? 
O8 Co3 N1 170.85(17) . . ? 
O6 Co3 N1 101.97(18) . . ? 
O6 Co2 O8 83.05(15) . . ? 
O6 Co2 O9 177.12(16) . . ? 
O8 Co2 O9 96.01(15) . . ? 
O6 Co2 O2 92.74(15) . . ? 
O8 Co2 O2 91.61(15) . . ? 
O9 Co2 O2 90.01(15) . . ? 
O6 Co2 O7 92.36(16) . . ? 
O8 Co2 O7 85.95(15) . . ? 
O9 Co2 O7 84.85(16) . . ? 
O2 Co2 O7 174.03(16) . . ? 
O6 Co2 N2 86.31(17) . . ? 
O8 Co2 N2 168.00(17) . . ? 
O9 Co2 N2 94.36(17) . . ? 
O2 Co2 N2 94.42(17) . . ? 
O7 Co2 N2 88.99(18) . . ? 
O9 Co1 O10 111.88(16) . . ? 
O9 Co1 O12 143.40(18) . . ? 
O10 Co1 O12 103.20(19) . . ? 
O9 Co1 N3 84.82(17) . . ? 
O10 Co1 N3 84.17(17) . . ? 
O12 Co1 N3 109.4(2) . . ? 
O9 Co1 O7 75.96(14) . . ? 
O10 Co1 O7 84.41(15) . . ? 
O12 Co1 O7 98.0(2) . . ? 
N3 Co1 O7 152.05(16) . . ? 
O9 Co1 O11 88.97(18) . . ? 
O10 Co1 O11 158.40(17) . . ? 
O12 Co1 O11 57.8(2) . . ? 
N3 Co1 O11 92.5(2) . . ? 
O7 Co1 O11 107.02(18) . . ? 
N5 O14 Dy1 94.4(3) . . ? 
C16 O9 Co2 123.5(3) . . ? 
C16 O9 Co1 112.3(3) . . ? 
Co2 O9 Co1 102.71(18) . . ? 
C11 O2 Co2 126.7(3) . . ? 
C11 O1 Co3 124.2(3) . . ? 
Co2 O8 Co3 95.13(15) . . ? 
Co2 O8 Dy1 104.53(14) . . ? 
Co3 O8 Dy1 100.35(14) . . ? 
Co2 O8 H37 113(5) . . ? 
Co3 O8 H37 113.3(15) . . ? 
Dy1 O8 H37 126(4) . . ? 
C13 O5 Co3 110.2(3) . . ? 
C13 O5 Dy1 133.6(3) . . ? 
Co3 O5 Dy1 109.87(16) . . ? 
C26 O10 Co1 109.4(3) . . ? 
C26 O10 Dy1 142.0(3) . . ? 
Co1 O10 Dy1 108.50(17) . . ? 
C23 O7 Co2 108.7(3) . . ? 
C23 O7 Co1 117.0(3) . . ? 
Co2 O7 Co1 94.29(16) . . ? 
C23 O7 Dy1 131.8(3) . . ? 
Co2 O7 Dy1 105.27(15) . . ? 
Co1 O7 Dy1 93.03(13) . . ? 
N5 O15 Dy1 97.0(3) . . ? 
O16 N5 O15 122.1(5) . . ? 
O16 N5 O14 120.9(5) . . ? 
O15 N5 O14 117.0(5) . . ? 
C21 O6 Co2 107.1(3) . . ? 
C21 O6 Co3 128.8(3) . . ? 
Co2 O6 Co3 94.98(15) . . ? 
C30 O20 Dy1 130.5(3) . . ? 
C30 O20 H38 109(10) . . ? 
Dy1 O20 H38 117(10) . . ? 
C3 O4 Co3 112.1(4) . . ? 
C10 O3 H3 109.5 . . ? 
N6 O18 Dy1 95.2(3) . . ? 
N6 O17 Dy1 96.0(3) . . ? 
C2 N2 C25 111.4(4) . . ? 
C2 N2 C28 109.9(4) . . ? 
C25 N2 C28 111.6(4) . . ? 
C2 N2 Co2 104.0(3) . . ? 
C25 N2 Co2 112.9(3) . . ? 
C28 N2 Co2 106.7(3) . . ? 
C17 N1 C8 108.3(8) . . ? 
C17 N1 C12 117.2(7) . . ? 
C8 N1 C12 101.4(9) . . ? 
C17 N1 Co3 118.4(4) . . ? 
C8 N1 Co3 103.6(4) . . ? 
C12 N1 Co3 105.8(4) . . ? 
C19 C9 C18 119.1(5) . . ? 
C19 C9 C11 119.4(5) . . ? 
C18 C9 C11 121.5(5) . . ? 
O3 C10 C14 119.2(5) . . ? 
O3 C10 C15 120.7(5) . . ? 
C14 C10 C15 120.0(5) . . ? 
O2 C11 O1 125.6(4) . . ? 
O2 C11 C9 117.3(4) . . ? 
O1 C11 C9 117.1(4) . . ? 
C27 N3 C29 112.4(5) . . ? 
C27 N3 C24 112.1(5) . . ? 
C29 N3 C24 113.1(5) . . ? 
C27 N3 Co1 113.3(4) . . ? 
C29 N3 Co1 102.1(3) . . ? 
C24 N3 Co1 103.1(3) . . ? 
O5 C13 C12 103.7(5) . . ? 
O5 C13 H13A 111.0 . . ? 
C12 C13 H13A 111.0 . . ? 
O5 C13 H13B 111.0 . . ? 
C12 C13 H13B 111.0 . . ? 
H13A C13 H13B 109.0 . . ? 
C10 C14 C18 120.6(5) . . ? 
C10 C14 H14 119.7 . . ? 
C18 C14 H14 119.7 . . ? 
C10 C15 C19 119.1(5) . . ? 
C10 C15 H15 120.5 . . ? 
C19 C15 H15 120.5 . . ? 
O9 C16 C29 108.8(4) . . ? 
O9 C16 H16A 109.9 . . ? 
C29 C16 H16A 109.9 . . ? 
O9 C16 H16B 109.9 . . ? 
C29 C16 H16B 109.9 . . ? 
H16A C16 H16B 108.3 . . ? 
N4 O12 Co1 97.0(5) . . ? 
C14 C18 C9 120.2(5) . . ? 
C14 C18 H18 119.9 . . ? 
C9 C18 H18 119.9 . . ? 
C9 C19 C15 120.9(5) . . ? 
C9 C19 H19 119.5 . . ? 
C15 C19 H19 119.5 . . ? 
O19 N6 O18 121.7(5) . . ? 
O19 N6 O17 121.9(5) . . ? 
O18 N6 O17 116.4(4) . . ? 
O6 C21 C28 106.9(4) . . ? 
O6 C21 H21A 110.3 . . ? 
C28 C21 H21A 110.3 . . ? 
O6 C21 H21B 110.3 . . ? 
C28 C21 H21B 110.3 . . ? 
H21A C21 H21B 108.6 . . ? 
N4 O11 Co1 89.0(4) . . ? 
O7 C23 C2 106.5(5) . . ? 
O7 C23 H23A 110.4 . . ? 
C2 C23 H23A 110.4 . . ? 
O7 C23 H23B 110.4 . . ? 
C2 C23 H23B 110.4 . . ? 
H23A C23 H23B 108.6 . . ? 
N3 C24 C26 109.5(5) . . ? 
N3 C24 H24A 109.8 . . ? 
C26 C24 H24A 109.8 . . ? 
N3 C24 H24B 109.8 . . ? 
C26 C24 H24B 109.8 . . ? 
H24A C24 H24B 108.2 . . ? 
N2 C25 C5 116.9(5) . . ? 
N2 C25 H25A 108.1 . . ? 
C5 C25 H25A 108.1 . . ? 
N2 C25 H25B 108.1 . . ? 
C5 C25 H25B 108.1 . . ? 
H25A C25 H25B 107.3 . . ? 
O10 C26 C24 109.0(5) . . ? 
O10 C26 H26A 109.9 . . ? 
C24 C26 H26A 109.9 . . ? 
O10 C26 H26B 109.9 . . ? 
C24 C26 H26B 109.9 . . ? 
H26A C26 H26B 108.3 . . ? 
N3 C27 C6 116.6(6) . . ? 
N3 C27 H27A 108.1 . . ? 
C6 C27 H27A 108.1 . . ? 
N3 C27 H27B 108.1 . . ? 
C6 C27 H27B 108.1 . . ? 
H27A C27 H27B 107.3 . . ? 
C21 C28 N2 110.5(4) . . ? 
C21 C28 H28A 109.6 . . ? 
N2 C28 H28A 109.6 . . ? 
C21 C28 H28B 109.6 . . ? 
N2 C28 H28B 109.6 . . ? 
H28A C28 H28B 108.1 . . ? 
N3 C29 C16 111.5(5) . . ? 
N3 C29 H29A 109.3 . . ? 
C16 C29 H29A 109.3 . . ? 
N3 C29 H29B 109.3 . . ? 
C16 C29 H29B 109.3 . . ? 
H29A C29 H29B 108.0 . . ? 
O20 C30 H30A 109.5 . . ? 
O20 C30 H30B 109.5 . . ? 
H30A C30 H30B 109.5 . . ? 
O20 C30 H30C 109.5 . . ? 
H30A C30 H30C 109.5 . . ? 
H30B C30 H30C 109.5 . . ? 
N2 C2 C23 108.6(4) . . ? 
N2 C2 H2A 110.0 . . ? 
C23 C2 H2A 110.0 . . ? 
N2 C2 H2B 110.0 . . ? 
C23 C2 H2B 110.0 . . ? 
H2A C2 H2B 108.4 . . ? 
C8 C3 O4 112.3(5) . . ? 
C8 C3 H3A 109.1 . . ? 
O4 C3 H3A 109.1 . . ? 
C8 C3 H3B 109.1 . . ? 
O4 C3 H3B 109.1 . . ? 
H3A C3 H3B 107.9 . . ? 
C31 C4 C17 116.2(8) . . ? 
C31 C4 H4A 108.2 . . ? 
C17 C4 H4A 108.2 . . ? 
C31 C4 H4B 108.2 . . ? 
C17 C4 H4B 108.2 . . ? 
H4A C4 H4B 107.4 . . ? 
C22 C5 C25 117.6(6) . . ? 
C22 C5 H5A 107.9 . . ? 
C25 C5 H5A 107.9 . . ? 
C22 C5 H5B 107.9 . . ? 
C25 C5 H5B 107.9 . . ? 
H5A C5 H5B 107.2 . . ? 
C27 C6 C7 110.5(7) . . ? 
C27 C6 H6A 109.6 . . ? 
C7 C6 H6A 109.6 . . ? 
C27 C6 H6B 109.6 . . ? 
C7 C6 H6B 109.6 . . ? 
H6A C6 H6B 108.1 . . ? 
O13 N4 O11 121.9(8) . . ? 
O13 N4 O12 121.9(8) . . ? 
O11 N4 O12 116.2(6) . . ? 
C3 C8 N1 117.6(7) . . ? 
C3 C8 H8A 107.9 . . ? 
N1 C8 H8A 107.9 . . ? 
C3 C8 H8B 107.9 . . ? 
N1 C8 H8B 107.9 . . ? 
H8A C8 H8B 107.2 . . ? 
C20 C7 C6 114.3(8) . . ? 
C20 C7 H7A 108.7 . . ? 
C6 C7 H7A 108.7 . . ? 
C20 C7 H7B 108.7 . . ? 
C6 C7 H7B 108.7 . . ? 
H7A C7 H7B 107.6 . . ? 
N1 C17 C4 120.5(6) . . ? 
N1 C17 H17A 107.2 . . ? 
C4 C17 H17A 107.2 . . ? 
N1 C17 H17B 107.2 . . ? 
C4 C17 H17B 107.2 . . ? 
H17A C17 H17B 106.8 . . ? 
N1 C12 C13 108.6(6) . . ? 
N1 C12 H12A 110.0 . . ? 
C13 C12 H12A 110.0 . . ? 
N1 C12 H12B 110.0 . . ? 
C13 C12 H12B 110.0 . . ? 
H12A C12 H12B 108.3 . . ? 
C7 C20 H20A 109.5 . . ? 
C7 C20 H20B 109.5 . . ? 
H20A C20 H20B 109.5 . . ? 
C7 C20 H20C 109.5 . . ? 
H20A C20 H20C 109.5 . . ? 
H20B C20 H20C 109.5 . . ? 
C5 C22 C1 111.9(8) . . ? 
C5 C22 H22A 109.2 . . ? 
C1 C22 H22A 109.2 . . ? 
C5 C22 H22B 109.2 . . ? 
C1 C22 H22B 109.2 . . ? 
H22A C22 H22B 107.9 . . ? 
C22 C1 H1A 109.5 . . ? 
C22 C1 H1B 109.5 . . ? 
H1A C1 H1B 109.5 . . ? 
C22 C1 H1C 109.5 . . ? 
H1A C1 H1C 109.5 . . ? 
H1B C1 H1C 109.5 . . ? 
C4 C31 C32 113.8(13) . . ? 
C4 C31 H31A 108.8 . . ? 
C32 C31 H31A 108.8 . . ? 
C4 C31 H31B 108.8 . . ? 
C32 C31 H31B 108.8 . . ? 
H31A C31 H31B 107.7 . . ? 
C31 C32 H32A 109.5 . . ? 
C31 C32 H32B 109.5 . . ? 
H32A C32 H32B 109.5 . . ? 
C31 C32 H32C 109.5 . . ? 
H32A C32 H32C 109.5 . . ? 
H32B C32 H32C 109.5 . . ? 
 
_diffrn_measured_fraction_theta_max    0.973 
_diffrn_reflns_theta_full              30.62 
_diffrn_measured_fraction_theta_full   0.973 
_refine_diff_density_max    3.615 
_refine_diff_density_min   -2.293 
_refine_diff_density_rms    0.209 
 
data_c:\x-seed\co(iii~2\basl999a 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C32 H61 Co3 Gd N6 O20' 
_chemical_formula_weight          1183.91 
 
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' 
 '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' 
 'Co'  'Co'   0.3494   0.9721 
 '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' 
 
_symmetry_cell_setting            monoclinic
_symmetry_space_group_name_H-M    p21/c 
 
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                    15.6274(9) 
_cell_length_b                    14.5047(7) 
_cell_length_c                    24.1348(11) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  102.803(5) 
_cell_angle_gamma                 90.00 
_cell_volume                      5334.6(5) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     173(2) 
_cell_measurement_reflns_used     8595 
_cell_measurement_theta_min       2.14
_cell_measurement_theta_max       28.73 
 
_exptl_crystal_description        plate 
_exptl_crystal_colour             green 
_exptl_crystal_size_max           0.6 
_exptl_crystal_size_mid           0.4 
_exptl_crystal_size_min           0.1
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.474 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2400 
_exptl_absorpt_coefficient_mu     2.212 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.360 
_exptl_absorpt_correction_T_max   0.802
_exptl_absorpt_process_details    SADABS 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       173(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator   'mirror'
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at zero, Atlas'  
_diffrn_measurement_method        'scans in phi and omega' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             43391 
_diffrn_reflns_av_R_equivalents   0.0685 
_diffrn_reflns_av_sigmaI/netI     0.0577 
_diffrn_reflns_limit_h_min        -20 
_diffrn_reflns_limit_h_max        18 
_diffrn_reflns_limit_k_min        -18 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        -31 
_diffrn_reflns_limit_l_max        30 
_diffrn_reflns_theta_min          2.94 
_diffrn_reflns_theta_max          27.50 
_reflns_number_total              12188 
_reflns_number_gt                 8761 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
; 
_computing_cell_refinement        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
; 
_computing_data_reduction         
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
; 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_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.
The structure was solved by direct methods. The asymmetric unit contains
the entire cluster.
All non-H atoms are refined anisotropically. The H-atoms are placed in calculated
positions except for the hydroxide H-atom and O-H atoms found on the coordinated 
MeOH ligand, which were found. Bond (DFIX) restraints were placed on these.  
; 
 
_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)+(0.1045P)²+4.8170P] 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          12188 
_refine_ls_number_parameters      574 
_refine_ls_number_restraints      55 
_refine_ls_R_factor_all           0.0856 
_refine_ls_R_factor_gt            0.0610 
_refine_ls_wR_factor_ref          0.2008 
_refine_ls_wR_factor_gt           0.1737 
_refine_ls_goodness_of_fit_ref    1.078 
_refine_ls_restrained_S_all       1.093 
_refine_ls_shift/su_max           0.002 
_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 0.038841(19) 0.38329(2) 0.830551(12) 0.04873(13) Uani 1 1 d . . . 
Co2 Co 0.22765(5) 0.49961(6) 0.81046(3) 0.0463(2) Uani 1 1 d . . . 
Co3 Co 0.16897(5) 0.54979(6) 0.90907(3) 0.0470(2) Uani 1 1 d . . . 
Co1 Co 0.18005(6) 0.31824(7) 0.74884(4) 0.0565(2) Uani 1 1 d . . . 
O7 O 0.1212(3) 0.4527(3) 0.76462(16) 0.0515(10) Uani 1 1 d . . . 
O8 O 0.1935(3) 0.4379(3) 0.87172(16) 0.0465(9) Uani 1 1 d . . . 
H9 H 0.2357 0.3929 0.8944 0.056 Uiso 1 1 calc R . . 
O5 O 0.0506(3) 0.5190(3) 0.88159(18) 0.0538(10) Uani 1 1 d . . . 
O6 O 0.1684(3) 0.6005(3) 0.83505(17) 0.0504(10) Uani 1 1 d . . . 
N4 N 0.1526(8) 0.3078(7) 0.6397(4) 0.118(3) Uani 1 1 d . . . 
O20 O 0.0779(3) 0.3404(4) 0.9308(2) 0.0663(12) Uani 1 1 d D . . 
O14 O -0.0613(4) 0.3451(4) 0.7389(2) 0.0727(13) Uani 1 1 d . . . 
O17 O -0.0452(3) 0.2427(4) 0.8478(2) 0.0665(12) Uani 1 1 d . . . 
O4 O 0.1757(3) 0.4807(3) 0.97660(16) 0.0535(10) Uani 1 1 d . . . 
O18 O -0.1037(3) 0.3732(4) 0.8607(2) 0.0718(14) Uani 1 1 d . . . 
O1 O 0.2902(3) 0.5812(3) 0.93519(17) 0.0518(9) Uani 1 1 d . . . 
O3 O 0.6963(3) 0.6325(4) 1.0273(2) 0.0627(12) Uani 1 1 d . . . 
H3A H 0.7324 0.6127 1.0090 0.075 Uiso 1 1 calc R . . 
O15 O -0.0722(3) 0.4840(3) 0.7682(2) 0.0651(12) Uani 1 1 d . . . 
O2 O 0.3382(3) 0.5345(3) 0.85771(16) 0.0484(9) Uani 1 1 d . . . 
O10 O 0.1177(3) 0.2688(3) 0.80482(19) 0.0582(11) Uani 1 1 d . . . 
O9 O 0.2807(3) 0.3957(3) 0.78393(18) 0.0534(10) Uani 1 1 d . . . 
N3 N 0.2688(4) 0.2042(4) 0.7749(3) 0.0667(15) Uani 1 1 d . . . 
N5 N -0.1055(4) 0.2859(5) 0.8637(2) 0.0695(17) Uani 1 1 d . . . 
N1 N 0.1260(4) 0.6547(4) 0.9464(2) 0.0610(14) Uani 1 1 d . . . 
O19 O -0.1629(4) 0.2471(5) 0.8809(3) 0.103(2) Uani 1 1 d . . . 
O12 O 0.1032(7) 0.2933(6) 0.6697(3) 0.126(3) Uani 1 1 d . . . 
C2 C 0.4414(4) 0.5884(4) 0.9377(3) 0.0491(13) Uani 1 1 d . . . 
C6 C 0.5453(4) 0.6571(5) 1.0155(3) 0.0603(16) Uani 1 1 d . . . 
H6 H 0.5566 0.6945 1.0486 0.072 Uiso 1 1 calc R . . 
N2 N 0.2398(3) 0.5786(4) 0.7462(2) 0.0543(12) Uani 1 1 d . . . 
C1 C 0.3502(4) 0.5663(4) 0.9073(2) 0.0463(13) Uani 1 1 d . . . 
C5 C 0.6135(4) 0.6185(4) 0.9965(3) 0.0531(15) Uani 1 1 d . . . 
O11 O 0.2299(7) 0.3346(6) 0.6622(3) 0.139(3) Uani 1 1 d . . . 
C41 C 0.1038(6) 0.2583(6) 0.9600(4) 0.084(2) Uani 1 1 d . . . 
H41A H 0.0549 0.2144 0.9526 0.126 Uiso 1 1 calc R . . 
H41B H 0.1210 0.2708 1.0009 0.126 Uiso 1 1 calc R . . 
H41C H 0.1538 0.2320 0.9471 0.126 Uiso 1 1 calc R . . 
O16 O -0.1627(5) 0.4364(5) 0.6925(3) 0.115(3) Uani 1 1 d . . . 
C7 C 0.4597(5) 0.6412(5) 0.9863(3) 0.0603(16) Uani 1 1 d . . . 
H7 H 0.4127 0.6673 1.0000 0.072 Uiso 1 1 calc R . . 
C16 C 0.3551(5) 0.2507(6) 0.7894(4) 0.075(2) Uani 1 1 d . . . 
H16A H 0.3768 0.2601 0.7542 0.090 Uiso 1 1 calc R . . 
H16B H 0.3976 0.2104 0.8149 0.090 Uiso 1 1 calc R . . 
C3 C 0.5115(5) 0.5526(6) 0.9188(3) 0.0669(18) Uani 1 1 d . . . 
H3 H 0.5004 0.5178 0.8846 0.080 Uiso 1 1 calc R . . 
C29 C 0.3382(6) 0.6230(7) 0.6784(4) 0.085(3) Uani 1 1 d . . . 
H29A H 0.2978 0.5921 0.6464 0.102 Uiso 1 1 calc R . . 
H29B H 0.3187 0.6878 0.6793 0.102 Uiso 1 1 calc R . . 
C27 C 0.2083(5) 0.6836(5) 0.8207(3) 0.0588(16) Uani 1 1 d . . . 
H27A H 0.2679 0.6909 0.8450 0.071 Uiso 1 1 calc R . . 
H27B H 0.1726 0.7379 0.8261 0.071 Uiso 1 1 calc R . . 
C24 C 0.1740(5) 0.5394(5) 0.6961(3) 0.0631(17) Uani 1 1 d . . . 
H24A H 0.1992 0.4850 0.6806 0.076 Uiso 1 1 calc R . . 
H24B H 0.1589 0.5862 0.6656 0.076 Uiso 1 1 calc R . . 
C8 C 0.0377(9) 0.6678(9) 0.9147(6) 0.161(5) Uani 1 1 d U . . 
H8A H 0.0011 0.6820 0.9422 0.193 Uiso 1 1 calc RD . . 
H8B H 0.0373 0.7233 0.8907 0.193 Uiso 1 1 calc R . . 
C11 C 0.1636(6) 0.5429(8) 1.0205(3) 0.091(3) Uani 1 1 d . . . 
H11A H 0.1284 0.5113 1.0443 0.109 Uiso 1 1 calc R . . 
H11B H 0.2217 0.5569 1.0451 0.109 Uiso 1 1 calc R . . 
N6 N -0.1017(4) 0.4223(5) 0.7319(3) 0.0739(17) Uani 1 1 d . . . 
C18 C 0.2402(5) 0.1673(6) 0.8250(4) 0.074(2) Uani 1 1 d . . . 
H18A H 0.2706 0.2007 0.8595 0.089 Uiso 1 1 calc R . . 
H18B H 0.2562 0.1013 0.8299 0.089 Uiso 1 1 calc R . . 
C4 C 0.5980(5) 0.5654(5) 0.9479(3) 0.0642(17) Uani 1 1 d . . . 
H4 H 0.6451 0.5383 0.9347 0.077 Uiso 1 1 calc R . . 
C21 C 0.3291(6) 0.0552(6) 0.7408(5) 0.095(3) Uani 1 1 d . . . 
H21A H 0.3241 0.0226 0.7760 0.114 Uiso 1 1 calc R . . 
H21B H 0.3889 0.0814 0.7469 0.114 Uiso 1 1 calc R . . 
C28 C 0.3300(5) 0.5758(6) 0.7342(3) 0.0658(18) Uani 1 1 d . . . 
H28A H 0.3481 0.5106 0.7330 0.079 Uiso 1 1 calc R . . 
H28B H 0.3714 0.6058 0.7661 0.079 Uiso 1 1 calc R . . 
C26 C 0.2129(5) 0.6748(5) 0.7594(3) 0.0616(17) Uani 1 1 d . . . 
H26A H 0.2559 0.7198 0.7509 0.074 Uiso 1 1 calc R . . 
H26B H 0.1548 0.6894 0.7349 0.074 Uiso 1 1 calc R . . 
C9 C -0.0034(5) 0.5977(5) 0.8798(3) 0.0686(19) Uani 1 1 d . . . 
H9A H -0.0200 0.6206 0.8402 0.082 Uiso 1 1 calc R . . 
H9B H -0.0578 0.5801 0.8916 0.082 Uiso 1 1 calc R . . 
C19 C 0.1429(5) 0.1779(5) 0.8174(3) 0.0684(19) Uani 1 1 d . . . 
H19A H 0.1126 0.1373 0.7863 0.082 Uiso 1 1 calc R . . 
H19B H 0.1254 0.1589 0.8527 0.082 Uiso 1 1 calc R . . 
C17 C 0.3508(4) 0.3431(5) 0.8181(3) 0.0619(17) Uani 1 1 d . . . 
H17A H 0.3399 0.3337 0.8566 0.074 Uiso 1 1 calc R . . 
H17B H 0.4071 0.3763 0.8218 0.074 Uiso 1 1 calc R . . 
C25 C 0.0923(5) 0.5116(5) 0.7163(3) 0.0632(17) Uani 1 1 d . . . 
H25A H 0.0625 0.5668 0.7271 0.076 Uiso 1 1 calc R . . 
H25B H 0.0509 0.4784 0.6859 0.076 Uiso 1 1 calc R . . 
C13 C 0.1387(7) 0.8242(6) 0.9740(4) 0.092(3) Uani 1 1 d U . . 
H13A H 0.0762 0.8143 0.9747 0.111 Uiso 1 1 calc R A 1 
H13B H 0.1716 0.8281 1.0141 0.111 Uiso 1 1 calc R A 1 
C10 C 0.1230(11) 0.6243(8) 1.0015(5) 0.135(4) Uani 1 1 d U . . 
H10A H 0.1491 0.6732 1.0286 0.163 Uiso 1 1 calc R . . 
H10B H 0.0605 0.6188 1.0032 0.163 Uiso 1 1 calc RD . . 
C20 C 0.2630(6) 0.1321(6) 0.7295(4) 0.081(2) Uani 1 1 d . . . 
H20A H 0.2037 0.1044 0.7225 0.097 Uiso 1 1 calc R . . 
H20B H 0.2686 0.1634 0.6940 0.097 Uiso 1 1 calc R . . 
C12 C 0.1702(8) 0.7408(6) 0.9481(5) 0.105(3) Uani 1 1 d U B . 
H12A H 0.1714 0.7570 0.9084 0.126 Uiso 1 1 calc R . . 
H12B H 0.2318 0.7304 0.9683 0.126 Uiso 1 1 calc R . . 
O13 O 0.1327(9) 0.3020(12) 0.5870(3) 0.245(9) Uani 1 1 d . . . 
C22 C 0.3160(9) -0.0128(8) 0.6925(6) 0.124(4) Uani 1 1 d . . . 
H22A H 0.2570 -0.0407 0.6880 0.149 Uiso 1 1 calc R . . 
H22B H 0.3170 0.0212 0.6571 0.149 Uiso 1 1 calc R . . 
C30 C 0.4241(8) 0.6223(10) 0.6675(6) 0.124(4) Uani 1 1 d . . . 
H30A H 0.4451 0.5580 0.6676 0.149 Uiso 1 1 calc R . . 
H30B H 0.4646 0.6563 0.6980 0.149 Uiso 1 1 calc R . . 
C31 C 0.4245(9) 0.6679(11) 0.6089(5) 0.145(5) Uani 1 1 d . . . 
H31A H 0.4843 0.6671 0.6026 0.217 Uiso 1 1 calc R . . 
H31B H 0.4040 0.7317 0.6089 0.217 Uiso 1 1 calc R . . 
H31C H 0.3856 0.6333 0.5786 0.217 Uiso 1 1 calc R . . 
C14 C 0.145(2) 0.9103(16) 0.9484(13) 0.132(6) Uani 0.56(2) 1 d PU B 1 
H14A H 0.0960 0.9192 0.9152 0.158 Uiso 0.56(2) 1 calc PR B 1 
H14B H 0.2012 0.9147 0.9356 0.158 Uiso 0.56(2) 1 calc PR B 1 
C23 C 0.3782(12) -0.0842(10) 0.6987(8) 0.177(7) Uani 1 1 d . . . 
H23A H 0.3645 -0.1247 0.6654 0.266 Uiso 1 1 calc R . . 
H23B H 0.3767 -0.1199 0.7330 0.266 Uiso 1 1 calc R . . 
H23C H 0.4369 -0.0578 0.7021 0.266 Uiso 1 1 calc R . . 
C15 C 0.1420(14) 0.9892(11) 0.9981(8) 0.200(6) Uani 1 1 d U . . 
H15A H 0.1825 1.0395 0.9951 0.299 Uiso 1 1 calc R B 1 
H15B H 0.1592 0.9608 1.0358 0.299 Uiso 1 1 calc R B 1 
H15C H 0.0822 1.0136 0.9927 0.299 Uiso 1 1 calc R B 1 
C14' C 0.204(2) 0.8991(16) 0.9934(15) 0.112(10) Uani 0.44(2) 1 d PU B 2 
H14C H 0.2410 0.9099 0.9654 0.135 Uiso 0.44(2) 1 calc PR B 2 
H14D H 0.2430 0.8841 1.0307 0.135 Uiso 0.44(2) 1 calc PR B 2 
H36 H 0.105(7) 0.388(5) 0.951(4) 0.135 Uiso 1 1 d 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 
Gd1 O10 2.237(4) . ? 
Gd1 O5 2.307(4) . ? 
Gd1 O20 2.440(5) . ? 
Gd1 O7 2.471(4) . ? 
Gd1 O14 2.473(5) . ? 
Gd1 O18 2.496(5) . ? 
Gd1 O15 2.501(5) . ? 
Gd1 O17 2.510(5) . ? 
Gd1 O8 2.529(4) . ? 
Co2 O6 1.896(4) . ? 
Co2 O9 1.898(4) . ? 
Co2 O8 1.903(4) . ? 
Co2 O7 1.908(4) . ? 
Co2 O2 1.915(4) . ? 
Co2 N2 1.971(5) . ? 
Co3 O5 1.876(4) . ? 
Co3 O4 1.897(4) . ? 
Co3 O1 1.915(4) . ? 
Co3 O6 1.930(4) . ? 
Co3 O8 1.935(4) . ? 
Co3 N1 1.961(6) . ? 
Co1 O9 1.965(4) . ? 
Co1 O10 1.968(4) . ? 
Co1 O12 2.051(7) . ? 
Co1 N3 2.160(6) . ? 
Co1 O7 2.225(4) . ? 
Co1 O11 2.399(8) . ? 
O7 C25 1.435(7) . ? 
O8 H9 1.0000 . ? 
O5 C9 1.415(8) . ? 
O6 C27 1.434(8) . ? 
N4 O12 1.188(12) . ? 
N4 O13 1.245(11) . ? 
N4 O11 1.271(13) . ? 
O20 C41 1.399(10) . ? 
O20 H36 0.892(11) . ? 
O14 N6 1.279(9) . ? 
O17 N5 1.261(8) . ? 
O4 C11 1.436(9) . ? 
O18 N5 1.269(8) . ? 
O1 C1 1.287(7) . ? 
O3 C5 1.357(8) . ? 
O3 H3A 0.8400 . ? 
O15 N6 1.265(8) . ? 
O2 C1 1.258(7) . ? 
O10 C19 1.390(9) . ? 
O9 C17 1.437(8) . ? 
N3 C18 1.477(10) . ? 
N3 C16 1.479(10) . ? 
N3 C20 1.504(9) . ? 
N5 O19 1.208(8) . ? 
N1 C10 1.412(13) . ? 
N1 C12 1.423(11) . ? 
N1 C8 1.435(13) . ? 
C2 C7 1.376(9) . ? 
C2 C3 1.378(9) . ? 
C2 C1 1.486(8) . ? 
C6 C5 1.369(10) . ? 
C6 C7 1.386(9) . ? 
C6 H6 0.9500 . ? 
N2 C28 1.501(9) . ? 
N2 C26 1.512(9) . ? 
N2 C24 1.514(8) . ? 
C5 C4 1.379(9) . ? 
C41 H41A 0.9800 . ? 
C41 H41B 0.9800 . ? 
C41 H41C 0.9800 . ? 
O16 N6 1.204(8) . ? 
C7 H7 0.9500 . ? 
C16 C17 1.518(10) . ? 
C16 H16A 0.9900 . ? 
C16 H16B 0.9900 . ? 
C3 C4 1.390(10) . ? 
C3 H3 0.9500 . ? 
C29 C30 1.424(14) . ? 
C29 C28 1.542(10) . ? 
C29 H29A 0.9900 . ? 
C29 H29B 0.9900 . ? 
C27 C26 1.503(10) . ? 
C27 H27A 0.9900 . ? 
C27 H27B 0.9900 . ? 
C24 C25 1.518(10) . ? 
C24 H24A 0.9900 . ? 
C24 H24B 0.9900 . ? 
C8 C9 1.384(14) . ? 
C8 H8A 0.9900 . ? 
C8 H8B 0.9900 . ? 
C11 C10 1.370(13) . ? 
C11 H11A 0.9900 . ? 
C11 H11B 0.9900 . ? 
C18 C19 1.499(11) . ? 
C18 H18A 0.9900 . ? 
C18 H18B 0.9900 . ? 
C4 H4 0.9500 . ? 
C21 C20 1.504(13) . ? 
C21 C22 1.505(13) . ? 
C21 H21A 0.9900 . ? 
C21 H21B 0.9900 . ? 
C28 H28A 0.9900 . ? 
C28 H28B 0.9900 . ? 
C26 H26A 0.9900 . ? 
C26 H26B 0.9900 . ? 
C9 H9A 0.9900 . ? 
C9 H9B 0.9900 . ? 
C19 H19A 0.9900 . ? 
C19 H19B 0.9900 . ? 
C17 H17A 0.9900 . ? 
C17 H17B 0.9900 . ? 
C25 H25A 0.9900 . ? 
C25 H25B 0.9900 . ? 
C13 C14 1.41(3) . ? 
C13 C14' 1.50(3) . ? 
C13 C12 1.495(11) . ? 
C13 H13A 0.9900 . ? 
C13 H13B 0.9900 . ? 
C10 H10A 0.9900 . ? 
C10 H10B 0.9900 . ? 
C20 H20A 0.9900 . ? 
C20 H20B 0.9900 . ? 
C12 H12A 0.9900 . ? 
C12 H12B 0.9900 . ? 
C22 C23 1.406(17) . ? 
C22 H22A 0.9900 . ? 
C22 H22B 0.9900 . ? 
C30 C31 1.562(15) . ? 
C30 H30A 0.9900 . ? 
C30 H30B 0.9900 . ? 
C31 H31A 0.9800 . ? 
C31 H31B 0.9800 . ? 
C31 H31C 0.9800 . ? 
C14 C15 1.67(3) . ? 
C14 H14A 0.9900 . ? 
C14 H14B 0.9900 . ? 
C23 H23A 0.9800 . ? 
C23 H23B 0.9800 . ? 
C23 H23C 0.9800 . ? 
C15 C14' 1.65(3) . ? 
C15 H15A 0.9800 . ? 
C15 H15B 0.9800 . ? 
C15 H15C 0.9800 . ? 
C14' H14C 0.9900 . ? 
C14' H14D 0.9900 . ? 
 
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 
O10 Gd1 O5 142.93(16) . . ? 
O10 Gd1 O20 93.08(17) . . ? 
O5 Gd1 O20 73.46(17) . . ? 
O10 Gd1 O7 74.11(15) . . ? 
O5 Gd1 O7 90.29(15) . . ? 
O20 Gd1 O7 133.66(15) . . ? 
O10 Gd1 O14 82.18(18) . . ? 
O5 Gd1 O14 128.94(16) . . ? 
O20 Gd1 O14 143.04(19) . . ? 
O7 Gd1 O14 80.34(16) . . ? 
O10 Gd1 O18 128.30(18) . . ? 
O5 Gd1 O18 82.24(16) . . ? 
O20 Gd1 O18 74.91(18) . . ? 
O7 Gd1 O18 146.82(17) . . ? 
O14 Gd1 O18 79.53(19) . . ? 
O10 Gd1 O15 128.18(16) . . ? 
O5 Gd1 O15 77.63(15) . . ? 
O20 Gd1 O15 137.17(18) . . ? 
O7 Gd1 O15 76.41(15) . . ? 
O14 Gd1 O15 51.33(16) . . ? 
O18 Gd1 O15 70.41(18) . . ? 
O10 Gd1 O17 77.50(17) . . ? 
O5 Gd1 O17 125.95(16) . . ? 
O20 Gd1 O17 69.73(16) . . ? 
O7 Gd1 O17 143.51(15) . . ? 
O14 Gd1 O17 73.47(17) . . ? 
O18 Gd1 O17 50.99(18) . . ? 
O15 Gd1 O17 104.83(16) . . ? 
O10 Gd1 O8 78.71(15) . . ? 
O5 Gd1 O8 64.32(14) . . ? 
O20 Gd1 O8 71.52(15) . . ? 
O7 Gd1 O8 62.39(12) . . ? 
O14 Gd1 O8 141.48(16) . . ? 
O18 Gd1 O8 137.82(15) . . ? 
O15 Gd1 O8 121.91(15) . . ? 
O17 Gd1 O8 132.78(15) . . ? 
O6 Co2 O9 176.74(19) . . ? 
O6 Co2 O8 83.04(17) . . ? 
O9 Co2 O8 96.16(19) . . ? 
O6 Co2 O7 91.89(19) . . ? 
O9 Co2 O7 84.89(19) . . ? 
O8 Co2 O7 85.65(17) . . ? 
O6 Co2 O2 92.78(18) . . ? 
O9 Co2 O2 90.40(18) . . ? 
O8 Co2 O2 91.86(17) . . ? 
O7 Co2 O2 174.40(18) . . ? 
O6 Co2 N2 86.4(2) . . ? 
O9 Co2 N2 94.0(2) . . ? 
O8 Co2 N2 167.8(2) . . ? 
O7 Co2 N2 88.6(2) . . ? 
O2 Co2 N2 94.8(2) . . ? 
O5 Co3 O4 92.31(19) . . ? 
O5 Co3 O1 178.55(18) . . ? 
O4 Co3 O1 88.88(18) . . ? 
O5 Co3 O6 87.79(19) . . ? 
O4 Co3 O6 170.03(19) . . ? 
O1 Co3 O6 90.89(18) . . ? 
O5 Co3 O8 85.24(18) . . ? 
O4 Co3 O8 88.75(18) . . ? 
O1 Co3 O8 93.94(18) . . ? 
O6 Co3 O8 81.32(17) . . ? 
O5 Co3 N1 86.4(2) . . ? 
O4 Co3 N1 88.6(2) . . ? 
O1 Co3 N1 94.5(2) . . ? 
O6 Co3 N1 101.4(2) . . ? 
O8 Co3 N1 171.1(2) . . ? 
O9 Co1 O10 112.52(19) . . ? 
O9 Co1 O12 138.6(3) . . ? 
O10 Co1 O12 107.4(3) . . ? 
O9 Co1 N3 84.9(2) . . ? 
O10 Co1 N3 84.5(2) . . ? 
O12 Co1 N3 110.0(3) . . ? 
O9 Co1 O7 75.33(16) . . ? 
O10 Co1 O7 85.17(17) . . ? 
O12 Co1 O7 97.7(3) . . ? 
N3 Co1 O7 152.14(19) . . ? 
O9 Co1 O11 86.3(2) . . ? 
O10 Co1 O11 160.1(2) . . ? 
O12 Co1 O11 56.1(3) . . ? 
N3 Co1 O11 91.1(3) . . ? 
O7 Co1 O11 106.8(3) . . ? 
C25 O7 Co2 109.6(4) . . ? 
C25 O7 Co1 116.7(4) . . ? 
Co2 O7 Co1 94.09(17) . . ? 
C25 O7 Gd1 130.6(4) . . ? 
Co2 O7 Gd1 106.47(16) . . ? 
Co1 O7 Gd1 92.71(15) . . ? 
Co2 O8 Co3 94.96(18) . . ? 
Co2 O8 Gd1 104.49(16) . . ? 
Co3 O8 Gd1 100.08(16) . . ? 
Co2 O8 H9 117.9 . . ? 
Co3 O8 H9 117.9 . . ? 
Gd1 O8 H9 117.9 . . ? 
C9 O5 Co3 110.6(4) . . ? 
C9 O5 Gd1 134.1(4) . . ? 
Co3 O5 Gd1 110.35(19) . . ? 
C27 O6 Co2 107.7(4) . . ? 
C27 O6 Co3 129.1(4) . . ? 
Co2 O6 Co3 95.35(18) . . ? 
O12 N4 O13 124.2(12) . . ? 
O12 N4 O11 118.6(8) . . ? 
O13 N4 O11 117.1(12) . . ? 
C41 O20 Gd1 134.3(5) . . ? 
C41 O20 H36 109(8) . . ? 
Gd1 O20 H36 110(8) . . ? 
N6 O14 Gd1 96.8(4) . . ? 
N5 O17 Gd1 95.8(4) . . ? 
C11 O4 Co3 108.1(5) . . ? 
N5 O18 Gd1 96.2(4) . . ? 
C1 O1 Co3 124.8(4) . . ? 
C5 O3 H3A 109.5 . . ? 
N6 O15 Gd1 95.8(4) . . ? 
C1 O2 Co2 126.1(4) . . ? 
C19 O10 Co1 109.7(4) . . ? 
C19 O10 Gd1 142.2(4) . . ? 
Co1 O10 Gd1 107.9(2) . . ? 
C17 O9 Co2 124.3(4) . . ? 
C17 O9 Co1 112.3(4) . . ? 
Co2 O9 Co1 103.4(2) . . ? 
C18 N3 C16 113.4(6) . . ? 
C18 N3 C20 111.3(6) . . ? 
C16 N3 C20 113.1(6) . . ? 
C18 N3 Co1 103.0(4) . . ? 
C16 N3 Co1 102.3(5) . . ? 
C20 N3 Co1 112.9(5) . . ? 
O19 N5 O17 122.3(8) . . ? 
O19 N5 O18 120.9(7) . . ? 
O17 N5 O18 116.8(6) . . ? 
C10 N1 C12 111.3(9) . . ? 
C10 N1 C8 108.4(9) . . ? 
C12 N1 C8 107.6(9) . . ? 
C10 N1 Co3 106.0(6) . . ? 
C12 N1 Co3 118.8(5) . . ? 
C8 N1 Co3 104.1(6) . . ? 
N4 O12 Co1 102.1(7) . . ? 
C7 C2 C3 117.4(6) . . ? 
C7 C2 C1 122.4(6) . . ? 
C3 C2 C1 120.1(6) . . ? 
C5 C6 C7 119.7(6) . . ? 
C5 C6 H6 120.1 . . ? 
C7 C6 H6 120.1 . . ? 
C28 N2 C26 112.5(6) . . ? 
C28 N2 C24 109.7(5) . . ? 
C26 N2 C24 110.1(5) . . ? 
C28 N2 Co2 113.2(4) . . ? 
C26 N2 Co2 106.9(4) . . ? 
C24 N2 Co2 104.1(4) . . ? 
O2 C1 O1 125.9(5) . . ? 
O2 C1 C2 118.2(5) . . ? 
O1 C1 C2 115.8(5) . . ? 
O3 C5 C6 118.3(6) . . ? 
O3 C5 C4 121.0(6) . . ? 
C6 C5 C4 120.7(6) . . ? 
N4 O11 Co1 83.1(6) . . ? 
O20 C41 H41A 109.5 . . ? 
O20 C41 H41B 109.5 . . ? 
H41A C41 H41B 109.5 . . ? 
O20 C41 H41C 109.5 . . ? 
H41A C41 H41C 109.5 . . ? 
H41B C41 H41C 109.5 . . ? 
C2 C7 C6 121.5(7) . . ? 
C2 C7 H7 119.3 . . ? 
C6 C7 H7 119.3 . . ? 
N3 C16 C17 112.2(6) . . ? 
N3 C16 H16A 109.2 . . ? 
C17 C16 H16A 109.2 . . ? 
N3 C16 H16B 109.2 . . ? 
C17 C16 H16B 109.2 . . ? 
H16A C16 H16B 107.9 . . ? 
C2 C3 C4 122.5(6) . . ? 
C2 C3 H3 118.7 . . ? 
C4 C3 H3 118.7 . . ? 
C30 C29 C28 115.0(8) . . ? 
C30 C29 H29A 108.5 . . ? 
C28 C29 H29A 108.5 . . ? 
C30 C29 H29B 108.5 . . ? 
C28 C29 H29B 108.5 . . ? 
H29A C29 H29B 107.5 . . ? 
O6 C27 C26 106.6(5) . . ? 
O6 C27 H27A 110.4 . . ? 
C26 C27 H27A 110.4 . . ? 
O6 C27 H27B 110.4 . . ? 
C26 C27 H27B 110.4 . . ? 
H27A C27 H27B 108.6 . . ? 
N2 C24 C25 108.3(5) . . ? 
N2 C24 H24A 110.0 . . ? 
C25 C24 H24A 110.0 . . ? 
N2 C24 H24B 110.0 . . ? 
C25 C24 H24B 110.0 . . ? 
H24A C24 H24B 108.4 . . ? 
C9 C8 N1 119.3(9) . . ? 
C9 C8 H8A 107.5 . . ? 
N1 C8 H8A 107.5 . . ? 
C9 C8 H8B 107.5 . . ? 
N1 C8 H8B 107.5 . . ? 
H8A C8 H8B 107.0 . . ? 
C10 C11 O4 114.9(8) . . ? 
C10 C11 H11A 108.6 . . ? 
O4 C11 H11A 108.6 . . ? 
C10 C11 H11B 108.6 . . ? 
O4 C11 H11B 108.6 . . ? 
H11A C11 H11B 107.5 . . ? 
O16 N6 O15 121.9(7) . . ? 
O16 N6 O14 122.3(7) . . ? 
O15 N6 O14 115.8(5) . . ? 
N3 C18 C19 110.2(7) . . ? 
N3 C18 H18A 109.6 . . ? 
C19 C18 H18A 109.6 . . ? 
N3 C18 H18B 109.6 . . ? 
C19 C18 H18B 109.6 . . ? 
H18A C18 H18B 108.1 . . ? 
C5 C4 C3 118.2(7) . . ? 
C5 C4 H4 120.9 . . ? 
C3 C4 H4 120.9 . . ? 
C20 C21 C22 112.1(9) . . ? 
C20 C21 H21A 109.2 . . ? 
C22 C21 H21A 109.2 . . ? 
C20 C21 H21B 109.2 . . ? 
C22 C21 H21B 109.2 . . ? 
H21A C21 H21B 107.9 . . ? 
N2 C28 C29 114.8(6) . . ? 
N2 C28 H28A 108.6 . . ? 
C29 C28 H28A 108.6 . . ? 
N2 C28 H28B 108.6 . . ? 
C29 C28 H28B 108.6 . . ? 
H28A C28 H28B 107.5 . . ? 
C27 C26 N2 111.2(5) . . ? 
C27 C26 H26A 109.4 . . ? 
N2 C26 H26A 109.4 . . ? 
C27 C26 H26B 109.4 . . ? 
N2 C26 H26B 109.4 . . ? 
H26A C26 H26B 108.0 . . ? 
C8 C9 O5 112.4(7) . . ? 
C8 C9 H9A 109.1 . . ? 
O5 C9 H9A 109.1 . . ? 
C8 C9 H9B 109.1 . . ? 
O5 C9 H9B 109.1 . . ? 
H9A C9 H9B 107.8 . . ? 
O10 C19 C18 110.8(6) . . ? 
O10 C19 H19A 109.5 . . ? 
C18 C19 H19A 109.5 . . ? 
O10 C19 H19B 109.5 . . ? 
C18 C19 H19B 109.5 . . ? 
H19A C19 H19B 108.1 . . ? 
O9 C17 C16 108.2(6) . . ? 
O9 C17 H17A 110.1 . . ? 
C16 C17 H17A 110.1 . . ? 
O9 C17 H17B 110.1 . . ? 
C16 C17 H17B 110.1 . . ? 
H17A C17 H17B 108.4 . . ? 
O7 C25 C24 106.5(5) . . ? 
O7 C25 H25A 110.4 . . ? 
C24 C25 H25A 110.4 . . ? 
O7 C25 H25B 110.4 . . ? 
C24 C25 H25B 110.4 . . ? 
H25A C25 H25B 108.6 . . ? 
C14 C13 C14' 51.8(14) . . ? 
C14 C13 C12 118.1(13) . . ? 
C14' C13 C12 116.8(13) . . ? 
C14 C13 H13A 107.8 . . ? 
C14' C13 H13A 135.4 . . ? 
C12 C13 H13A 107.8 . . ? 
C14 C13 H13B 107.8 . . ? 
C14' C13 H13B 58.8 . . ? 
C12 C13 H13B 107.8 . . ? 
H13A C13 H13B 107.1 . . ? 
C11 C10 N1 118.4(10) . . ? 
C11 C10 H10A 107.7 . . ? 
N1 C10 H10A 107.7 . . ? 
C11 C10 H10B 107.7 . . ? 
N1 C10 H10B 107.7 . . ? 
H10A C10 H10B 107.1 . . ? 
C21 C20 N3 117.1(8) . . ? 
C21 C20 H20A 108.0 . . ? 
N3 C20 H20A 108.0 . . ? 
C21 C20 H20B 108.0 . . ? 
N3 C20 H20B 108.0 . . ? 
H20A C20 H20B 107.3 . . ? 
N1 C12 C13 121.3(8) . . ? 
N1 C12 H12A 107.0 . . ? 
C13 C12 H12A 107.0 . . ? 
N1 C12 H12B 107.0 . . ? 
C13 C12 H12B 107.0 . . ? 
H12A C12 H12B 106.7 . . ? 
C23 C22 C21 115.4(13) . . ? 
C23 C22 H22A 108.4 . . ? 
C21 C22 H22A 108.4 . . ? 
C23 C22 H22B 108.4 . . ? 
C21 C22 H22B 108.4 . . ? 
H22A C22 H22B 107.5 . . ? 
C29 C30 C31 111.0(10) . . ? 
C29 C30 H30A 109.4 . . ? 
C31 C30 H30A 109.4 . . ? 
C29 C30 H30B 109.4 . . ? 
C31 C30 H30B 109.4 . . ? 
H30A C30 H30B 108.0 . . ? 
C30 C31 H31A 109.5 . . ? 
C30 C31 H31B 109.5 . . ? 
H31A C31 H31B 109.5 . . ? 
C30 C31 H31C 109.5 . . ? 
H31A C31 H31C 109.5 . . ? 
H31B C31 H31C 109.5 . . ? 
C13 C14 C15 105.9(18) . . ? 
C13 C14 H14A 110.6 . . ? 
C15 C14 H14A 110.6 . . ? 
C13 C14 H14B 110.6 . . ? 
C15 C14 H14B 110.6 . . ? 
H14A C14 H14B 108.7 . . ? 
C22 C23 H23A 109.5 . . ? 
C22 C23 H23B 109.5 . . ? 
H23A C23 H23B 109.5 . . ? 
C22 C23 H23C 109.5 . . ? 
H23A C23 H23C 109.5 . . ? 
H23B C23 H23C 109.5 . . ? 
C14' C15 C14 45.0(13) . . ? 
C14' C15 H15A 100.5 . . ? 
C14 C15 H15A 109.5 . . ? 
C14' C15 H15B 71.7 . . ? 
C14 C15 H15B 109.5 . . ? 
H15A C15 H15B 109.5 . . ? 
C14' C15 H15C 146.9 . . ? 
C14 C15 H15C 109.5 . . ? 
H15A C15 H15C 109.5 . . ? 
H15B C15 H15C 109.5 . . ? 
C13 C14' C15 102.7(19) . . ? 
C13 C14' H14C 111.2 . . ? 
C15 C14' H14C 111.2 . . ? 
C13 C14' H14D 111.2 . . ? 
C15 C14' H14D 111.2 . . ? 
H14C C14' H14D 109.1 . . ? 
 
_diffrn_measured_fraction_theta_max    0.994 
_diffrn_reflns_theta_full              27.50 
_diffrn_measured_fraction_theta_full   0.994 
_refine_diff_density_max    1.538 
_refine_diff_density_min   -1.101 
_refine_diff_density_rms    0.140 
 
data_c:\x-seed\co2dy2~1\bacl079 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C50 H58 Co2 Dy2 F12 N4 O21' 
_chemical_formula_weight          1721.86 
 
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' 
 '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' 
 'F'  'F'   0.0171   0.0103 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Co'  'Co'   0.3494   0.9721 
 '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' 
 
_symmetry_cell_setting            triclinic 
_symmetry_space_group_name_H-M    p-1 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    8.9740(3) 
_cell_length_b                    11.5586(4) 
_cell_length_c                    15.6439(5) 
_cell_angle_alpha                 81.454(2) 
_cell_angle_beta                  77.599(3) 
_cell_angle_gamma                 72.244(3) 
_cell_volume                      1503.30(9) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     123(2) 
_cell_measurement_reflns_used     7921 
_cell_measurement_theta_min       2.11 
_cell_measurement_theta_max       28.11
 
_exptl_crystal_description        plate 
_exptl_crystal_colour             green
_exptl_crystal_size_max           0.4 
_exptl_crystal_size_mid           0.2 
_exptl_crystal_size_min           0.1 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.901 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              847 
_exptl_absorpt_coefficient_mu     3.114 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.478 
_exptl_absorpt_correction_T_max   0.732
_exptl_absorpt_process_details    SADABS 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       123(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'SuperNova (Mo) X-ray Source' 
_diffrn_radiation_monochromator   'mirror' 
_diffrn_measurement_device_type   'SuperNova, Dual, Cu at zero, Atlas' 
_diffrn_measurement_method        'scans in phi and omega'
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             13883 
_diffrn_reflns_av_R_equivalents   0.0357 
_diffrn_reflns_av_sigmaI/netI     0.0574 
_diffrn_reflns_limit_h_min        -10 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -14 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -20 
_diffrn_reflns_limit_l_max        20 
_diffrn_reflns_theta_min          2.97 
_diffrn_reflns_theta_max          27.50 
_reflns_number_total              6898 
_reflns_number_gt                 6170 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
; 
_computing_cell_refinement        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
; 
_computing_data_reduction         
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
; 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_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.
The structure was solved by direct methods. The asymmetric unit contains
half the cluster, which lies upon an inversion centre. It is found that
methoxide and hydroxide bridging groups occupy the same position (50:50).
When the OH is present a solvent MeOH is found to H-bond to the hydroxide.
All non-H atoms are refined anisotropically and the H-atoms 
are placed in calculated positions, except for the hydroxide H-atom, which
could not be found and was omitted. 
; 
 
_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)+(0.0068P)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          6898 
_refine_ls_number_parameters      429 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0349 
_refine_ls_R_factor_gt            0.0281 
_refine_ls_wR_factor_ref          0.0588 
_refine_ls_wR_factor_gt           0.0541 
_refine_ls_goodness_of_fit_ref    1.060 
_refine_ls_restrained_S_all       1.060 
_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 
Dy1 Dy 0.599243(16) 0.117198(12) 0.028962(8) 0.01289(5) Uani 1 1 d . . . 
Co1 Co 0.40426(5) 0.14651(4) -0.13025(2) 0.01182(9) Uani 1 1 d . . . 
F1 F 0.9285(3) 0.2663(2) -0.43203(14) 0.0515(7) Uani 1 1 d . B . 
F2 F 0.6971(3) 0.2400(2) -0.39088(14) 0.0426(6) Uani 1 1 d . B . 
F3 F 0.8754(3) 0.15745(19) -0.31181(13) 0.0366(5) Uani 1 1 d . B . 
F4 F 0.2147(3) -0.1824(2) -0.38900(18) 0.0700(9) Uani 1 1 d . B . 
F5 F 0.3132(3) -0.2620(2) -0.27322(16) 0.0506(7) Uani 1 1 d . B . 
F6 F 0.1972(3) -0.0693(2) -0.28793(17) 0.0548(8) Uani 1 1 d . B . 
O1 O 0.5679(2) 0.01477(18) -0.08430(12) 0.0135(4) Uani 1 1 d . . . 
O1S O 0.8726(7) -0.1008(6) -0.1651(5) 0.062(2) Uani 0.50 1 d P A 2 
H1S H 0.8353 -0.0393 -0.1982 0.074 Uiso 0.50 1 calc PR A 2 
O2 O 0.4636(3) -0.12399(19) -0.18272(13) 0.0189(5) Uani 1 1 d . . . 
O3 O 0.4367(2) 0.07099(18) -0.23745(12) 0.0154(5) Uani 1 1 d . . . 
O4 O 0.2504(2) 0.06738(18) -0.07170(12) 0.0143(4) Uani 1 1 d . . . 
O5 O 0.3868(2) 0.22494(18) -0.02942(12) 0.0133(4) Uani 1 1 d . . . 
O6 O 0.5494(2) 0.23254(18) -0.19537(12) 0.0144(4) Uani 1 1 d . . . 
O7 O 0.7209(2) 0.20919(19) -0.10362(13) 0.0172(5) Uani 1 1 d . . . 
O8 O 0.6013(3) 0.3200(2) 0.05558(14) 0.0220(5) Uani 1 1 d . . . 
O9 O 0.8184(3) 0.1744(2) 0.06451(14) 0.0222(5) Uani 1 1 d . . . 
O10 O 0.8134(3) 0.3617(2) 0.07226(18) 0.0377(7) Uani 1 1 d . . . 
N1 N 0.2233(3) 0.2837(2) -0.16062(15) 0.0153(5) Uani 1 1 d . . . 
N2 N 0.7460(3) 0.2885(3) 0.06434(17) 0.0232(6) Uani 1 1 d . B . 
C1 C 0.7198(8) -0.0384(6) -0.1388(4) 0.0252(15) Uani 0.50 1 d P B 1 
H1A H 0.7298 0.0114 -0.1950 0.038 Uiso 0.50 1 calc PR B 1 
H1B H 0.7258 -0.1213 -0.1494 0.038 Uiso 0.50 1 calc PR B 1 
H1C H 0.8062 -0.0413 -0.1088 0.038 Uiso 0.50 1 calc PR B 1 
C1S C 0.9056(9) -0.2045(7) -0.2073(5) 0.0339(19) Uani 0.50 1 d P A 2 
H1S1 H 0.9710 -0.2737 -0.1750 0.051 Uiso 0.50 1 calc PR A 2 
H1S2 H 0.9634 -0.1926 -0.2671 0.051 Uiso 0.50 1 calc PR A 2 
H1S3 H 0.8059 -0.2209 -0.2099 0.051 Uiso 0.50 1 calc PR A 2 
C2 C 0.4684(4) -0.0427(3) -0.24336(19) 0.0175(7) Uani 1 1 d . B . 
C3 C 0.5256(4) -0.0795(3) -0.3366(2) 0.0236(8) Uani 1 1 d . . . 
C4 C 0.6653(5) -0.0567(3) -0.3811(2) 0.0315(9) Uani 1 1 d . B . 
H4 H 0.7166 -0.0142 -0.3548 0.038 Uiso 1 1 calc R . . 
C5 C 0.7321(5) -0.0956(4) -0.4649(2) 0.0466(12) Uani 1 1 d . . . 
H5 H 0.8292 -0.0806 -0.4950 0.056 Uiso 1 1 calc R B . 
C6 C 0.6576(6) -0.1553(4) -0.5034(2) 0.0539(14) Uani 1 1 d . B . 
H6 H 0.7038 -0.1823 -0.5601 0.065 Uiso 1 1 calc R . . 
C7 C 0.5173(6) -0.1764(4) -0.4611(3) 0.0497(14) Uani 1 1 d . . . 
H7 H 0.4655 -0.2162 -0.4894 0.060 Uiso 1 1 calc R B . 
C8 C 0.4485(5) -0.1398(3) -0.3761(2) 0.0329(10) Uani 1 1 d . B . 
C9 C 0.2962(5) -0.1633(4) -0.3319(3) 0.0471(13) Uani 1 1 d . . . 
C10 C 0.1154(4) 0.1080(3) -0.1143(2) 0.0189(7) Uani 1 1 d . B . 
H10A H 0.0249 0.0820 -0.0774 0.023 Uiso 1 1 calc R . . 
H10B H 0.1409 0.0732 -0.1715 0.023 Uiso 1 1 calc R . . 
C11 C 0.0737(4) 0.2447(3) -0.1276(2) 0.0253(8) Uani 1 1 d . B . 
H11A H 0.0183 0.2797 -0.0714 0.030 Uiso 1 1 calc R . . 
H11B H 0.0013 0.2752 -0.1708 0.030 Uiso 1 1 calc R . . 
C12 C 0.2222(4) 0.3842(3) -0.1093(2) 0.0231(8) Uani 1 1 d . B . 
H12A H 0.3034 0.4250 -0.1404 0.028 Uiso 1 1 calc R . . 
H12B H 0.1168 0.4457 -0.1037 0.028 Uiso 1 1 calc R . . 
C13 C 0.2569(4) 0.3317(3) -0.0204(2) 0.0248(8) Uani 1 1 d . B . 
H13A H 0.2833 0.3918 0.0083 0.030 Uiso 1 1 calc R . . 
H13B H 0.1623 0.3115 0.0166 0.030 Uiso 1 1 calc R . . 
C14 C 0.2423(4) 0.3240(3) -0.25647(19) 0.0211(7) Uani 1 1 d . B . 
H14A H 0.2210 0.2631 -0.2870 0.025 Uiso 1 1 calc R . . 
H14B H 0.3546 0.3232 -0.2782 0.025 Uiso 1 1 calc R . . 
C15 C 0.1377(4) 0.4484(3) -0.2825(2) 0.0257(8) Uani 1 1 d . . . 
H15A H 0.1571 0.5102 -0.2521 0.031 Uiso 1 1 calc R B . 
H15B H 0.0247 0.4496 -0.2630 0.031 Uiso 1 1 calc R . . 
C16 C 0.1682(4) 0.4819(3) -0.3810(2) 0.0309(8) Uani 1 1 d . B . 
H16A H 0.1508 0.4190 -0.4112 0.037 Uiso 1 1 calc R . . 
H16B H 0.0903 0.5605 -0.3949 0.037 Uiso 1 1 calc R . . 
C17 C 0.3348(4) 0.4932(4) -0.4165(2) 0.0360(9) Uani 1 1 d . . . 
H17A H 0.3595 0.5452 -0.3806 0.054 Uiso 1 1 calc R B . 
H17B H 0.3410 0.5295 -0.4774 0.054 Uiso 1 1 calc R . . 
H17C H 0.4115 0.4121 -0.4144 0.054 Uiso 1 1 calc R . . 
C18 C 0.6597(3) 0.2587(3) -0.16938(18) 0.0141(6) Uani 1 1 d . B . 
C19 C 0.7028(3) 0.3666(3) -0.22224(19) 0.0156(6) Uani 1 1 d . . . 
C20 C 0.6597(4) 0.4730(3) -0.1798(2) 0.0210(7) Uani 1 1 d . B . 
H20 H 0.6212 0.4705 -0.1183 0.025 Uiso 1 1 calc R . . 
C21 C 0.6726(4) 0.5821(3) -0.2265(2) 0.0266(8) Uani 1 1 d . . . 
H21 H 0.6391 0.6547 -0.1973 0.032 Uiso 1 1 calc R B . 
C22 C 0.7342(4) 0.5857(3) -0.3155(2) 0.0271(8) Uani 1 1 d . B . 
H22 H 0.7444 0.6603 -0.3473 0.033 Uiso 1 1 calc R . . 
C23 C 0.7807(4) 0.4802(3) -0.3579(2) 0.0241(8) Uani 1 1 d . . . 
H23 H 0.8238 0.4826 -0.4190 0.029 Uiso 1 1 calc R B . 
C24 C 0.7650(4) 0.3715(3) -0.31229(19) 0.0174(7) Uani 1 1 d . B . 
C25 C 0.8160(4) 0.2587(3) -0.3609(2) 0.0273(8) Uani 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 O5 2.2319(19) . ? 
Dy1 O4 2.242(2) 2_655 ? 
Dy1 O2 2.3572(19) 2_655 ? 
Dy1 O1 2.3792(17) . ? 
Dy1 O7 2.388(2) . ? 
Dy1 O1 2.402(2) 2_655 ? 
Dy1 O8 2.447(2) . ? 
Dy1 O9 2.447(2) . ? 
Dy1 N2 2.862(3) . ? 
Dy1 Co1 3.2255(4) 2_655 ? 
Dy1 Co1 3.2619(4) . ? 
Dy1 Dy1 3.9624(3) 2_655 ? 
Co1 O4 1.887(2) . ? 
Co1 O5 1.8886(16) . ? 
Co1 O6 1.908(2) . ? 
Co1 O3 1.9312(17) . ? 
Co1 O1 1.9382(19) . ? 
Co1 N1 1.978(2) . ? 
Co1 Dy1 3.2256(5) 2_655 ? 
F1 C25 1.344(4) . ? 
F2 C25 1.338(4) . ? 
F3 C25 1.332(4) . ? 
F4 C9 1.348(4) . ? 
F5 C9 1.346(5) . ? 
F6 C9 1.347(4) . ? 
O1 C1 1.452(7) . ? 
O1 Dy1 2.403(2) 2_655 ? 
O1S C1S 1.377(8) . ? 
O2 C2 1.236(4) . ? 
O2 Dy1 2.3571(19) 2_655 ? 
O3 C2 1.270(3) . ? 
O4 C10 1.427(3) . ? 
O4 Dy1 2.242(2) 2_655 ? 
O5 C13 1.416(3) . ? 
O6 C18 1.276(3) . ? 
O7 C18 1.251(3) . ? 
O8 N2 1.269(3) . ? 
O9 N2 1.281(3) . ? 
O10 N2 1.213(3) . ? 
N1 C14 1.492(4) . ? 
N1 C12 1.504(3) . ? 
N1 C11 1.508(4) . ? 
C2 C3 1.517(4) . ? 
C3 C4 1.378(5) . ? 
C3 C8 1.397(5) . ? 
C4 C5 1.397(4) . ? 
C5 C6 1.365(6) . ? 
C6 C7 1.365(7) . ? 
C7 C8 1.409(5) . ? 
C8 C9 1.478(6) . ? 
C10 C11 1.501(4) . ? 
C12 C13 1.489(4) . ? 
C14 C15 1.511(4) . ? 
C15 C16 1.519(5) . ? 
C16 C17 1.516(5) . ? 
C18 C19 1.496(4) . ? 
C19 C20 1.395(4) . ? 
C19 C24 1.399(4) . ? 
C20 C21 1.384(5) . ? 
C21 C22 1.383(5) . ? 
C22 C23 1.383(4) . ? 
C23 C24 1.381(5) . ? 
C24 C25 1.506(4) . ? 
 
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 
O5 Dy1 O4 147.33(7) . 2_655 ? 
O5 Dy1 O2 109.11(7) . 2_655 ? 
O4 Dy1 O2 79.76(7) 2_655 2_655 ? 
O5 Dy1 O1 69.33(6) . . ? 
O4 Dy1 O1 84.11(6) 2_655 . ? 
O2 Dy1 O1 141.25(7) 2_655 . ? 
O5 Dy1 O7 78.74(7) . . ? 
O4 Dy1 O7 113.50(7) 2_655 . ? 
O2 Dy1 O7 143.19(7) 2_655 . ? 
O1 Dy1 O7 75.54(7) . . ? 
O5 Dy1 O1 81.49(7) . 2_655 ? 
O4 Dy1 O1 70.86(7) 2_655 2_655 ? 
O2 Dy1 O1 73.37(7) 2_655 2_655 ? 
O1 Dy1 O1 68.08(8) . 2_655 ? 
O7 Dy1 O1 142.81(6) . 2_655 ? 
O5 Dy1 O8 82.29(7) . . ? 
O4 Dy1 O8 129.92(7) 2_655 . ? 
O2 Dy1 O8 74.16(7) 2_655 . ? 
O1 Dy1 O8 139.82(7) . . ? 
O7 Dy1 O8 71.36(7) . . ? 
O1 Dy1 O8 136.25(7) 2_655 . ? 
O5 Dy1 O9 132.26(7) . . ? 
O4 Dy1 O9 80.12(7) 2_655 . ? 
O2 Dy1 O9 75.91(7) 2_655 . ? 
O1 Dy1 O9 135.35(7) . . ? 
O7 Dy1 O9 73.16(7) . . ? 
O1 Dy1 O9 140.71(7) 2_655 . ? 
O8 Dy1 O9 52.57(7) . . ? 
O5 Dy1 N2 106.86(8) . . ? 
O4 Dy1 N2 105.81(8) 2_655 . ? 
O2 Dy1 N2 74.86(8) 2_655 . ? 
O1 Dy1 N2 143.78(7) . . ? 
O7 Dy1 N2 68.53(7) . . ? 
O1 Dy1 N2 148.13(7) 2_655 . ? 
O8 Dy1 N2 26.20(7) . . ? 
O9 Dy1 N2 26.47(7) . . ? 
O5 Dy1 Co1 117.81(5) . 2_655 ? 
O4 Dy1 Co1 34.85(5) 2_655 2_655 ? 
O2 Dy1 Co1 68.11(5) 2_655 2_655 ? 
O1 Dy1 Co1 78.56(5) . 2_655 ? 
O7 Dy1 Co1 141.29(5) . 2_655 ? 
O1 Dy1 Co1 36.74(5) 2_655 2_655 ? 
O8 Dy1 Co1 141.28(5) . 2_655 ? 
O9 Dy1 Co1 108.17(5) . 2_655 ? 
N2 Dy1 Co1 128.79(6) . 2_655 ? 
O5 Dy1 Co1 34.12(4) . . ? 
O4 Dy1 Co1 119.68(4) 2_655 . ? 
O2 Dy1 Co1 136.61(5) 2_655 . ? 
O1 Dy1 Co1 36.08(5) . . ? 
O7 Dy1 Co1 68.47(5) . . ? 
O1 Dy1 Co1 77.50(4) 2_655 . ? 
O8 Dy1 Co1 108.53(5) . . ? 
O9 Dy1 Co1 141.31(5) . . ? 
N2 Dy1 Co1 126.47(6) . . ? 
Co1 Dy1 Co1 104.711(9) 2_655 . ? 
O5 Dy1 Dy1 72.44(5) . 2_655 ? 
O4 Dy1 Dy1 74.90(5) 2_655 2_655 ? 
O2 Dy1 Dy1 107.14(5) 2_655 2_655 ? 
O1 Dy1 Dy1 34.23(5) . 2_655 ? 
O7 Dy1 Dy1 109.46(4) . 2_655 ? 
O1 Dy1 Dy1 33.85(4) 2_655 2_655 ? 
O8 Dy1 Dy1 153.74(5) . 2_655 ? 
O9 Dy1 Dy1 153.69(5) . 2_655 ? 
N2 Dy1 Dy1 177.99(5) . 2_655 ? 
Co1 Dy1 Dy1 52.771(7) 2_655 2_655 ? 
Co1 Dy1 Dy1 51.940(8) . 2_655 ? 
O4 Co1 O5 91.54(8) . . ? 
O4 Co1 O6 175.75(8) . . ? 
O5 Co1 O6 90.40(8) . . ? 
O4 Co1 O3 92.98(8) . . ? 
O5 Co1 O3 175.42(9) . . ? 
O6 Co1 O3 85.14(8) . . ? 
O4 Co1 O1 89.60(9) . . ? 
O5 Co1 O1 86.63(8) . . ? 
O6 Co1 O1 94.29(9) . . ? 
O3 Co1 O1 92.65(8) . . ? 
O4 Co1 N1 86.25(10) . . ? 
O5 Co1 N1 87.07(8) . . ? 
O6 Co1 N1 90.08(10) . . ? 
O3 Co1 N1 93.98(9) . . ? 
O1 Co1 N1 172.36(9) . . ? 
O4 Co1 Dy1 42.76(6) . 2_655 ? 
O5 Co1 Dy1 96.48(7) . 2_655 ? 
O6 Co1 Dy1 140.66(6) . 2_655 ? 
O3 Co1 Dy1 86.35(7) . 2_655 ? 
O1 Co1 Dy1 47.86(6) . 2_655 ? 
N1 Co1 Dy1 128.83(8) . 2_655 ? 
O4 Co1 Dy1 98.88(6) . . ? 
O5 Co1 Dy1 41.52(6) . . ? 
O6 Co1 Dy1 85.08(6) . . ? 
O3 Co1 Dy1 136.66(6) . . ? 
O1 Co1 Dy1 46.30(5) . . ? 
N1 Co1 Dy1 128.13(6) . . ? 
Dy1 Co1 Dy1 75.290(9) 2_655 . ? 
C1 O1 Co1 121.9(3) . . ? 
C1 O1 Dy1 111.4(3) . . ? 
Co1 O1 Dy1 97.62(7) . . ? 
C1 O1 Dy1 116.5(3) . 2_655 ? 
Co1 O1 Dy1 95.40(8) . 2_655 ? 
Dy1 O1 Dy1 111.92(8) . 2_655 ? 
C2 O2 Dy1 131.52(18) . 2_655 ? 
C2 O3 Co1 125.48(19) . . ? 
C10 O4 Co1 109.21(18) . . ? 
C10 O4 Dy1 133.68(16) . 2_655 ? 
Co1 O4 Dy1 102.39(8) . 2_655 ? 
C13 O5 Co1 113.12(16) . . ? 
C13 O5 Dy1 142.30(15) . . ? 
Co1 O5 Dy1 104.36(8) . . ? 
C18 O6 Co1 128.3(2) . . ? 
C18 O7 Dy1 127.5(2) . . ? 
N2 O8 Dy1 95.50(16) . . ? 
N2 O9 Dy1 95.17(16) . . ? 
C14 N1 C12 110.3(3) . . ? 
C14 N1 C11 111.9(2) . . ? 
C12 N1 C11 109.8(2) . . ? 
C14 N1 Co1 112.85(18) . . ? 
C12 N1 Co1 104.10(17) . . ? 
C11 N1 Co1 107.7(2) . . ? 
O10 N2 O8 122.5(3) . . ? 
O10 N2 O9 121.2(3) . . ? 
O8 N2 O9 116.4(2) . . ? 
O10 N2 Dy1 174.8(2) . . ? 
O8 N2 Dy1 58.30(14) . . ? 
O9 N2 Dy1 58.36(13) . . ? 
O2 C2 O3 127.6(3) . . ? 
O2 C2 C3 118.2(3) . . ? 
O3 C2 C3 114.2(3) . . ? 
C4 C3 C8 119.8(3) . . ? 
C4 C3 C2 116.9(3) . . ? 
C8 C3 C2 123.3(3) . . ? 
C3 C4 C5 120.5(4) . . ? 
C6 C5 C4 119.9(4) . . ? 
C5 C6 C7 120.6(3) . . ? 
C6 C7 C8 120.7(4) . . ? 
C3 C8 C7 118.5(4) . . ? 
C3 C8 C9 121.8(3) . . ? 
C7 C8 C9 119.6(4) . . ? 
F5 C9 F6 106.2(4) . . ? 
F5 C9 F4 105.6(4) . . ? 
F6 C9 F4 105.7(3) . . ? 
F5 C9 C8 113.7(3) . . ? 
F6 C9 C8 112.6(4) . . ? 
F4 C9 C8 112.5(4) . . ? 
O4 C10 C11 107.2(2) . . ? 
C10 C11 N1 109.6(3) . . ? 
C13 C12 N1 109.3(3) . . ? 
O5 C13 C12 108.8(2) . . ? 
N1 C14 C15 116.4(2) . . ? 
C14 C15 C16 112.3(3) . . ? 
C17 C16 C15 113.4(3) . . ? 
O7 C18 O6 126.3(3) . . ? 
O7 C18 C19 120.9(3) . . ? 
O6 C18 C19 112.6(3) . . ? 
C20 C19 C24 118.6(3) . . ? 
C20 C19 C18 116.4(3) . . ? 
C24 C19 C18 124.5(3) . . ? 
C21 C20 C19 120.7(3) . . ? 
C22 C21 C20 120.1(3) . . ? 
C21 C22 C23 119.8(3) . . ? 
C24 C23 C22 120.6(3) . . ? 
C23 C24 C19 120.3(3) . . ? 
C23 C24 C25 119.0(3) . . ? 
C19 C24 C25 120.7(3) . . ? 
F3 C25 F2 106.4(3) . . ? 
F3 C25 F1 106.9(3) . . ? 
F2 C25 F1 105.7(3) . . ? 
F3 C25 C24 112.9(3) . . ? 
F2 C25 C24 113.0(3) . . ? 
F1 C25 C24 111.3(3) . . ? 
 
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              27.50 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    1.117 
_refine_diff_density_min   -0.730 
_refine_diff_density_rms    0.117 
 
data_c:\x-seed\co2dy2~1\p-1 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C38 H53 Co2 Dy2 F21 N4 O18' 
_chemical_formula_weight          1695.70 
 
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' 
 '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' 
 'F'  'F'   0.0171   0.0103 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Co'  'Co'   0.3494   0.9721 
 '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' 
 
_symmetry_cell_setting            triclinc 
_symmetry_space_group_name_H-M    p-1 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    10.9187(5) 
_cell_length_b                    16.0291(6) 
_cell_length_c                    16.6326(7) 
_cell_angle_alpha                 78.848(2) 
_cell_angle_beta                  79.658(2) 
_cell_angle_gamma                 79.944(2) 
_cell_volume                      2780.0(2) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     123(2) 
_cell_measurement_reflns_used     8932 
_cell_measurement_theta_min       2.13 
_cell_measurement_theta_max       27.89 
 
_exptl_crystal_description        plate 
_exptl_crystal_colour             green 
_exptl_crystal_size_max           0.3 
_exptl_crystal_size_mid           0.2 
_exptl_crystal_size_min           0.1 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     2.026 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1656 
_exptl_absorpt_coefficient_mu     3.384 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.448
_exptl_absorpt_correction_T_max   0.713
_exptl_absorpt_process_details    SADABS
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       123(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'APEX X8'  
_diffrn_measurement_method        'scans in phi and omega'   
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             43943 
_diffrn_reflns_av_R_equivalents   0.0230 
_diffrn_reflns_av_sigmaI/netI     0.0255 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        14 
_diffrn_reflns_limit_k_min        -20 
_diffrn_reflns_limit_k_max        20 
_diffrn_reflns_limit_l_min        -21 
_diffrn_reflns_limit_l_max        21 
_diffrn_reflns_theta_min          2.64 
_diffrn_reflns_theta_max          27.50 
_reflns_number_total              12670 
_reflns_number_gt                 11297 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Bruker Apex2 V2.0'    
_computing_cell_refinement        'Bruker Apex2 V2.0'    
_computing_data_reduction         'Bruker Apex2 V2.0'    
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'X-Seed' 
_computing_publication_material   'CIFTAB'
 
_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. 
The structure was solved by direct methods. The asymmetric unit contains
the entire cluster with a solvent methanol molecule.It was found that some of
the fluorine atoms are disordered over two positions. Thermal (DELU, SIMU and ISOR)
restraints are placed on these atoms. 
All non-H atoms are refined anisotropically and the H-atoms 
are placed in calculated positions, except for the OH of the methanol and H-atoms
of the water which were found.
; 
 
_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)+(0.0171P)²+2.8318P] 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          12670 
_refine_ls_number_parameters      834 
_refine_ls_number_restraints      72 
_refine_ls_R_factor_all           0.0252 
_refine_ls_R_factor_gt            0.0205 
_refine_ls_wR_factor_ref          0.0463 
_refine_ls_wR_factor_gt           0.0443 
_refine_ls_goodness_of_fit_ref    1.036 
_refine_ls_restrained_S_all       1.064 
_refine_ls_shift/su_max           0.004 
_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 0.755930(10) 0.853455(6) 0.267512(7) 0.01187(3) Uani 1 1 d . . . 
Dy2 Dy 0.869161(10) 0.612823(6) 0.275808(6) 0.01122(3) Uani 1 1 d . . . 
Co1 Co 0.68222(3) 0.73108(2) 0.167139(19) 0.01292(7) Uani 1 1 d . . . 
Co2 Co 0.89673(3) 0.717572(19) 0.430441(19) 0.01227(7) Uani 1 1 d . . . 
F1 F 0.2985(19) 1.0321(14) 0.4128(16) 0.043(4) Uani 0.30(3) 1 d PU A 3 
F1' F 0.3078(8) 1.0144(6) 0.4394(5) 0.0364(14) Uani 0.70(3) 1 d P A 4 
F2 F 0.3202(18) 0.9015(10) 0.3982(10) 0.042(4) Uani 0.30(3) 1 d PU A 3 
F2' F 0.3109(8) 0.9166(8) 0.3701(12) 0.108(4) Uani 0.70(3) 1 d P A 4 
F3 F 0.3089(12) 0.9960(17) 0.3035(8) 0.056(4) Uani 0.30(3) 1 d PU A 3 
F3' F 0.3108(5) 1.0457(12) 0.3082(5) 0.093(4) Uani 0.70(3) 1 d P A 4 
F4 F 0.7569(3) 1.16582(13) 0.30156(14) 0.0670(7) Uani 1 1 d . A . 
F5 F 0.84250(18) 1.09069(12) 0.40285(15) 0.0526(6) Uani 1 1 d . A . 
F6 F 0.65676(19) 1.15696(12) 0.42397(14) 0.0532(6) Uani 1 1 d . A . 
F7 F 0.5680(3) 1.15610(16) 0.15563(17) 0.0930(10) Uani 1 1 d . . . 
F8 F 0.6137(3) 1.1118(2) 0.04411(17) 0.1014(11) Uani 1 1 d . . . 
F9 F 0.7196(3) 1.19498(18) 0.0685(3) 0.1470(17) Uani 1 1 d U . . 
F10 F 1.15760(19) 0.91255(17) 0.09304(15) 0.0670(7) Uani 1 1 d . . . 
F11 F 1.15461(19) 0.97756(16) 0.19154(14) 0.0646(7) Uani 1 1 d . . . 
F12 F 1.1314(2) 1.04971(16) 0.07244(16) 0.0779(8) Uani 1 1 d . . . 
F13 F 0.49257(15) 0.47375(11) 0.38292(12) 0.0395(4) Uani 1 1 d . . . 
F14 F 0.60082(18) 0.38756(16) 0.46525(12) 0.0600(6) Uani 1 1 d . . . 
F15 F 0.55626(17) 0.34540(11) 0.36163(13) 0.0476(5) Uani 1 1 d . . . 
F16 F 0.9275(7) 0.3391(5) 0.1239(4) 0.096(3) Uani 0.659(8) 1 d PU B 1 
F16' F 0.9054(10) 0.2960(7) 0.1583(8) 0.073(4) Uani 0.341(8) 1 d PU B 2 
F17 F 0.9825(5) 0.2613(2) 0.2313(3) 0.0598(19) Uani 0.659(8) 1 d PU B 1 
F17' F 1.055(2) 0.2944(14) 0.2141(10) 0.171(10) Uani 0.341(8) 1 d PU B 2 
F18 F 1.0939(4) 0.3506(3) 0.1679(4) 0.0525(19) Uani 0.659(8) 1 d PU B 1 
F18' F 1.0193(15) 0.3823(5) 0.1092(7) 0.087(5) Uani 0.341(8) 1 d PU B 2 
F19 F 1.12560(18) 0.54296(13) 0.03486(11) 0.0440(5) Uani 1 1 d . . . 
F20 F 1.31481(18) 0.52399(16) 0.05688(12) 0.0577(6) Uani 1 1 d . . . 
F21 F 1.2172(2) 0.65122(13) 0.02900(11) 0.0529(5) Uani 1 1 d . . . 
O1 O 0.84416(15) 0.75373(10) 0.17150(10) 0.0138(3) Uani 1 1 d . . . 
O1S O 1.4865(2) 0.46573(17) 0.19396(19) 0.0562(7) Uani 1 1 d . . . 
H1S H 1.4104 0.4820 0.1993 0.067 Uiso 1 1 calc R . . 
O2 O 0.73908(16) 0.61188(10) 0.17908(10) 0.0157(3) Uani 1 1 d . . . 
O3 O 0.67735(15) 0.71910(10) 0.28387(10) 0.0129(3) Uani 1 1 d . . . 
O4 O 0.63800(15) 0.84966(10) 0.16160(10) 0.0161(3) Uani 1 1 d . . . 
O5 O 0.55089(16) 0.90451(10) 0.32537(10) 0.0170(4) Uani 1 1 d . . . 
O6 O 0.76920(16) 0.97706(10) 0.33182(11) 0.0179(4) Uani 1 1 d . . . 
O7 O 0.69112(17) 0.99613(11) 0.18461(11) 0.0208(4) Uani 1 1 d . . . 
O8 O 0.93299(16) 0.91136(11) 0.19421(10) 0.0179(4) Uani 1 1 d . . . 
O9 O 0.93976(15) 0.73548(10) 0.31290(10) 0.0126(3) Uani 1 1 d . . . 
O10 O 1.03026(16) 0.62915(10) 0.45434(10) 0.0164(3) Uani 1 1 d . . . 
O11 O 0.76354(15) 0.80767(10) 0.40780(10) 0.0146(3) Uani 1 1 d . . . 
O12 O 0.80868(15) 0.63329(10) 0.41330(10) 0.0131(3) Uani 1 1 d . . . 
O13 O 0.72779(16) 0.51293(10) 0.34363(10) 0.0175(4) Uani 1 1 d . . . 
O14 O 0.94091(16) 0.47536(10) 0.22814(10) 0.0173(4) Uani 1 1 d . . . 
O15 O 1.03091(17) 0.53628(11) 0.34786(11) 0.0177(4) Uani 1 1 d . . . 
O16 O 1.05170(15) 0.62125(10) 0.17434(10) 0.0176(4) Uani 1 1 d . . . 
O17 O 1.22196(17) 0.53283(12) 0.21307(11) 0.0252(4) Uani 1 1 d . . . 
N1 N 0.7370(2) 0.72803(13) 0.04684(13) 0.0179(4) Uani 1 1 d . . . 
N2 N 0.49719(19) 0.72253(13) 0.19449(13) 0.0181(4) Uani 1 1 d . . . 
N3 N 1.02407(19) 0.79699(12) 0.43115(13) 0.0166(4) Uani 1 1 d . . . 
N4 N 0.80782(19) 0.69974(12) 0.54799(12) 0.0165(4) Uani 1 1 d . . . 
C1 C 0.9030(2) 0.78546(16) 0.09055(15) 0.0185(5) Uani 1 1 d . . . 
H1A H 0.9931 0.7810 0.0893 0.022 Uiso 1 1 calc R . . 
H1B H 0.8696 0.8453 0.0740 0.022 Uiso 1 1 calc R . . 
C1S C 1.5136(4) 0.3888(3) 0.1606(3) 0.0665(12) Uani 1 1 d . . . 
H1S1 H 1.5995 0.3640 0.1641 0.100 Uiso 1 1 calc R . . 
H1S2 H 1.5008 0.4010 0.1036 0.100 Uiso 1 1 calc R . . 
H1S3 H 1.4588 0.3491 0.1914 0.100 Uiso 1 1 calc R . . 
C2 C 0.8756(2) 0.73156(17) 0.03332(15) 0.0206(5) Uani 1 1 d . . . 
H2A H 0.9028 0.7563 -0.0238 0.025 Uiso 1 1 calc R . . 
H2B H 0.9213 0.6740 0.0442 0.025 Uiso 1 1 calc R . . 
C3 C 0.7174(3) 0.64167(16) 0.03425(16) 0.0222(6) Uani 1 1 d . . . 
H3A H 0.7653 0.6285 -0.0179 0.027 Uiso 1 1 calc R . . 
H3B H 0.6291 0.6413 0.0328 0.027 Uiso 1 1 calc R . . 
C4 C 0.7609(3) 0.57515(16) 0.10577(15) 0.0211(5) Uani 1 1 d . . . 
H4A H 0.7156 0.5264 0.1146 0.025 Uiso 1 1 calc R . . 
H4B H 0.8500 0.5548 0.0924 0.025 Uiso 1 1 calc R . . 
C5 C 0.6765(3) 0.79625(17) -0.01274(16) 0.0257(6) Uani 1 1 d . . . 
H5A H 0.7132 0.7885 -0.0682 0.039 Uiso 1 1 calc R . . 
H5B H 0.6889 0.8514 -0.0037 0.039 Uiso 1 1 calc R . . 
H5C H 0.5880 0.7932 -0.0050 0.039 Uiso 1 1 calc R . . 
C6 C 0.5624(2) 0.69521(16) 0.33233(15) 0.0166(5) Uani 1 1 d . . . 
H6A H 0.5130 0.7441 0.3551 0.020 Uiso 1 1 calc R . . 
H6B H 0.5806 0.6494 0.3779 0.020 Uiso 1 1 calc R . . 
C7 C 0.4899(2) 0.66522(16) 0.27666(16) 0.0190(5) Uani 1 1 d . . . 
H7A H 0.5246 0.6067 0.2694 0.023 Uiso 1 1 calc R . . 
H7B H 0.4026 0.6658 0.3021 0.023 Uiso 1 1 calc R . . 
C8 C 0.4326(2) 0.81232(16) 0.20401(17) 0.0218(5) Uani 1 1 d . . . 
H8A H 0.3501 0.8216 0.1870 0.026 Uiso 1 1 calc R . . 
H8B H 0.4216 0.8192 0.2617 0.026 Uiso 1 1 calc R . . 
C9 C 0.5113(2) 0.87731(16) 0.15109(17) 0.0207(5) Uani 1 1 d . . . 
H9A H 0.5025 0.8823 0.0933 0.025 Uiso 1 1 calc R . . 
H9B H 0.4833 0.9332 0.1676 0.025 Uiso 1 1 calc R . . 
C10 C 0.4330(3) 0.68746(18) 0.14036(18) 0.0261(6) Uani 1 1 d . . . 
H10A H 0.4731 0.6302 0.1348 0.039 Uiso 1 1 calc R . . 
H10B H 0.4377 0.7231 0.0867 0.039 Uiso 1 1 calc R . . 
H10C H 0.3464 0.6863 0.1643 0.039 Uiso 1 1 calc R . . 
C11 C 0.3565(3) 0.9830(2) 0.3678(2) 0.0346(7) Uani 1 1 d . . . 
C12 C 0.5001(2) 0.97200(16) 0.35230(16) 0.0194(5) Uani 1 1 d . A . 
C13 C 0.5563(2) 1.03642(16) 0.36871(17) 0.0224(6) Uani 1 1 d . . . 
H13 H 0.5054 1.0831 0.3887 0.027 Uiso 1 1 calc R A . 
C14 C 0.6865(2) 1.03397(15) 0.35636(16) 0.0193(5) Uani 1 1 d . A . 
C15 C 0.7362(3) 1.11239(18) 0.3721(2) 0.0299(7) Uani 1 1 d . . . 
C16 C 0.6625(3) 1.1314(2) 0.1034(2) 0.0468(9) Uani 1 1 d . . . 
C17 C 0.7475(3) 1.05199(17) 0.14067(18) 0.0267(6) Uani 1 1 d . . . 
C18 C 0.8782(3) 1.05095(19) 0.12035(19) 0.0352(7) Uani 1 1 d . . . 
H18 H 0.9101 1.0982 0.0869 0.042 Uiso 1 1 calc R . . 
C19 C 0.9595(3) 0.98028(17) 0.14969(16) 0.0244(6) Uani 1 1 d . . . 
C20 C 1.1010(3) 0.9815(2) 0.1266(2) 0.0413(8) Uani 1 1 d . . . 
C21 C 1.1446(2) 0.65317(16) 0.46158(17) 0.0215(5) Uani 1 1 d . . . 
H21A H 1.2034 0.6483 0.4110 0.026 Uiso 1 1 calc R . . 
H21B H 1.1805 0.6150 0.5069 0.026 Uiso 1 1 calc R . . 
C22 C 1.1239(2) 0.74464(16) 0.47744(17) 0.0214(5) Uani 1 1 d . . . 
H22A H 1.0990 0.7454 0.5363 0.026 Uiso 1 1 calc R . . 
H22B H 1.2016 0.7690 0.4598 0.026 Uiso 1 1 calc R . . 
C23 C 1.0650(2) 0.75461(15) 0.29117(15) 0.0158(5) Uani 1 1 d . . . 
H23A H 1.0825 0.7766 0.2323 0.019 Uiso 1 1 calc R . . 
H23B H 1.1247 0.7033 0.3041 0.019 Uiso 1 1 calc R . . 
C24 C 1.0752(2) 0.82151(16) 0.34115(15) 0.0184(5) Uani 1 1 d . . . 
H24A H 1.1628 0.8288 0.3359 0.022 Uiso 1 1 calc R . . 
H24B H 1.0292 0.8761 0.3191 0.022 Uiso 1 1 calc R . . 
C25 C 0.9812(3) 0.87783(16) 0.46505(17) 0.0230(6) Uani 1 1 d . . . 
H25A H 0.9575 0.8647 0.5240 0.034 Uiso 1 1 calc R . . 
H25B H 0.9102 0.9092 0.4403 0.034 Uiso 1 1 calc R . . 
H25C H 1.0483 0.9121 0.4527 0.034 Uiso 1 1 calc R . . 
C26 C 0.6665(2) 0.81352(16) 0.47603(15) 0.0203(5) Uani 1 1 d . . . 
H26A H 0.6029 0.7794 0.4730 0.024 Uiso 1 1 calc R . . 
H26B H 0.6271 0.8728 0.4749 0.024 Uiso 1 1 calc R . . 
C27 C 0.7214(3) 0.78104(16) 0.55572(15) 0.0212(5) Uani 1 1 d . . . 
H27A H 0.7668 0.8236 0.5664 0.025 Uiso 1 1 calc R . . 
H27B H 0.6542 0.7713 0.6018 0.025 Uiso 1 1 calc R . . 
C28 C 0.7323(2) 0.62819(16) 0.55367(15) 0.0196(5) Uani 1 1 d . . . 
H28A H 0.7308 0.5927 0.6080 0.024 Uiso 1 1 calc R . . 
H28B H 0.6463 0.6521 0.5462 0.024 Uiso 1 1 calc R . . 
C29 C 0.7895(2) 0.57452(15) 0.48824(14) 0.0168(5) Uani 1 1 d . . . 
H29A H 0.8689 0.5412 0.5011 0.020 Uiso 1 1 calc R . . 
H29B H 0.7334 0.5354 0.4841 0.020 Uiso 1 1 calc R . . 
C30 C 0.8838(3) 0.67778(17) 0.61609(16) 0.0234(6) Uani 1 1 d . . . 
H30A H 0.9269 0.7250 0.6164 0.035 Uiso 1 1 calc R . . 
H30B H 0.9443 0.6277 0.6082 0.035 Uiso 1 1 calc R . . 
H30C H 0.8298 0.6663 0.6680 0.035 Uiso 1 1 calc R . . 
C31 C 0.5894(3) 0.41153(17) 0.38576(18) 0.0239(6) Uani 1 1 d . . . 
C32 C 0.7102(2) 0.44085(15) 0.33456(15) 0.0180(5) Uani 1 1 d . . . 
C33 C 0.7870(3) 0.38466(16) 0.28692(17) 0.0254(6) Uani 1 1 d . . . 
H33 H 0.7647 0.3310 0.2880 0.030 Uiso 1 1 calc R . . 
C34 C 0.8970(2) 0.40716(15) 0.23746(16) 0.0189(5) Uani 1 1 d . B . 
C35 C 0.9740(3) 0.34099(18) 0.18607(19) 0.0306(7) Uani 1 1 d . . . 
C36 C 1.1555(2) 0.57491(15) 0.16284(16) 0.0171(5) Uani 1 1 d . . . 
C37 C 1.2045(3) 0.57290(18) 0.07059(17) 0.0260(6) Uani 1 1 d . . . 
H3 H 1.094(3) 0.534(2) 0.319(2) 0.031 Uiso 1 1 d . . . 
H5 H 1.038(3) 0.565(2) 0.384(2) 0.031 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 O11 2.3187(16) . ? 
Dy1 O8 2.3298(16) . ? 
Dy1 O5 2.3450(17) . ? 
Dy1 O4 2.3766(16) . ? 
Dy1 O3 2.4047(15) . ? 
Dy1 O1 2.4354(16) . ? 
Dy1 O6 2.4629(16) . ? 
Dy1 O7 2.4894(17) . ? 
Dy1 O9 2.6156(16) . ? 
Dy2 O2 2.3331(16) . ? 
Dy2 O12 2.3337(15) . ? 
Dy2 O15 2.3442(18) . ? 
Dy2 O16 2.3742(16) . ? 
Dy2 O13 2.3996(16) . ? 
Dy2 O14 2.4387(16) . ? 
Dy2 O9 2.4514(15) . ? 
Dy2 O3 2.4592(16) . ? 
Dy2 O1 2.5738(16) . ? 
Co1 O4 1.8661(16) . ? 
Co1 O1 1.8826(16) . ? 
Co1 O2 1.8864(16) . ? 
Co1 O3 1.9057(16) . ? 
Co1 N1 1.990(2) . ? 
Co1 N2 2.012(2) . ? 
Co2 O12 1.8793(16) . ? 
Co2 O10 1.8871(17) . ? 
Co2 O11 1.8961(16) . ? 
Co2 O9 1.9041(16) . ? 
Co2 N4 2.011(2) . ? 
Co2 N3 2.046(2) . ? 
F1 C11 1.209(17) . ? 
F1' C11 1.364(8) . ? 
F2 C11 1.404(14) . ? 
F2' C11 1.243(9) . ? 
F3 C11 1.239(12) . ? 
F3' C11 1.364(8) . ? 
F4 C15 1.321(4) . ? 
F5 C15 1.316(3) . ? 
F6 C15 1.326(3) . ? 
F7 C16 1.282(4) . ? 
F8 C16 1.313(5) . ? 
F9 C16 1.275(4) . ? 
F10 C20 1.339(4) . ? 
F11 C20 1.304(4) . ? 
F12 C20 1.325(3) . ? 
F13 C31 1.322(3) . ? 
F14 C31 1.326(3) . ? 
F15 C31 1.329(3) . ? 
F16 C35 1.239(5) . ? 
F16' C35 1.318(9) . ? 
F17 C35 1.349(5) . ? 
F17' C35 1.155(9) . ? 
F18 C35 1.318(5) . ? 
F18' C35 1.370(8) . ? 
F19 C37 1.328(3) . ? 
F20 C37 1.326(3) . ? 
F21 C37 1.328(3) . ? 
O1 C1 1.422(3) . ? 
O1S C1S 1.413(4) . ? 
O1S H1S 0.8200 . ? 
O2 C4 1.419(3) . ? 
O3 C6 1.434(3) . ? 
O4 C9 1.408(3) . ? 
O5 C12 1.252(3) . ? 
O6 C14 1.240(3) . ? 
O7 C17 1.222(3) . ? 
O8 C19 1.253(3) . ? 
O9 C23 1.422(3) . ? 
O10 C21 1.400(3) . ? 
O11 C26 1.412(3) . ? 
O12 C29 1.416(3) . ? 
O13 C32 1.245(3) . ? 
O14 C34 1.241(3) . ? 
O15 H3 0.76(3) . ? 
O15 H5 0.85(3) . ? 
O16 C36 1.247(3) . ? 
O17 C36 1.228(3) . ? 
N1 C5 1.476(3) . ? 
N1 C3 1.496(3) . ? 
N1 C2 1.500(3) . ? 
N2 C10 1.476(3) . ? 
N2 C7 1.490(3) . ? 
N2 C8 1.513(3) . ? 
N3 C25 1.480(3) . ? 
N3 C22 1.489(3) . ? 
N3 C24 1.502(3) . ? 
N4 C30 1.476(3) . ? 
N4 C27 1.482(3) . ? 
N4 C28 1.505(3) . ? 
C1 C2 1.501(3) . ? 
C1 H1A 0.9700 . ? 
C1 H1B 0.9700 . ? 
C1S H1S1 0.9600 . ? 
C1S H1S2 0.9600 . ? 
C1S H1S3 0.9600 . ? 
C2 H2A 0.9700 . ? 
C2 H2B 0.9700 . ? 
C3 C4 1.521(4) . ? 
C3 H3A 0.9700 . ? 
C3 H3B 0.9700 . ? 
C4 H4A 0.9700 . ? 
C4 H4B 0.9700 . ? 
C5 H5A 0.9600 . ? 
C5 H5B 0.9600 . ? 
C5 H5C 0.9600 . ? 
C6 C7 1.511(3) . ? 
C6 H6A 0.9700 . ? 
C6 H6B 0.9700 . ? 
C7 H7A 0.9700 . ? 
C7 H7B 0.9700 . ? 
C8 C9 1.512(4) . ? 
C8 H8A 0.9700 . ? 
C8 H8B 0.9700 . ? 
C9 H9A 0.9700 . ? 
C9 H9B 0.9700 . ? 
C10 H10A 0.9600 . ? 
C10 H10B 0.9600 . ? 
C10 H10C 0.9600 . ? 
C11 C12 1.527(4) . ? 
C12 C13 1.381(3) . ? 
C13 C14 1.395(4) . ? 
C13 H13 0.9300 . ? 
C14 C15 1.536(3) . ? 
C16 C17 1.535(4) . ? 
C17 C18 1.404(4) . ? 
C18 C19 1.378(4) . ? 
C18 H18 0.9300 . ? 
C19 C20 1.526(4) . ? 
C21 C22 1.511(3) . ? 
C21 H21A 0.9700 . ? 
C21 H21B 0.9700 . ? 
C22 H22A 0.9700 . ? 
C22 H22B 0.9700 . ? 
C23 C24 1.508(3) . ? 
C23 H23A 0.9700 . ? 
C23 H23B 0.9700 . ? 
C24 H24A 0.9700 . ? 
C24 H24B 0.9700 . ? 
C25 H25A 0.9600 . ? 
C25 H25B 0.9600 . ? 
C25 H25C 0.9600 . ? 
C26 C27 1.515(4) . ? 
C26 H26A 0.9700 . ? 
C26 H26B 0.9700 . ? 
C27 H27A 0.9700 . ? 
C27 H27B 0.9700 . ? 
C28 C29 1.498(3) . ? 
C28 H28A 0.9700 . ? 
C28 H28B 0.9700 . ? 
C29 H29A 0.9700 . ? 
C29 H29B 0.9700 . ? 
C30 H30A 0.9600 . ? 
C30 H30B 0.9600 . ? 
C30 H30C 0.9600 . ? 
C31 C32 1.531(3) . ? 
C32 C33 1.384(4) . ? 
C33 C34 1.390(4) . ? 
C33 H33 0.9300 . ? 
C34 C35 1.531(4) . ? 
C36 C37 1.536(4) . ? 
 
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 
O11 Dy1 O8 114.22(6) . . ? 
O11 Dy1 O5 78.69(6) . . ? 
O8 Dy1 O5 137.45(6) . . ? 
O11 Dy1 O4 142.16(6) . . ? 
O8 Dy1 O4 103.14(6) . . ? 
O5 Dy1 O4 77.85(6) . . ? 
O11 Dy1 O3 81.16(5) . . ? 
O8 Dy1 O3 135.80(6) . . ? 
O5 Dy1 O3 84.67(5) . . ? 
O4 Dy1 O3 67.48(5) . . ? 
O11 Dy1 O1 118.97(5) . . ? 
O8 Dy1 O1 77.09(6) . . ? 
O5 Dy1 O1 134.20(5) . . ? 
O4 Dy1 O1 62.78(5) . . ? 
O3 Dy1 O1 59.95(5) . . ? 
O11 Dy1 O6 70.75(6) . . ? 
O8 Dy1 O6 74.10(6) . . ? 
O5 Dy1 O6 72.82(6) . . ? 
O4 Dy1 O6 128.19(5) . . ? 
O3 Dy1 O6 146.70(5) . . ? 
O1 Dy1 O6 150.92(5) . . ? 
O11 Dy1 O7 132.77(6) . . ? 
O8 Dy1 O7 70.02(6) . . ? 
O5 Dy1 O7 72.32(6) . . ? 
O4 Dy1 O7 65.28(5) . . ? 
O3 Dy1 O7 130.62(6) . . ? 
O1 Dy1 O7 107.96(6) . . ? 
O6 Dy1 O7 65.53(6) . . ? 
O11 Dy1 O9 61.19(5) . . ? 
O8 Dy1 O9 77.72(5) . . ? 
O5 Dy1 O9 136.89(5) . . ? 
O4 Dy1 O9 125.04(5) . . ? 
O3 Dy1 O9 74.77(5) . . ? 
O1 Dy1 O9 64.14(5) . . ? 
O6 Dy1 O9 105.29(5) . . ? 
O7 Dy1 O9 147.73(5) . . ? 
O2 Dy2 O12 127.67(6) . . ? 
O2 Dy2 O15 146.41(6) . . ? 
O12 Dy2 O15 73.75(6) . . ? 
O2 Dy2 O16 93.51(6) . . ? 
O12 Dy2 O16 137.15(6) . . ? 
O15 Dy2 O16 76.79(6) . . ? 
O2 Dy2 O13 74.93(6) . . ? 
O12 Dy2 O13 71.62(5) . . ? 
O15 Dy2 O13 91.89(6) . . ? 
O16 Dy2 O13 140.04(6) . . ? 
O2 Dy2 O14 75.71(6) . . ? 
O12 Dy2 O14 126.23(5) . . ? 
O15 Dy2 O14 70.76(6) . . ? 
O16 Dy2 O14 69.47(6) . . ? 
O13 Dy2 O14 70.61(5) . . ? 
O2 Dy2 O9 129.01(5) . . ? 
O12 Dy2 O9 63.91(5) . . ? 
O15 Dy2 O9 81.99(6) . . ? 
O16 Dy2 O9 81.85(5) . . ? 
O13 Dy2 O9 135.07(5) . . ? 
O14 Dy2 O9 143.93(5) . . ? 
O2 Dy2 O3 65.75(5) . . ? 
O12 Dy2 O3 71.53(5) . . ? 
O15 Dy2 O3 144.60(6) . . ? 
O16 Dy2 O3 126.79(5) . . ? 
O13 Dy2 O3 83.66(5) . . ? 
O14 Dy2 O3 138.09(5) . . ? 
O9 Dy2 O3 76.88(5) . . ? 
O2 Dy2 O1 66.35(5) . . ? 
O12 Dy2 O1 112.93(5) . . ? 
O15 Dy2 O1 134.79(6) . . ? 
O16 Dy2 O1 69.42(5) . . ? 
O13 Dy2 O1 133.22(5) . . ? 
O14 Dy2 O1 120.79(5) . . ? 
O9 Dy2 O1 64.57(5) . . ? 
O3 Dy2 O1 57.38(5) . . ? 
O4 Co1 O1 83.94(7) . . ? 
O4 Co1 O2 174.33(7) . . ? 
O1 Co1 O2 91.19(7) . . ? 
O4 Co1 O3 89.51(7) . . ? 
O1 Co1 O3 79.34(7) . . ? 
O2 Co1 O3 86.72(7) . . ? 
O4 Co1 N1 98.76(8) . . ? 
O1 Co1 N1 87.73(8) . . ? 
O2 Co1 N1 83.91(8) . . ? 
O3 Co1 N1 163.86(8) . . ? 
O4 Co1 N2 87.28(8) . . ? 
O1 Co1 N2 162.40(8) . . ? 
O2 Co1 N2 96.62(8) . . ? 
O3 Co1 N2 85.38(8) . . ? 
N1 Co1 N2 108.71(9) . . ? 
O12 Co2 O10 87.98(7) . . ? 
O12 Co2 O11 93.01(7) . . ? 
O10 Co2 O11 178.87(7) . . ? 
O12 Co2 O9 84.11(7) . . ? 
O10 Co2 O9 97.39(7) . . ? 
O11 Co2 O9 83.25(7) . . ? 
O12 Co2 N4 86.11(7) . . ? 
O10 Co2 N4 92.73(8) . . ? 
O11 Co2 N4 86.80(8) . . ? 
O9 Co2 N4 165.65(8) . . ? 
O12 Co2 N3 167.18(8) . . ? 
O10 Co2 N3 83.98(8) . . ? 
O11 Co2 N3 95.13(8) . . ? 
O9 Co2 N3 87.03(7) . . ? 
N4 Co2 N3 104.20(8) . . ? 
C1 O1 Co1 109.96(14) . . ? 
C1 O1 Dy1 119.48(13) . . ? 
Co1 O1 Dy1 90.68(6) . . ? 
C1 O1 Dy2 136.28(14) . . ? 
Co1 O1 Dy2 87.08(6) . . ? 
Dy1 O1 Dy2 99.46(5) . . ? 
C1S O1S H1S 109.5 . . ? 
C4 O2 Co1 116.34(14) . . ? 
C4 O2 Dy2 131.77(15) . . ? 
Co1 O2 Dy2 94.38(6) . . ? 
C6 O3 Co1 114.46(14) . . ? 
C6 O3 Dy1 127.70(13) . . ? 
Co1 O3 Dy1 91.06(6) . . ? 
C6 O3 Dy2 120.19(13) . . ? 
Co1 O3 Dy2 89.97(6) . . ? 
Dy1 O3 Dy2 103.62(6) . . ? 
C9 O4 Co1 112.27(14) . . ? 
C9 O4 Dy1 133.55(14) . . ? 
Co1 O4 Dy1 92.93(7) . . ? 
C12 O5 Dy1 134.34(16) . . ? 
C14 O6 Dy1 131.07(16) . . ? 
C17 O7 Dy1 134.54(17) . . ? 
C19 O8 Dy1 138.69(17) . . ? 
C23 O9 Co2 109.07(13) . . ? 
C23 O9 Dy2 123.93(13) . . ? 
Co2 O9 Dy2 102.46(6) . . ? 
C23 O9 Dy1 118.61(13) . . ? 
Co2 O9 Dy1 101.75(6) . . ? 
Dy2 O9 Dy1 97.91(5) . . ? 
C21 O10 Co2 117.70(14) . . ? 
C26 O11 Co2 112.93(14) . . ? 
C26 O11 Dy1 129.51(15) . . ? 
Co2 O11 Dy1 113.62(7) . . ? 
C29 O12 Co2 108.57(13) . . ? 
C29 O12 Dy2 131.85(13) . . ? 
Co2 O12 Dy2 107.74(7) . . ? 
C32 O13 Dy2 135.71(16) . . ? 
C34 O14 Dy2 134.93(16) . . ? 
Dy2 O15 H3 110(2) . . ? 
Dy2 O15 H5 107(2) . . ? 
H3 O15 H5 106(3) . . ? 
C36 O16 Dy2 134.48(16) . . ? 
C5 N1 C3 110.2(2) . . ? 
C5 N1 C2 109.4(2) . . ? 
C3 N1 C2 108.54(19) . . ? 
C5 N1 Co1 117.84(16) . . ? 
C3 N1 Co1 105.75(15) . . ? 
C2 N1 Co1 104.70(14) . . ? 
C10 N2 C7 108.16(19) . . ? 
C10 N2 C8 109.3(2) . . ? 
C7 N2 C8 110.24(19) . . ? 
C10 N2 Co1 121.29(16) . . ? 
C7 N2 Co1 101.86(14) . . ? 
C8 N2 Co1 105.57(14) . . ? 
C25 N3 C22 108.54(19) . . ? 
C25 N3 C24 107.05(18) . . ? 
C22 N3 C24 110.8(2) . . ? 
C25 N3 Co2 119.65(16) . . ? 
C22 N3 Co2 106.73(14) . . ? 
C24 N3 Co2 103.91(14) . . ? 
C30 N4 C27 109.93(19) . . ? 
C30 N4 C28 108.39(19) . . ? 
C27 N4 C28 109.4(2) . . ? 
C30 N4 Co2 118.71(16) . . ? 
C27 N4 Co2 104.63(14) . . ? 
C28 N4 Co2 105.40(14) . . ? 
O1 C1 C2 106.91(19) . . ? 
O1 C1 H1A 110.3 . . ? 
C2 C1 H1A 110.3 . . ? 
O1 C1 H1B 110.3 . . ? 
C2 C1 H1B 110.3 . . ? 
H1A C1 H1B 108.6 . . ? 
O1S C1S H1S1 109.5 . . ? 
O1S C1S H1S2 109.5 . . ? 
H1S1 C1S H1S2 109.5 . . ? 
O1S C1S H1S3 109.5 . . ? 
H1S1 C1S H1S3 109.5 . . ? 
H1S2 C1S H1S3 109.5 . . ? 
N1 C2 C1 109.1(2) . . ? 
N1 C2 H2A 109.9 . . ? 
C1 C2 H2A 109.9 . . ? 
N1 C2 H2B 109.9 . . ? 
C1 C2 H2B 109.9 . . ? 
H2A C2 H2B 108.3 . . ? 
N1 C3 C4 108.2(2) . . ? 
N1 C3 H3A 110.1 . . ? 
C4 C3 H3A 110.1 . . ? 
N1 C3 H3B 110.1 . . ? 
C4 C3 H3B 110.1 . . ? 
H3A C3 H3B 108.4 . . ? 
O2 C4 C3 110.0(2) . . ? 
O2 C4 H4A 109.7 . . ? 
C3 C4 H4A 109.7 . . ? 
O2 C4 H4B 109.7 . . ? 
C3 C4 H4B 109.7 . . ? 
H4A C4 H4B 108.2 . . ? 
N1 C5 H5A 109.5 . . ? 
N1 C5 H5B 109.5 . . ? 
H5A C5 H5B 109.5 . . ? 
N1 C5 H5C 109.5 . . ? 
H5A C5 H5C 109.5 . . ? 
H5B C5 H5C 109.5 . . ? 
O3 C6 C7 108.23(19) . . ? 
O3 C6 H6A 110.1 . . ? 
C7 C6 H6A 110.1 . . ? 
O3 C6 H6B 110.1 . . ? 
C7 C6 H6B 110.1 . . ? 
H6A C6 H6B 108.4 . . ? 
N2 C7 C6 110.00(19) . . ? 
N2 C7 H7A 109.7 . . ? 
C6 C7 H7A 109.7 . . ? 
N2 C7 H7B 109.7 . . ? 
C6 C7 H7B 109.7 . . ? 
H7A C7 H7B 108.2 . . ? 
C9 C8 N2 109.5(2) . . ? 
C9 C8 H8A 109.8 . . ? 
N2 C8 H8A 109.8 . . ? 
C9 C8 H8B 109.8 . . ? 
N2 C8 H8B 109.8 . . ? 
H8A C8 H8B 108.2 . . ? 
O4 C9 C8 108.6(2) . . ? 
O4 C9 H9A 110.0 . . ? 
C8 C9 H9A 110.0 . . ? 
O4 C9 H9B 110.0 . . ? 
C8 C9 H9B 110.0 . . ? 
H9A C9 H9B 108.4 . . ? 
N2 C10 H10A 109.5 . . ? 
N2 C10 H10B 109.5 . . ? 
H10A C10 H10B 109.5 . . ? 
N2 C10 H10C 109.5 . . ? 
H10A C10 H10C 109.5 . . ? 
H10B C10 H10C 109.5 . . ? 
F1 C11 F3 108.8(10) . . ? 
F1 C11 F2' 116.2(11) . . ? 
F3 C11 F2' 75.4(7) . . ? 
F1 C11 F3' 82.1(9) . . ? 
F3 C11 F3' 36.4(6) . . ? 
F2' C11 F3' 109.2(6) . . ? 
F1 C11 F1' 21.0(11) . . ? 
F3 C11 F1' 127.2(8) . . ? 
F2' C11 F1' 107.9(7) . . ? 
F3' C11 F1' 103.1(5) . . ? 
F1 C11 F2 108.3(14) . . ? 
F3 C11 F2 96.0(12) . . ? 
F2' C11 F2 20.7(13) . . ? 
F3' C11 F2 128.7(10) . . ? 
F1' C11 F2 94.3(8) . . ? 
F1 C11 C12 119.7(10) . . ? 
F3 C11 C12 113.4(6) . . ? 
F2' C11 C12 114.7(5) . . ? 
F3' C11 C12 109.2(4) . . ? 
F1' C11 C12 112.0(4) . . ? 
F2 C11 C12 107.9(8) . . ? 
O5 C12 C13 128.8(2) . . ? 
O5 C12 C11 114.1(2) . . ? 
C13 C12 C11 117.1(2) . . ? 
C12 C13 C14 122.4(2) . . ? 
C12 C13 H13 118.8 . . ? 
C14 C13 H13 118.8 . . ? 
O6 C14 C13 128.3(2) . . ? 
O6 C14 C15 114.7(2) . . ? 
C13 C14 C15 117.0(2) . . ? 
F5 C15 F4 107.9(3) . . ? 
F5 C15 F6 106.8(2) . . ? 
F4 C15 F6 106.6(2) . . ? 
F5 C15 C14 112.0(2) . . ? 
F4 C15 C14 109.5(2) . . ? 
F6 C15 C14 113.8(2) . . ? 
F9 C16 F7 109.8(4) . . ? 
F9 C16 F8 104.7(4) . . ? 
F7 C16 F8 105.2(3) . . ? 
F9 C16 C17 114.6(3) . . ? 
F7 C16 C17 112.9(3) . . ? 
F8 C16 C17 109.0(3) . . ? 
O7 C17 C18 127.8(3) . . ? 
O7 C17 C16 114.6(3) . . ? 
C18 C17 C16 117.6(3) . . ? 
C19 C18 C17 120.4(2) . . ? 
C19 C18 H18 119.8 . . ? 
C17 C18 H18 119.8 . . ? 
O8 C19 C18 128.2(3) . . ? 
O8 C19 C20 112.8(2) . . ? 
C18 C19 C20 119.0(2) . . ? 
F11 C20 F12 107.9(3) . . ? 
F11 C20 F10 105.1(3) . . ? 
F12 C20 F10 106.5(3) . . ? 
F11 C20 C19 111.9(3) . . ? 
F12 C20 C19 113.9(3) . . ? 
F10 C20 C19 111.1(3) . . ? 
O10 C21 C22 110.1(2) . . ? 
O10 C21 H21A 109.6 . . ? 
C22 C21 H21A 109.6 . . ? 
O10 C21 H21B 109.6 . . ? 
C22 C21 H21B 109.6 . . ? 
H21A C21 H21B 108.2 . . ? 
N3 C22 C21 109.9(2) . . ? 
N3 C22 H22A 109.7 . . ? 
C21 C22 H22A 109.7 . . ? 
N3 C22 H22B 109.7 . . ? 
C21 C22 H22B 109.7 . . ? 
H22A C22 H22B 108.2 . . ? 
O9 C23 C24 106.64(19) . . ? 
O9 C23 H23A 110.4 . . ? 
C24 C23 H23A 110.4 . . ? 
O9 C23 H23B 110.4 . . ? 
C24 C23 H23B 110.4 . . ? 
H23A C23 H23B 108.6 . . ? 
N3 C24 C23 111.84(19) . . ? 
N3 C24 H24A 109.2 . . ? 
C23 C24 H24A 109.2 . . ? 
N3 C24 H24B 109.2 . . ? 
C23 C24 H24B 109.2 . . ? 
H24A C24 H24B 107.9 . . ? 
N3 C25 H25A 109.5 . . ? 
N3 C25 H25B 109.5 . . ? 
H25A C25 H25B 109.5 . . ? 
N3 C25 H25C 109.5 . . ? 
H25A C25 H25C 109.5 . . ? 
H25B C25 H25C 109.5 . . ? 
O11 C26 C27 109.3(2) . . ? 
O11 C26 H26A 109.8 . . ? 
C27 C26 H26A 109.8 . . ? 
O11 C26 H26B 109.8 . . ? 
C27 C26 H26B 109.8 . . ? 
H26A C26 H26B 108.3 . . ? 
N4 C27 C26 109.26(19) . . ? 
N4 C27 H27A 109.8 . . ? 
C26 C27 H27A 109.8 . . ? 
N4 C27 H27B 109.8 . . ? 
C26 C27 H27B 109.8 . . ? 
H27A C27 H27B 108.3 . . ? 
C29 C28 N4 109.82(19) . . ? 
C29 C28 H28A 109.7 . . ? 
N4 C28 H28A 109.7 . . ? 
C29 C28 H28B 109.7 . . ? 
N4 C28 H28B 109.7 . . ? 
H28A C28 H28B 108.2 . . ? 
O12 C29 C28 105.77(19) . . ? 
O12 C29 H29A 110.6 . . ? 
C28 C29 H29A 110.6 . . ? 
O12 C29 H29B 110.6 . . ? 
C28 C29 H29B 110.6 . . ? 
H29A C29 H29B 108.7 . . ? 
N4 C30 H30A 109.5 . . ? 
N4 C30 H30B 109.5 . . ? 
H30A C30 H30B 109.5 . . ? 
N4 C30 H30C 109.5 . . ? 
H30A C30 H30C 109.5 . . ? 
H30B C30 H30C 109.5 . . ? 
F13 C31 F14 105.8(2) . . ? 
F13 C31 F15 106.9(2) . . ? 
F14 C31 F15 106.6(2) . . ? 
F13 C31 C32 112.1(2) . . ? 
F14 C31 C32 111.5(2) . . ? 
F15 C31 C32 113.4(2) . . ? 
O13 C32 C33 128.3(2) . . ? 
O13 C32 C31 114.1(2) . . ? 
C33 C32 C31 117.5(2) . . ? 
C32 C33 C34 121.0(2) . . ? 
C32 C33 H33 119.5 . . ? 
C34 C33 H33 119.5 . . ? 
O14 C34 C33 128.3(2) . . ? 
O14 C34 C35 114.9(2) . . ? 
C33 C34 C35 116.9(2) . . ? 
F17' C35 F16 129.2(5) . . ? 
F17' C35 F16' 108.6(10) . . ? 
F16 C35 F16' 38.6(5) . . ? 
F17' C35 F18 55.2(14) . . ? 
F16 C35 F18 112.4(4) . . ? 
F16' C35 F18 132.6(5) . . ? 
F17' C35 F17 46.1(15) . . ? 
F16 C35 F17 107.7(5) . . ? 
F16' C35 F17 71.6(6) . . ? 
F18 C35 F17 100.5(4) . . ? 
F17' C35 F18' 109.7(11) . . ? 
F16 C35 F18' 58.3(6) . . ? 
F16' C35 F18' 95.0(6) . . ? 
F18 C35 F18' 60.3(6) . . ? 
F17 C35 F18' 139.5(5) . . ? 
F17' C35 C34 117.8(5) . . ? 
F16 C35 C34 112.2(3) . . ? 
F16' C35 C34 114.0(5) . . ? 
F18 C35 C34 112.3(3) . . ? 
F17 C35 C34 111.0(3) . . ? 
F18' C35 C34 109.4(4) . . ? 
O17 C36 O16 130.1(2) . . ? 
O17 C36 C37 117.2(2) . . ? 
O16 C36 C37 112.7(2) . . ? 
F20 C37 F19 106.2(2) . . ? 
F20 C37 F21 107.2(2) . . ? 
F19 C37 F21 106.4(2) . . ? 
F20 C37 C36 113.7(2) . . ? 
F19 C37 C36 111.6(2) . . ? 
F21 C37 C36 111.2(2) . . ? 
 
_diffrn_measured_fraction_theta_max    0.993 
_diffrn_reflns_theta_full              27.50 
_diffrn_measured_fraction_theta_full   0.993 
_refine_diff_density_max    1.002 
_refine_diff_density_min   -0.755 
_refine_diff_density_rms    0.086 
 
data_c:\x-seed\cr2dy2~2\pbca 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C42 H34 Cr2 Dy2 F36 N2 O18' 
_chemical_formula_weight          1967.71 
 
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' 
 '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' 
 'F'  'F'   0.0171   0.0103 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cr'  'Cr'   0.3209   0.6236 
 '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' 
 
_symmetry_cell_setting            orthorhombic
_symmetry_space_group_name_H-M    pbca 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, -y, z+1/2' 
 'x+1/2, -y+1/2, -z' 
 '-x, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, y, -z-1/2' 
 '-x-1/2, y-1/2, z' 
 'x, -y-1/2, z-1/2' 
 
_cell_length_a                    17.6229(9) 
_cell_length_b                    18.9489(9) 
_cell_length_c                    19.4315(10) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      6488.9(6) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     123(2) 
_cell_measurement_reflns_used     9721 
_cell_measurement_theta_min       2.11 
_cell_measurement_theta_max       29.01 
 
_exptl_crystal_description        plate 
_exptl_crystal_colour             purple 
_exptl_crystal_size_max           0.3 
_exptl_crystal_size_mid           0.2 
_exptl_crystal_size_min           0.1 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     2.014 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              3792 
_exptl_absorpt_coefficient_mu     2.770 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.520 
_exptl_absorpt_correction_T_max   0.758 
_exptl_absorpt_process_details    SADABS 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       123(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'APEX X8'  
_diffrn_measurement_method        'scans in phi and omega'    
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             33709 
_diffrn_reflns_av_R_equivalents   0.0376 
_diffrn_reflns_av_sigmaI/netI     0.0456 
_diffrn_reflns_limit_h_min        -24 
_diffrn_reflns_limit_h_max        25 
_diffrn_reflns_limit_k_min        -18 
_diffrn_reflns_limit_k_max        27 
_diffrn_reflns_limit_l_min        -25 
_diffrn_reflns_limit_l_max        25 
_diffrn_reflns_theta_min          3.00 
_diffrn_reflns_theta_max          30.68 
_reflns_number_total              9524 
_reflns_number_gt                 6895 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Bruker Apex2 V2.0'    
_computing_cell_refinement        'Bruker Apex2 V2.0'    
_computing_data_reduction         'Bruker Apex2 V2.0'    
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'X-Seed'  
_computing_publication_material   'CIFTAB'   
 
_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.
The asymmetric unit contained half of the molecule, which lies upon a
inversion centre. F10 (F10'), F11 (F11') and F12 (F12') are found to be 
disordered over two positions (50:50).Thermal (ISOR) restraints are placed on 
these atoms. 
All the non-hydrogen atoms are refined anisotropically and all hydrogen atoms 
are placed in calculated positions. 
; 
 
_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)+(0.0327P)²+13.5735P] 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          9524 
_refine_ls_number_parameters      490 
_refine_ls_number_restraints      36 
_refine_ls_R_factor_all           0.0671 
_refine_ls_R_factor_gt            0.0387 
_refine_ls_wR_factor_ref          0.0916 
_refine_ls_wR_factor_gt           0.0784 
_refine_ls_goodness_of_fit_ref    1.074 
_refine_ls_restrained_S_all       1.090 
_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 
Dy1 Dy 0.915467(10) 0.019698(9) 0.428365(8) 0.01605(5) Uani 1 1 d . . . 
Cr1 Cr 0.98708(4) 0.13138(3) 0.54747(3) 0.01806(13) Uani 1 1 d . . . 
F1 F 0.9738(2) 0.09989(16) 0.78719(14) 0.0589(10) Uani 1 1 d . . . 
F2 F 1.03762(19) 0.1951(2) 0.77407(15) 0.0658(11) Uani 1 1 d . . . 
F3 F 0.92275(18) 0.19925(17) 0.80731(13) 0.0488(8) Uani 1 1 d . . . 
F4 F 0.73399(18) 0.2473(2) 0.64437(18) 0.0689(11) Uani 1 1 d . . . 
F5 F 0.7790(2) 0.27827(18) 0.5466(2) 0.0731(12) Uani 1 1 d . . . 
F6 F 0.72864(16) 0.17755(17) 0.55952(16) 0.0480(8) Uani 1 1 d . . . 
F7 F 0.7678(2) 0.23827(17) 0.3507(2) 0.0798(13) Uani 1 1 d . . . 
F8 F 0.67281(17) 0.18134(17) 0.31382(17) 0.0523(8) Uani 1 1 d . . . 
F9 F 0.7814(2) 0.1704(2) 0.26617(18) 0.0900(15) Uani 1 1 d . . . 
F10 F 0.5990(7) 0.0049(9) 0.4683(6) 0.062(4) Uani 0.50(2) 1 d PU A 1 
F10' F 0.6015(8) 0.0302(8) 0.4961(10) 0.080(4) Uani 0.50(2) 1 d PU A 2 
F11 F 0.6623(9) 0.0204(10) 0.5607(5) 0.085(4) Uani 0.50(2) 1 d PU A 1 
F11' F 0.6535(9) -0.0688(8) 0.4673(8) 0.083(4) Uani 0.50(2) 1 d PU A 2 
F12 F 0.6724(7) -0.0718(7) 0.5005(10) 0.078(4) Uani 0.50(2) 1 d PU A 1 
F12' F 0.6815(5) -0.0226(10) 0.5590(5) 0.066(4) Uani 0.50(2) 1 d PU A 2 
F13 F 0.7048(2) -0.0514(4) 0.2695(3) 0.167(3) Uani 1 1 d . . . 
F14 F 0.7709(4) -0.1389(3) 0.2708(3) 0.141(3) Uani 1 1 d . . . 
F15 F 0.7684(2) -0.0784(2) 0.18314(15) 0.0728(12) Uani 1 1 d . . . 
F16 F 0.9735(2) 0.0720(2) 0.14453(14) 0.0735(12) Uani 1 1 d . . . 
F17 F 0.9948(2) 0.14808(15) 0.22340(15) 0.0611(10) Uani 1 1 d . . . 
F18 F 1.0654(2) 0.0588(2) 0.21325(19) 0.0685(10) Uani 1 1 d . . . 
O1 O 0.95526(15) 0.03221(13) 0.55226(13) 0.0176(5) Uani 1 1 d . . . 
O2 O 1.08827(15) 0.09621(14) 0.54638(13) 0.0210(5) Uani 1 1 d . . . 
O3 O 0.97424(16) 0.12252(13) 0.45029(13) 0.0205(6) Uani 1 1 d . . . 
O4 O 0.99500(16) 0.14406(14) 0.64991(13) 0.0216(6) Uani 1 1 d . . . 
O5 O 0.88322(17) 0.17195(15) 0.55400(14) 0.0253(6) Uani 1 1 d . . . 
O6 O 0.83846(16) 0.10949(15) 0.37987(15) 0.0279(6) Uani 1 1 d . . . 
O7 O 0.79475(16) 0.01219(15) 0.47812(14) 0.0247(6) Uani 1 1 d . . . 
O8 O 0.83861(17) -0.03582(15) 0.34384(13) 0.0258(6) Uani 1 1 d . . . 
O9 O 0.96807(16) 0.04231(14) 0.32094(13) 0.0225(6) Uani 1 1 d . . . 
N1 N 1.0403(2) 0.22668(17) 0.52192(17) 0.0279(8) Uani 1 1 d . . . 
C1 C 0.8964(3) 0.0107(3) 0.6021(2) 0.0337(10) Uani 1 1 d . . . 
H1A H 0.9127 0.0224 0.6478 0.051 Uiso 1 1 calc R . . 
H1B H 0.8883 -0.0393 0.5988 0.051 Uiso 1 1 calc R . . 
H1C H 0.8499 0.0350 0.5920 0.051 Uiso 1 1 calc R . . 
C2 C 1.1477(3) 0.1464(2) 0.5416(3) 0.0405(12) Uani 1 1 d . . . 
H2A H 1.1709 0.1438 0.4964 0.049 Uiso 1 1 calc R . . 
H2B H 1.1863 0.1360 0.5757 0.049 Uiso 1 1 calc R . . 
C3 C 1.1174(3) 0.2174(3) 0.5531(3) 0.0450(13) Uani 1 1 d . . . 
H3A H 1.1518 0.2518 0.5333 0.054 Uiso 1 1 calc R . . 
H3B H 1.1145 0.2263 0.6022 0.054 Uiso 1 1 calc R . . 
C4 C 1.0452(4) 0.2276(3) 0.4456(2) 0.0523(16) Uani 1 1 d . . . 
H4A H 1.0440 0.2760 0.4292 0.063 Uiso 1 1 calc R . . 
H4B H 1.0927 0.2065 0.4310 0.063 Uiso 1 1 calc R . . 
C5 C 0.9807(3) 0.1877(2) 0.4154(2) 0.0328(10) Uani 1 1 d . . . 
H5A H 0.9341 0.2145 0.4204 0.039 Uiso 1 1 calc R . . 
H5B H 0.9895 0.1797 0.3668 0.039 Uiso 1 1 calc R . . 
C6 C 1.0065(3) 0.2911(2) 0.5505(3) 0.0442(13) Uani 1 1 d . . . 
H6A H 1.0383 0.3307 0.5398 0.066 Uiso 1 1 calc R . . 
H6B H 1.0021 0.2864 0.5996 0.066 Uiso 1 1 calc R . . 
H6C H 0.9571 0.2981 0.5309 0.066 Uiso 1 1 calc R . . 
C7 C 0.9705(3) 0.1661(2) 0.7659(2) 0.0328(10) Uani 1 1 d . . . 
C8 C 0.9460(3) 0.1684(2) 0.69022(19) 0.0234(8) Uani 1 1 d . . . 
C9 C 0.8751(3) 0.1949(2) 0.6746(2) 0.0272(9) Uani 1 1 d . . . 
H9 H 0.8444 0.2130 0.7093 0.033 Uiso 1 1 calc R . . 
C10 C 0.8497(2) 0.1944(2) 0.6067(2) 0.0258(9) Uani 1 1 d . . . 
C11 C 0.7719(3) 0.2249(3) 0.5898(3) 0.0366(11) Uani 1 1 d . . . 
C12 C 0.7465(3) 0.1759(3) 0.3242(3) 0.0448(13) Uani 1 1 d . . . 
C13 C 0.7684(3) 0.1171(2) 0.3745(2) 0.0273(9) Uani 1 1 d . . . 
C14 C 0.7121(2) 0.0804(2) 0.4087(2) 0.0284(9) Uani 1 1 d . . . 
H14 H 0.6615 0.0890 0.3980 0.034 Uiso 1 1 calc R . . 
C15 C 0.7301(2) 0.0311(2) 0.4585(2) 0.0245(9) Uani 1 1 d . A . 
C16 C 0.6652(3) -0.0047(3) 0.4970(3) 0.0421(12) Uani 1 1 d . . . 
C17 C 0.7681(3) -0.0736(3) 0.2495(3) 0.0488(14) Uani 1 1 d . . . 
C18 C 0.8341(3) -0.0314(2) 0.2803(2) 0.0280(9) Uani 1 1 d . . . 
C19 C 0.8807(3) 0.0065(2) 0.2360(2) 0.0301(10) Uani 1 1 d . . . 
H19 H 0.8688 0.0089 0.1895 0.036 Uiso 1 1 calc R . . 
C20 C 0.9438(3) 0.0401(2) 0.26015(19) 0.0243(9) Uani 1 1 d . . . 
C21 C 0.9936(3) 0.0797(3) 0.2094(2) 0.0373(11) Uani 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 O3 2.247(2) . ? 
Dy1 O2 2.251(3) 5_756 ? 
Dy1 O9 2.324(3) . ? 
Dy1 O7 2.341(3) . ? 
Dy1 O6 2.372(3) . ? 
Dy1 O8 2.375(3) . ? 
Dy1 O1 2.510(3) 5_756 ? 
Dy1 O1 2.519(2) . ? 
Cr1 O2 1.904(3) . ? 
Cr1 O3 1.909(3) . ? 
Cr1 O1 1.963(3) . ? 
Cr1 O5 1.989(3) . ? 
Cr1 O4 2.010(3) . ? 
Cr1 N1 2.094(3) . ? 
Cr1 Dy1 3.3714(6) 5_756 ? 
F1 C7 1.323(5) . ? 
F2 C7 1.314(6) . ? 
F3 C7 1.323(5) . ? 
F4 C11 1.323(6) . ? 
F5 C11 1.321(6) . ? 
F6 C11 1.315(6) . ? 
F7 C12 1.342(7) . ? 
F8 C12 1.319(6) . ? 
F9 C12 1.289(6) . ? 
F10 C16 1.305(11) . ? 
F10' C16 1.304(13) . ? 
F11 C16 1.328(10) . ? 
F11' C16 1.361(14) . ? 
F12 C16 1.279(13) . ? 
F12' C16 1.285(9) . ? 
F13 C17 1.254(7) . ? 
F14 C17 1.307(7) . ? 
F15 C17 1.292(5) . ? 
F16 C21 1.317(5) . ? 
F17 C21 1.324(5) . ? 
F18 C21 1.328(6) . ? 
O1 C1 1.476(5) . ? 
O1 Dy1 2.510(3) 5_756 ? 
O2 C2 1.417(5) . ? 
O2 Dy1 2.251(3) 5_756 ? 
O3 C5 1.414(4) . ? 
O4 C8 1.254(5) . ? 
O5 C10 1.256(5) . ? 
O6 C13 1.247(5) . ? 
O7 C15 1.254(5) . ? 
O8 C18 1.240(5) . ? 
O9 C20 1.257(5) . ? 
N1 C6 1.466(5) . ? 
N1 C4 1.486(6) . ? 
N1 C3 1.498(7) . ? 
C2 C3 1.465(7) . ? 
C4 C5 1.485(7) . ? 
C7 C8 1.533(5) . ? 
C8 C9 1.380(6) . ? 
C9 C10 1.393(6) . ? 
C10 C11 1.524(6) . ? 
C12 C13 1.532(6) . ? 
C13 C14 1.381(6) . ? 
C14 C15 1.382(6) . ? 
C15 C16 1.527(6) . ? 
C17 C18 1.533(6) . ? 
C18 C19 1.389(6) . ? 
C19 C20 1.365(6) . ? 
C20 C21 1.519(6) . ? 
 
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 
O3 Dy1 O2 144.88(10) . 5_756 ? 
O3 Dy1 O9 80.01(9) . . ? 
O2 Dy1 O9 112.79(10) 5_756 . ? 
O3 Dy1 O7 113.15(10) . . ? 
O2 Dy1 O7 79.87(10) 5_756 . ? 
O9 Dy1 O7 138.13(10) . . ? 
O3 Dy1 O6 73.57(10) . . ? 
O2 Dy1 O6 140.33(10) 5_756 . ? 
O9 Dy1 O6 74.88(10) . . ? 
O7 Dy1 O6 71.80(10) . . ? 
O3 Dy1 O8 141.09(9) . . ? 
O2 Dy1 O8 72.66(10) 5_756 . ? 
O9 Dy1 O8 71.81(9) . . ? 
O7 Dy1 O8 74.96(10) . . ? 
O6 Dy1 O8 73.54(10) . . ? 
O3 Dy1 O1 83.86(9) . 5_756 ? 
O2 Dy1 O1 67.14(9) 5_756 5_756 ? 
O9 Dy1 O1 81.08(9) . 5_756 ? 
O7 Dy1 O1 137.65(9) . 5_756 ? 
O6 Dy1 O1 149.34(9) . 5_756 ? 
O8 Dy1 O1 116.61(9) . 5_756 ? 
O3 Dy1 O1 66.98(8) . . ? 
O2 Dy1 O1 83.78(9) 5_756 . ? 
O9 Dy1 O1 136.90(9) . . ? 
O7 Dy1 O1 82.18(9) . . ? 
O6 Dy1 O1 118.14(9) . . ? 
O8 Dy1 O1 149.50(9) . . ? 
O1 Dy1 O1 68.95(10) 5_756 . ? 
O2 Cr1 O3 93.97(12) . . ? 
O2 Cr1 O1 86.16(11) . . ? 
O3 Cr1 O1 85.92(11) . . ? 
O2 Cr1 O5 176.20(12) . . ? 
O3 Cr1 O5 89.32(12) . . ? 
O1 Cr1 O5 95.98(12) . . ? 
O2 Cr1 O4 89.30(11) . . ? 
O3 Cr1 O4 176.66(12) . . ? 
O1 Cr1 O4 95.01(11) . . ? 
O5 Cr1 O4 87.39(11) . . ? 
O2 Cr1 N1 83.11(14) . . ? 
O3 Cr1 N1 83.94(12) . . ? 
O1 Cr1 N1 164.67(13) . . ? 
O5 Cr1 N1 95.37(14) . . ? 
O4 Cr1 N1 95.77(12) . . ? 
O2 Cr1 Dy1 39.39(8) . 5_756 ? 
O3 Cr1 Dy1 97.09(8) . 5_756 ? 
O1 Cr1 Dy1 47.63(8) . 5_756 ? 
O5 Cr1 Dy1 142.01(9) . 5_756 ? 
O4 Cr1 Dy1 85.88(8) . 5_756 ? 
N1 Cr1 Dy1 122.49(11) . 5_756 ? 
C1 O1 Cr1 119.7(2) . . ? 
C1 O1 Dy1 115.6(2) . 5_756 ? 
Cr1 O1 Dy1 97.06(11) . 5_756 ? 
C1 O1 Dy1 113.9(2) . . ? 
Cr1 O1 Dy1 97.14(10) . . ? 
Dy1 O1 Dy1 111.05(10) 5_756 . ? 
C2 O2 Cr1 117.2(3) . . ? 
C2 O2 Dy1 133.7(3) . 5_756 ? 
Cr1 O2 Dy1 108.16(12) . 5_756 ? 
C5 O3 Cr1 112.8(2) . . ? 
C5 O3 Dy1 134.7(2) . . ? 
Cr1 O3 Dy1 108.56(11) . . ? 
C8 O4 Cr1 127.9(3) . . ? 
C10 O5 Cr1 128.0(3) . . ? 
C13 O6 Dy1 133.0(3) . . ? 
C15 O7 Dy1 133.0(2) . . ? 
C18 O8 Dy1 134.0(3) . . ? 
C20 O9 Dy1 134.6(3) . . ? 
C6 N1 C4 113.1(4) . . ? 
C6 N1 C3 108.2(4) . . ? 
C4 N1 C3 110.6(4) . . ? 
C6 N1 Cr1 116.5(3) . . ? 
C4 N1 Cr1 105.8(3) . . ? 
C3 N1 Cr1 102.1(3) . . ? 
O2 C2 C3 109.7(4) . . ? 
C2 C3 N1 112.1(4) . . ? 
C5 C4 N1 110.1(4) . . ? 
O3 C5 C4 108.5(4) . . ? 
F2 C7 F1 108.6(4) . . ? 
F2 C7 F3 107.5(4) . . ? 
F1 C7 F3 106.7(4) . . ? 
F2 C7 C8 111.0(4) . . ? 
F1 C7 C8 109.9(3) . . ? 
F3 C7 C8 113.0(4) . . ? 
O4 C8 C9 128.3(4) . . ? 
O4 C8 C7 113.2(4) . . ? 
C9 C8 C7 118.5(4) . . ? 
C8 C9 C10 119.8(4) . . ? 
O5 C10 C9 128.5(4) . . ? 
O5 C10 C11 112.1(4) . . ? 
C9 C10 C11 119.4(4) . . ? 
F6 C11 F5 107.0(4) . . ? 
F6 C11 F4 106.6(4) . . ? 
F5 C11 F4 108.1(4) . . ? 
F6 C11 C10 111.1(4) . . ? 
F5 C11 C10 109.9(4) . . ? 
F4 C11 C10 113.8(4) . . ? 
F9 C12 F8 110.0(5) . . ? 
F9 C12 F7 106.0(5) . . ? 
F8 C12 F7 105.4(4) . . ? 
F9 C12 C13 112.2(4) . . ? 
F8 C12 C13 113.7(4) . . ? 
F7 C12 C13 109.0(4) . . ? 
O6 C13 C14 127.8(4) . . ? 
O6 C13 C12 112.7(4) . . ? 
C14 C13 C12 119.5(4) . . ? 
C13 C14 C15 120.8(4) . . ? 
O7 C15 C14 128.0(4) . . ? 
O7 C15 C16 113.8(4) . . ? 
C14 C15 C16 118.1(4) . . ? 
F12 C16 F12' 70.4(7) . . ? 
F12 C16 F10' 126.3(9) . . ? 
F12' C16 F10' 109.8(8) . . ? 
F12 C16 F10 104.5(9) . . ? 
F12' C16 F10 129.6(7) . . ? 
F10' C16 F10 32.3(7) . . ? 
F12 C16 F11 108.1(8) . . ? 
F12' C16 F11 39.5(6) . . ? 
F10' C16 F11 78.3(8) . . ? 
F10 C16 F11 108.4(8) . . ? 
F12 C16 F11' 31.9(6) . . ? 
F12' C16 F11' 101.3(8) . . ? 
F10' C16 F11' 108.5(10) . . ? 
F10 C16 F11' 78.9(8) . . ? 
F11 C16 F11' 135.3(8) . . ? 
F12 C16 C15 113.1(6) . . ? 
F12' C16 C15 114.2(6) . . ? 
F10' C16 C15 114.4(7) . . ? 
F10 C16 C15 113.5(6) . . ? 
F11 C16 C15 109.0(6) . . ? 
F11' C16 C15 107.6(6) . . ? 
F13 C17 F15 109.7(5) . . ? 
F13 C17 F14 104.7(6) . . ? 
F15 C17 F14 104.4(5) . . ? 
F13 C17 C18 112.2(5) . . ? 
F15 C17 C18 115.0(5) . . ? 
F14 C17 C18 110.0(5) . . ? 
O8 C18 C19 127.9(4) . . ? 
O8 C18 C17 113.7(4) . . ? 
C19 C18 C17 118.4(4) . . ? 
C20 C19 C18 120.7(4) . . ? 
O9 C20 C19 128.0(4) . . ? 
O9 C20 C21 113.4(4) . . ? 
C19 C20 C21 118.6(4) . . ? 
F16 C21 F17 108.0(4) . . ? 
F16 C21 F18 106.1(4) . . ? 
F17 C21 F18 105.3(4) . . ? 
F16 C21 C20 114.3(4) . . ? 
F17 C21 C20 111.1(4) . . ? 
F18 C21 C20 111.5(4) . . ? 
 
_diffrn_measured_fraction_theta_max    0.948 
_diffrn_reflns_theta_full              30.68 
_diffrn_measured_fraction_theta_full   0.948 
_refine_diff_density_max    1.324 
_refine_diff_density_min   -0.923 
_refine_diff_density_rms    0.141 
