# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 1508572'
_audit_update_record             
;
2016-10-06 deposited with the CCDC.
2016-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H79 Cl2 Gd N8 Ni2 O21'
_chemical_formula_weight         1593.88

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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   P2(1)/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                   14.4173(19)
_cell_length_b                   13.936(2)
_cell_length_c                   31.800(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.552(3)
_cell_angle_gamma                90.00
_cell_volume                     6386.6(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    9799
_cell_measurement_theta_min      2.9235
_cell_measurement_theta_max      27.702

_exptl_crystal_description       strip-type
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3268
_exptl_absorpt_coefficient_mu    1.777
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6853
_exptl_absorpt_correction_T_max  0.7176
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      299(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            140573
_diffrn_reflns_av_R_equivalents  0.1014
_diffrn_reflns_av_sigmaI/netI    0.0722
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         2.77
_diffrn_reflns_theta_max         27.75
_reflns_number_total             14945
_reflns_number_gt                11308
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_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. 
;

_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)+(0.0000P)²+57.3240P] 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         14945
_refine_ls_number_parameters     865
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0692
_refine_ls_wR_factor_ref         0.1160
_refine_ls_wR_factor_gt          0.1048
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_restrained_S_all      1.133
_refine_ls_shift/su_max          0.014
_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 0.255942(17) 0.88405(2) 0.106112(8) 0.00932(7) Uani 1 1 d . . .
Ni1 Ni 0.35234(5) 0.64585(5) 0.11084(2) 0.01151(15) Uani 1 1 d . . .
Ni2 Ni 0.15895(5) 0.95842(5) 0.20160(2) 0.01188(15) Uani 1 1 d . . .
O1 O 0.2177(3) 0.9476(3) -0.04512(13) 0.0232(10) Uani 1 1 d . . .
O2 O 0.3048(3) 0.8977(3) 0.02648(12) 0.0169(9) Uani 1 1 d D . .
H2 H 0.290(4) 0.9560(15) 0.0222(10) 0.025 Uiso 1 1 d D . .
O3 O 0.3797(2) 0.7851(3) 0.13061(11) 0.0121(8) Uani 1 1 d . . .
O4 O 0.4219(2) 0.9546(3) 0.10190(12) 0.0136(8) Uani 1 1 d . . .
O5 O 0.2355(2) 0.7209(3) 0.09197(12) 0.0111(8) Uani 1 1 d . . .
O6 O 0.1762(3) 0.6912(3) 0.01309(12) 0.0164(9) Uani 1 1 d . . .
O7 O 0.2805(3) 1.1088(3) 0.01242(12) 0.0199(9) Uani 1 1 d . . .
O8 O 0.2157(3) 1.0241(3) 0.08005(13) 0.0164(9) Uani 1 1 d . . .
O9 O 0.1322(2) 0.8692(3) 0.15119(11) 0.0105(8) Uani 1 1 d . . .
O10 O 0.0932(2) 0.8607(3) 0.07012(12) 0.0146(8) Uani 1 1 d . . .
O11 O 0.2826(2) 0.9626(3) 0.17041(12) 0.0125(8) Uani 1 1 d . . .
O12 O 0.3705(3) 1.1291(3) 0.16406(16) 0.0335(12) Uani 1 1 d . . .
N1 N 0.3832(3) 0.6698(3) 0.04642(15) 0.0149(10) Uani 1 1 d . . .
H1 H 0.3264 0.6870 0.0357 0.018 Uiso 1 1 calc R . .
N2 N 0.3449(3) 0.4996(3) 0.08909(15) 0.0156(10) Uani 1 1 d . . .
N3 N 0.4814(3) 0.6026(3) 0.13356(15) 0.0148(10) Uani 1 1 d . . .
H3 H 0.5225 0.6139 0.1129 0.018 Uiso 1 1 calc R . .
N4 N 0.2627(3) 0.5850(3) 0.16054(15) 0.0131(10) Uani 1 1 d . . .
H4 H 0.2912 0.5961 0.1859 0.016 Uiso 1 1 calc R . .
N5 N 0.1378(3) 1.0889(3) 0.16685(14) 0.0139(10) Uani 1 1 d . . .
H5 H 0.1941 1.0976 0.1552 0.017 Uiso 1 1 calc R . .
N6 N 0.1712(3) 1.0545(4) 0.25276(15) 0.0178(11) Uani 1 1 d . . .
N7 N 0.2316(3) 0.8617(4) 0.24618(15) 0.0186(11) Uani 1 1 d . . .
H7 H 0.1945 0.8098 0.2501 0.022 Uiso 1 1 calc R . .
N8 N 0.0256(3) 0.9382(3) 0.22267(15) 0.0151(10) Uani 1 1 d . . .
H8 H -0.0129 0.9793 0.2084 0.018 Uiso 1 1 calc R . .
C1 C 0.1603(5) 0.9641(6) -0.0821(2) 0.0369(18) Uani 1 1 d . . .
H1A H 0.1968 0.9923 -0.1036 0.055 Uiso 1 1 calc R . .
H1B H 0.1105 1.0067 -0.0754 0.055 Uiso 1 1 calc R . .
H1C H 0.1351 0.9041 -0.0920 0.055 Uiso 1 1 calc R . .
C2 C 0.2868(4) 0.8820(5) -0.04887(18) 0.0190(12) Uani 1 1 d . . .
C3 C 0.3130(4) 0.8382(5) -0.08612(19) 0.0232(14) Uani 1 1 d . . .
H3A H 0.2826 0.8540 -0.1113 0.028 Uiso 1 1 calc R . .
C4 C 0.3838(5) 0.7715(5) -0.0858(2) 0.0251(15) Uani 1 1 d . . .
H4A H 0.4012 0.7430 -0.1108 0.030 Uiso 1 1 calc R . .
C5 C 0.4290(5) 0.7469(5) -0.0484(2) 0.0246(14) Uani 1 1 d . . .
H5A H 0.4773 0.7027 -0.0487 0.029 Uiso 1 1 calc R . .
C6 C 0.4033(4) 0.7875(4) -0.01026(19) 0.0182(13) Uani 1 1 d . . .
C7 C 0.3327(4) 0.8568(4) -0.01110(18) 0.0144(12) Uani 1 1 d D . .
C8 C 0.4417(4) 0.7492(4) 0.03094(18) 0.0176(13) Uani 1 1 d . . .
H8A H 0.5044 0.7262 0.0272 0.021 Uiso 1 1 calc R . .
H8B H 0.4440 0.8004 0.0516 0.021 Uiso 1 1 calc R . .
C9 C 0.3982(5) 0.5779(5) 0.0243(2) 0.0244(14) Uani 1 1 d . . .
H9A H 0.4625 0.5583 0.0278 0.029 Uiso 1 1 calc R . .
H9B H 0.3845 0.5857 -0.0056 0.029 Uiso 1 1 calc R . .
C10 C 0.3347(4) 0.5018(5) 0.04248(19) 0.0218(13) Uani 1 1 d . . .
H10A H 0.2708 0.5159 0.0344 0.026 Uiso 1 1 calc R . .
H10B H 0.3502 0.4395 0.0311 0.026 Uiso 1 1 calc R . .
C11 C 0.4338(4) 0.4525(4) 0.10203(19) 0.0187(13) Uani 1 1 d . . .
H11A H 0.4761 0.4554 0.0789 0.022 Uiso 1 1 calc R . .
H11B H 0.4221 0.3854 0.1081 0.022 Uiso 1 1 calc R . .
C12 C 0.4793(4) 0.4989(4) 0.1404(2) 0.0194(13) Uani 1 1 d . . .
H12A H 0.4444 0.4842 0.1652 0.023 Uiso 1 1 calc R . .
H12B H 0.5419 0.4746 0.1445 0.023 Uiso 1 1 calc R . .
C13 C 0.2640(4) 0.4519(4) 0.10809(19) 0.0178(12) Uani 1 1 d . . .
H13A H 0.2705 0.3829 0.1057 0.021 Uiso 1 1 calc R . .
H13B H 0.2077 0.4707 0.0929 0.021 Uiso 1 1 calc R . .
C14 C 0.2564(4) 0.4792(4) 0.15444(19) 0.0167(12) Uani 1 1 d . . .
H14A H 0.1977 0.4563 0.1648 0.020 Uiso 1 1 calc R . .
H14B H 0.3059 0.4481 0.1707 0.020 Uiso 1 1 calc R . .
C15 C 0.5124(4) 0.6590(4) 0.17070(18) 0.0154(12) Uani 1 1 d . . .
H15A H 0.5663 0.6287 0.1840 0.018 Uiso 1 1 calc R . .
H15B H 0.4634 0.6610 0.1910 0.018 Uiso 1 1 calc R . .
C16 C 0.5364(4) 0.7592(4) 0.15738(18) 0.0149(12) Uani 1 1 d . . .
C17 C 0.6260(4) 0.7943(4) 0.16291(19) 0.0193(13) Uani 1 1 d . . .
H17 H 0.6710 0.7566 0.1764 0.023 Uiso 1 1 calc R . .
C18 C 0.6493(4) 0.8848(5) 0.14862(19) 0.0215(13) Uani 1 1 d . . .
H18 H 0.7094 0.9080 0.1528 0.026 Uiso 1 1 calc R . .
C19 C 0.5829(4) 0.9408(4) 0.12803(18) 0.0174(12) Uani 1 1 d . . .
H19 H 0.5982 1.0015 0.1183 0.021 Uiso 1 1 calc R . .
C20 C 0.4938(3) 0.9057(4) 0.12207(17) 0.0136(12) Uani 1 1 d . . .
C21 C 0.4683(4) 0.8149(4) 0.13681(17) 0.0133(11) Uani 1 1 d . . .
C22 C 0.4463(4) 1.0414(4) 0.0804(2) 0.0212(14) Uani 1 1 d . . .
H22A H 0.3918 1.0688 0.0673 0.032 Uiso 1 1 calc R . .
H22B H 0.4908 1.0272 0.0594 0.032 Uiso 1 1 calc R . .
H22C H 0.4727 1.0863 0.1003 0.032 Uiso 1 1 calc R . .
C23 C 0.1684(4) 0.6303(4) 0.16109(17) 0.0132(11) Uani 1 1 d . . .
H23A H 0.1745 0.6979 0.1679 0.016 Uiso 1 1 calc R . .
H23B H 0.1321 0.6001 0.1827 0.016 Uiso 1 1 calc R . .
C24 C 0.1191(3) 0.6193(4) 0.11892(17) 0.0142(11) Uani 1 1 d . . .
C25 C 0.0403(4) 0.5624(4) 0.1123(2) 0.0208(13) Uani 1 1 d . . .
H25 H 0.0123 0.5326 0.1348 0.025 Uiso 1 1 calc R . .
C26 C 0.0043(4) 0.5509(4) 0.0716(2) 0.0206(13) Uani 1 1 d . . .
H26 H -0.0495 0.5150 0.0672 0.025 Uiso 1 1 calc R . .
C27 C 0.0475(4) 0.5920(4) 0.03766(19) 0.0182(13) Uani 1 1 d . . .
H27 H 0.0239 0.5818 0.0105 0.022 Uiso 1 1 calc R . .
C28 C 0.1254(4) 0.6481(4) 0.04408(18) 0.0159(12) Uani 1 1 d . . .
C29 C 0.1599(4) 0.6653(4) 0.08513(18) 0.0134(12) Uani 1 1 d . . .
C30 C 0.1539(4) 0.6641(5) -0.02928(19) 0.0259(15) Uani 1 1 d . . .
H30A H 0.1973 0.6931 -0.0478 0.039 Uiso 1 1 calc R . .
H30B H 0.0923 0.6854 -0.0367 0.039 Uiso 1 1 calc R . .
H30C H 0.1571 0.5955 -0.0319 0.039 Uiso 1 1 calc R . .
C31 C 0.3136(4) 1.1519(5) -0.0251(2) 0.0298(16) Uani 1 1 d . . .
H31A H 0.2626 1.1614 -0.0447 0.045 Uiso 1 1 calc R . .
H31B H 0.3587 1.1106 -0.0374 0.045 Uiso 1 1 calc R . .
H31C H 0.3417 1.2127 -0.0184 0.045 Uiso 1 1 calc R . .
C32 C 0.2155(4) 1.1595(5) 0.03458(18) 0.0185(13) Uani 1 1 d . . .
C33 C 0.1842(4) 1.2507(4) 0.02428(19) 0.0201(13) Uani 1 1 d . . .
H33 H 0.2075 1.2827 0.0012 0.024 Uiso 1 1 calc R . .
C34 C 0.1175(4) 1.2941(4) 0.0489(2) 0.0233(14) Uani 1 1 d . . .
H34 H 0.0970 1.3558 0.0424 0.028 Uiso 1 1 calc R . .
C35 C 0.0816(4) 1.2458(4) 0.08277(19) 0.0200(13) Uani 1 1 d . . .
H35 H 0.0364 1.2752 0.0986 0.024 Uiso 1 1 calc R . .
C36 C 0.1122(4) 1.1534(4) 0.09361(19) 0.0166(12) Uani 1 1 d . . .
C37 C 0.1822(4) 1.1097(4) 0.07014(17) 0.0148(11) Uani 1 1 d . . .
C38 C 0.0733(4) 1.0972(4) 0.12923(18) 0.0190(13) Uani 1 1 d . . .
H38A H 0.0578 1.0332 0.1193 0.023 Uiso 1 1 calc R . .
H38B H 0.0162 1.1275 0.1378 0.023 Uiso 1 1 calc R . .
C39 C 0.1332(4) 1.1714(4) 0.19586(19) 0.0213(13) Uani 1 1 d . . .
H39A H 0.0695 1.1825 0.2036 0.026 Uiso 1 1 calc R . .
H39B H 0.1557 1.2288 0.1822 0.026 Uiso 1 1 calc R . .
C40 C 0.1928(4) 1.1497(5) 0.23493(19) 0.0220(14) Uani 1 1 d . . .
H40A H 0.2577 1.1517 0.2278 0.026 Uiso 1 1 calc R . .
H40B H 0.1826 1.1987 0.2560 0.026 Uiso 1 1 calc R . .
C41 C 0.0795(4) 1.0572(5) 0.27372(19) 0.0213(13) Uani 1 1 d . . .
H41A H 0.0431 1.1103 0.2624 0.026 Uiso 1 1 calc R . .
H41B H 0.0895 1.0682 0.3036 0.026 Uiso 1 1 calc R . .
C42 C 0.0255(4) 0.9643(5) 0.26724(18) 0.0213(14) Uani 1 1 d . . .
H42A H 0.0540 0.9136 0.2840 0.026 Uiso 1 1 calc R . .
H42B H -0.0378 0.9727 0.2762 0.026 Uiso 1 1 calc R . .
C43 C -0.0078(4) 0.8388(4) 0.21475(18) 0.0181(13) Uani 1 1 d . . .
H43A H -0.0651 0.8285 0.2294 0.022 Uiso 1 1 calc R . .
H43B H 0.0378 0.7935 0.2257 0.022 Uiso 1 1 calc R . .
C44 C -0.0244(4) 0.8214(4) 0.16827(18) 0.0128(11) Uani 1 1 d . . .
C45 C -0.1101(4) 0.7868(4) 0.15350(19) 0.0182(13) Uani 1 1 d . . .
H45 H -0.1561 0.7737 0.1726 0.022 Uiso 1 1 calc R . .
C46 C -0.1280(4) 0.7719(4) 0.11156(19) 0.0179(13) Uani 1 1 d . . .
H46 H -0.1844 0.7457 0.1025 0.021 Uiso 1 1 calc R . .
C47 C -0.0615(4) 0.7959(4) 0.08231(19) 0.0179(13) Uani 1 1 d . . .
H47 H -0.0736 0.7877 0.0537 0.022 Uiso 1 1 calc R . .
C48 C 0.0225(4) 0.8322(4) 0.09667(17) 0.0129(11) Uani 1 1 d . . .
C49 C 0.0452(3) 0.8408(4) 0.13959(17) 0.0118(11) Uani 1 1 d . . .
C50 C 0.0645(4) 0.8862(5) 0.02818(17) 0.0211(13) Uani 1 1 d . . .
H50A H 0.1161 0.9133 0.0138 0.032 Uiso 1 1 calc R . .
H50B H 0.0152 0.9324 0.0291 0.032 Uiso 1 1 calc R . .
H50C H 0.0430 0.8300 0.0134 0.032 Uiso 1 1 calc R . .
C51 C 0.2465(4) 1.0204(5) 0.28168(19) 0.0235(14) Uani 1 1 d . . .
H51A H 0.2408 1.0512 0.3088 0.028 Uiso 1 1 calc R . .
H51B H 0.3061 1.0383 0.2705 0.028 Uiso 1 1 calc R . .
C52 C 0.2432(4) 0.9118(5) 0.28735(18) 0.0239(15) Uani 1 1 d . . .
H52A H 0.3001 0.8903 0.3013 0.029 Uiso 1 1 calc R . .
H52B H 0.1919 0.8953 0.3051 0.029 Uiso 1 1 calc R . .
C53 C 0.3226(4) 0.8258(5) 0.23070(19) 0.0218(14) Uani 1 1 d . . .
H53A H 0.3502 0.7823 0.2513 0.026 Uiso 1 1 calc R . .
H53B H 0.3122 0.7906 0.2047 0.026 Uiso 1 1 calc R . .
C54 C 0.3875(4) 0.9071(5) 0.22335(19) 0.0213(14) Uani 1 1 d . . .
C55 C 0.4719(4) 0.9195(6) 0.2457(2) 0.0347(18) Uani 1 1 d . . .
H55 H 0.4921 0.8731 0.2649 0.042 Uiso 1 1 calc R . .
C56 C 0.5252(5) 1.0008(7) 0.2393(2) 0.043(2) Uani 1 1 d . . .
H56 H 0.5825 1.0068 0.2532 0.052 Uiso 1 1 calc R . .
C57 C 0.4941(5) 1.0732(6) 0.2126(2) 0.041(2) Uani 1 1 d . . .
H57 H 0.5290 1.1287 0.2096 0.050 Uiso 1 1 calc R . .
C58 C 0.4105(4) 1.0622(5) 0.1904(2) 0.0271(16) Uani 1 1 d . . .
C59 C 0.3605(4) 0.9750(4) 0.19403(18) 0.0161(12) Uani 1 1 d . . .
C60 C 0.4044(6) 1.2251(6) 0.1681(3) 0.061(3) Uani 1 1 d . . .
H60A H 0.3702 1.2662 0.1490 0.092 Uiso 1 1 calc R . .
H60B H 0.4690 1.2267 0.1615 0.092 Uiso 1 1 calc R . .
H60C H 0.3969 1.2470 0.1964 0.092 Uiso 1 1 calc R . .
Cl1 Cl 0.69942(11) 0.55247(12) 0.07956(5) 0.0298(4) Uani 1 1 d . . .
O13 O 0.6141(4) 0.5949(6) 0.0593(2) 0.081(2) Uani 1 1 d . . .
O14 O 0.7061(4) 0.5994(5) 0.11815(17) 0.0604(18) Uani 1 1 d . . .
O15 O 0.6764(6) 0.4571(4) 0.0827(2) 0.083(3) Uani 1 1 d . . .
O16 O 0.7694(3) 0.5723(4) 0.05126(16) 0.0367(12) Uani 1 1 d . . .
Cl2 Cl 0.19144(10) 0.61097(13) 0.28734(5) 0.0277(3) Uani 1 1 d . . .
O17 O 0.2576(4) 0.6664(5) 0.31109(19) 0.066(2) Uani 1 1 d . . .
O18 O 0.1209(3) 0.6725(4) 0.26953(17) 0.0425(13) Uani 1 1 d . . .
O19 O 0.1501(4) 0.5428(4) 0.31430(16) 0.0426(13) Uani 1 1 d . . .
O20 O 0.2373(5) 0.5678(5) 0.25464(17) 0.083(3) Uani 1 1 d D . .
O1W O 0.2792(7) 0.3623(5) 0.2478(3) 0.035(2) Uani 0.50 1 d PD . .
O2W O 0.1270(12) 0.833(2) 0.3677(5) 0.191(14) Uani 0.50 1 d P . .


_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 O8 2.193(4) . ?
Gd1 O9 2.327(3) . ?
Gd1 O5 2.334(4) . ?
Gd1 O11 2.342(4) . ?
Gd1 O3 2.370(4) . ?
Gd1 O4 2.594(4) . ?
Gd1 O10 2.603(4) . ?
Gd1 O2 2.654(4) . ?
Gd1 Ni2 3.5326(8) . ?
Ni1 O5 2.059(4) . ?
Ni1 N3 2.068(4) . ?
Ni1 O3 2.075(4) . ?
Ni1 N1 2.134(5) . ?
Ni1 N2 2.154(5) . ?
Ni1 N4 2.236(5) . ?
Ni2 O9 2.057(4) . ?
Ni2 O11 2.065(3) . ?
Ni2 N8 2.073(4) . ?
Ni2 N6 2.111(5) . ?
Ni2 N5 2.145(5) . ?
Ni2 N7 2.202(5) . ?
O1 C2 1.360(7) . ?
O1 C1 1.438(7) . ?
O2 C7 1.394(7) . ?
O2 H2 0.847(10) . ?
O3 C21 1.352(6) . ?
O4 C20 1.383(6) . ?
O4 C22 1.438(7) . ?
O5 C29 1.351(6) . ?
O6 C28 1.381(7) . ?
O6 C30 1.428(7) . ?
O7 C32 1.383(7) . ?
O7 C31 1.430(7) . ?
O8 C37 1.322(7) . ?
O9 C49 1.357(6) . ?
O10 C48 1.398(6) . ?
O10 C50 1.430(6) . ?
O11 C59 1.344(6) . ?
O12 C58 1.372(9) . ?
O12 C60 1.429(9) . ?
N1 C9 1.480(7) . ?
N1 C8 1.483(7) . ?
N1 H1 0.9100 . ?
N2 C13 1.485(7) . ?
N2 C10 1.486(7) . ?
N2 C11 1.488(7) . ?
N3 C12 1.461(7) . ?
N3 C15 1.478(7) . ?
N3 H3 0.9100 . ?
N4 C14 1.490(7) . ?
N4 C23 1.498(7) . ?
N4 H4 0.9100 . ?
N5 C39 1.477(7) . ?
N5 C38 1.500(7) . ?
N5 H5 0.9100 . ?
N6 C40 1.479(8) . ?
N6 C51 1.482(7) . ?
N6 C41 1.498(7) . ?
N7 C52 1.489(7) . ?
N7 C53 1.498(7) . ?
N7 H7 0.9100 . ?
N8 C42 1.463(7) . ?
N8 C43 1.485(8) . ?
N8 H8 0.9100 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.394(8) . ?
C2 C7 1.400(8) . ?
C3 C4 1.380(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.381(9) . ?
C4 H4A 0.9300 . ?
C5 C6 1.399(8) . ?
C5 H5A 0.9300 . ?
C6 C7 1.402(8) . ?
C6 C8 1.506(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.525(8) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.514(8) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.529(8) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.503(8) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.388(8) . ?
C16 C21 1.400(8) . ?
C17 C18 1.386(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.385(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.383(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.402(8) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.509(7) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C29 1.395(8) . ?
C24 C25 1.397(8) . ?
C25 C26 1.389(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.385(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.380(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.405(8) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.384(8) . ?
C32 C37 1.421(8) . ?
C33 C34 1.394(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.383(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.401(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.410(8) . ?
C36 C38 1.499(8) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.522(9) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.521(9) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.510(8) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.396(8) . ?
C44 C49 1.401(7) . ?
C45 C46 1.367(8) . ?
C45 H45 0.9300 . ?
C46 C47 1.395(8) . ?
C46 H46 0.9300 . ?
C47 C48 1.378(8) . ?
C47 H47 0.9300 . ?
C48 C49 1.400(8) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C52 1.525(9) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.491(9) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C59 1.378(9) . ?
C54 C55 1.403(8) . ?
C55 C56 1.387(11) . ?
C55 H55 0.9300 . ?
C56 C57 1.385(12) . ?
C56 H56 0.9300 . ?
C57 C58 1.388(9) . ?
C57 H57 0.9300 . ?
C58 C59 1.419(9) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
Cl1 O15 1.375(6) . ?
Cl1 O14 1.392(5) . ?
Cl1 O16 1.397(5) . ?
Cl1 O13 1.496(6) . ?
Cl2 O20 1.385(6) . ?
Cl2 O19 1.421(5) . ?
Cl2 O17 1.427(6) . ?
Cl2 O18 1.435(5) . ?

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
O8 Gd1 O9 96.47(13) . . ?
O8 Gd1 O5 139.77(14) . . ?
O9 Gd1 O5 86.40(12) . . ?
O8 Gd1 O11 87.09(14) . . ?
O9 Gd1 O11 67.32(12) . . ?
O5 Gd1 O11 129.82(13) . . ?
O8 Gd1 O3 146.23(13) . . ?
O9 Gd1 O3 109.18(12) . . ?
O5 Gd1 O3 65.59(12) . . ?
O11 Gd1 O3 83.14(13) . . ?
O8 Gd1 O4 82.99(13) . . ?
O9 Gd1 O4 142.09(12) . . ?
O5 Gd1 O4 118.09(12) . . ?
O11 Gd1 O4 74.80(12) . . ?
O3 Gd1 O4 63.26(12) . . ?
O8 Gd1 O10 73.68(13) . . ?
O9 Gd1 O10 64.09(12) . . ?
O5 Gd1 O10 71.70(12) . . ?
O11 Gd1 O10 124.55(12) . . ?
O3 Gd1 O10 137.18(12) . . ?
O4 Gd1 O10 147.84(12) . . ?
O8 Gd1 O2 69.49(14) . . ?
O9 Gd1 O2 145.26(12) . . ?
O5 Gd1 O2 85.50(13) . . ?
O11 Gd1 O2 139.28(13) . . ?
O3 Gd1 O2 97.96(12) . . ?
O4 Gd1 O2 69.78(12) . . ?
O10 Gd1 O2 81.30(12) . . ?
O8 Gd1 Ni2 87.52(10) . . ?
O9 Gd1 Ni2 33.79(9) . . ?
O5 Gd1 Ni2 113.61(9) . . ?
O11 Gd1 Ni2 34.10(8) . . ?
O3 Gd1 Ni2 101.55(9) . . ?
O4 Gd1 Ni2 108.69(9) . . ?
O10 Gd1 Ni2 92.38(8) . . ?
O2 Gd1 Ni2 157.02(9) . . ?
O5 Ni1 N3 166.33(17) . . ?
O5 Ni1 O3 76.13(14) . . ?
N3 Ni1 O3 90.29(16) . . ?
O5 Ni1 N1 80.26(16) . . ?
N3 Ni1 N1 99.91(18) . . ?
O3 Ni1 N1 95.84(16) . . ?
O5 Ni1 N2 110.73(16) . . ?
N3 Ni1 N2 82.70(18) . . ?
O3 Ni1 N2 171.84(16) . . ?
N1 Ni1 N2 81.35(18) . . ?
O5 Ni1 N4 85.09(15) . . ?
N3 Ni1 N4 100.06(17) . . ?
O3 Ni1 N4 104.44(16) . . ?
N1 Ni1 N4 151.32(18) . . ?
N2 Ni1 N4 81.00(17) . . ?
O9 Ni2 O11 77.80(14) . . ?
O9 Ni2 N8 90.81(16) . . ?
O11 Ni2 N8 168.56(17) . . ?
O9 Ni2 N6 173.84(16) . . ?
O11 Ni2 N6 107.26(17) . . ?
N8 Ni2 N6 84.04(18) . . ?
O9 Ni2 N5 95.16(16) . . ?
O11 Ni2 N5 80.85(16) . . ?
N8 Ni2 N5 99.30(18) . . ?
N6 Ni2 N5 82.38(19) . . ?
O9 Ni2 N7 101.97(17) . . ?
O11 Ni2 N7 85.66(16) . . ?
N8 Ni2 N7 97.95(19) . . ?
N6 Ni2 N7 82.15(19) . . ?
N5 Ni2 N7 155.43(18) . . ?
O9 Ni2 Gd1 39.00(10) . . ?
O11 Ni2 Gd1 39.50(10) . . ?
N8 Ni2 Gd1 129.08(13) . . ?
N6 Ni2 Gd1 145.26(13) . . ?
N5 Ni2 Gd1 81.95(12) . . ?
N7 Ni2 Gd1 100.44(12) . . ?
C2 O1 C1 116.3(5) . . ?
C7 O2 Gd1 151.6(3) . . ?
C7 O2 H2 109(2) . . ?
Gd1 O2 H2 99(2) . . ?
C21 O3 Ni1 120.2(3) . . ?
C21 O3 Gd1 124.7(3) . . ?
Ni1 O3 Gd1 108.02(15) . . ?
C20 O4 C22 116.4(4) . . ?
C20 O4 Gd1 118.0(3) . . ?
C22 O4 Gd1 125.6(3) . . ?
C29 O5 Ni1 113.9(3) . . ?
C29 O5 Gd1 133.4(3) . . ?
Ni1 O5 Gd1 109.92(15) . . ?
C28 O6 C30 116.6(4) . . ?
C32 O7 C31 117.1(5) . . ?
C37 O8 Gd1 170.0(4) . . ?
C49 O9 Ni2 122.7(3) . . ?
C49 O9 Gd1 125.2(3) . . ?
Ni2 O9 Gd1 107.21(15) . . ?
C48 O10 C50 115.9(4) . . ?
C48 O10 Gd1 115.6(3) . . ?
C50 O10 Gd1 127.8(3) . . ?
C59 O11 Ni2 117.0(3) . . ?
C59 O11 Gd1 131.5(3) . . ?
Ni2 O11 Gd1 106.40(15) . . ?
C58 O12 C60 116.4(6) . . ?
C9 N1 C8 113.3(4) . . ?
C9 N1 Ni1 111.0(3) . . ?
C8 N1 Ni1 124.8(4) . . ?
C9 N1 H1 101.1 . . ?
C8 N1 H1 101.1 . . ?
Ni1 N1 H1 101.1 . . ?
C13 N2 C10 111.0(5) . . ?
C13 N2 C11 111.7(4) . . ?
C10 N2 C11 110.3(4) . . ?
C13 N2 Ni1 109.0(3) . . ?
C10 N2 Ni1 107.6(4) . . ?
C11 N2 Ni1 107.1(3) . . ?
C12 N3 C15 114.5(5) . . ?
C12 N3 Ni1 108.5(3) . . ?
C15 N3 Ni1 112.0(3) . . ?
C12 N3 H3 107.2 . . ?
C15 N3 H3 107.2 . . ?
Ni1 N3 H3 107.2 . . ?
C14 N4 C23 111.5(4) . . ?
C14 N4 Ni1 108.5(3) . . ?
C23 N4 Ni1 113.0(3) . . ?
C14 N4 H4 107.9 . . ?
C23 N4 H4 107.9 . . ?
Ni1 N4 H4 107.9 . . ?
C39 N5 C38 113.6(4) . . ?
C39 N5 Ni2 110.3(3) . . ?
C38 N5 Ni2 123.5(4) . . ?
C39 N5 H5 101.9 . . ?
C38 N5 H5 101.9 . . ?
Ni2 N5 H5 101.9 . . ?
C40 N6 C51 111.6(5) . . ?
C40 N6 C41 110.2(5) . . ?
C51 N6 C41 111.9(5) . . ?
C40 N6 Ni2 106.7(3) . . ?
C51 N6 Ni2 108.6(4) . . ?
C41 N6 Ni2 107.6(4) . . ?
C52 N7 C53 111.5(5) . . ?
C52 N7 Ni2 108.6(4) . . ?
C53 N7 Ni2 113.5(3) . . ?
C52 N7 H7 107.7 . . ?
C53 N7 H7 107.7 . . ?
Ni2 N7 H7 107.7 . . ?
C42 N8 C43 112.8(5) . . ?
C42 N8 Ni2 107.7(3) . . ?
C43 N8 Ni2 111.8(3) . . ?
C42 N8 H8 108.1 . . ?
C43 N8 H8 108.1 . . ?
Ni2 N8 H8 108.1 . . ?
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 . . ?
O1 C2 C3 125.8(5) . . ?
O1 C2 C7 115.1(5) . . ?
C3 C2 C7 119.1(6) . . ?
C4 C3 C2 120.4(6) . . ?
C4 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C3 C4 C5 120.3(6) . . ?
C3 C4 H4A 119.8 . . ?
C5 C4 H4A 119.8 . . ?
C4 C5 C6 121.1(6) . . ?
C4 C5 H5A 119.5 . . ?
C6 C5 H5A 119.5 . . ?
C5 C6 C7 118.1(6) . . ?
C5 C6 C8 120.8(6) . . ?
C7 C6 C8 120.7(5) . . ?
O2 C7 C2 119.5(5) . . ?
O2 C7 C6 119.5(5) . . ?
C2 C7 C6 121.0(5) . . ?
N1 C8 C6 110.8(5) . . ?
N1 C8 H8A 109.5 . . ?
C6 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
N1 C9 C10 108.9(5) . . ?
N1 C9 H9A 109.9 . . ?
C10 C9 H9A 109.9 . . ?
N1 C9 H9B 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
N2 C10 C9 110.4(5) . . ?
N2 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
N2 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
N2 C11 C12 112.7(5) . . ?
N2 C11 H11A 109.1 . . ?
C12 C11 H11A 109.1 . . ?
N2 C11 H11B 109.1 . . ?
C12 C11 H11B 109.1 . . ?
H11A C11 H11B 107.8 . . ?
N3 C12 C11 108.3(5) . . ?
N3 C12 H12A 110.0 . . ?
C11 C12 H12A 110.0 . . ?
N3 C12 H12B 110.0 . . ?
C11 C12 H12B 110.0 . . ?
H12A C12 H12B 108.4 . . ?
N2 C13 C14 111.0(5) . . ?
N2 C13 H13A 109.4 . . ?
C14 C13 H13A 109.4 . . ?
N2 C13 H13B 109.4 . . ?
C14 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
N4 C14 C13 111.5(5) . . ?
N4 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
N4 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
N3 C15 C16 109.6(5) . . ?
N3 C15 H15A 109.7 . . ?
C16 C15 H15A 109.7 . . ?
N3 C15 H15B 109.7 . . ?
C16 C15 H15B 109.7 . . ?
H15A C15 H15B 108.2 . . ?
C17 C16 C21 120.2(5) . . ?
C17 C16 C15 120.8(5) . . ?
C21 C16 C15 118.9(5) . . ?
C18 C17 C16 120.8(5) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C19 C18 C17 119.8(5) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C20 C19 C18 119.6(6) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
O4 C20 C19 124.8(5) . . ?
O4 C20 C21 113.6(4) . . ?
C19 C20 C21 121.6(5) . . ?
O3 C21 C16 123.1(5) . . ?
O3 C21 C20 118.9(5) . . ?
C16 C21 C20 118.0(5) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C24 110.7(4) . . ?
N4 C23 H23A 109.5 . . ?
C24 C23 H23A 109.5 . . ?
N4 C23 H23B 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C29 C24 C25 120.2(5) . . ?
C29 C24 C23 116.1(5) . . ?
C25 C24 C23 123.6(5) . . ?
C26 C25 C24 119.3(6) . . ?
C26 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C27 C26 C25 120.9(5) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C28 C27 C26 120.0(5) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C28 O6 125.9(5) . . ?
C27 C28 C29 120.0(5) . . ?
O6 C28 C29 114.1(5) . . ?
O5 C29 C24 119.7(5) . . ?
O5 C29 C28 120.7(5) . . ?
C24 C29 C28 119.4(5) . . ?
O6 C30 H30A 109.5 . . ?
O6 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O6 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O7 C31 H31A 109.5 . . ?
O7 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O7 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 O7 124.8(5) . . ?
C33 C32 C37 121.5(6) . . ?
O7 C32 C37 113.8(5) . . ?
C32 C33 C34 119.4(6) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C35 C34 C33 120.3(6) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 121.1(6) . . ?
C34 C35 H35 119.4 . . ?
C36 C35 H35 119.4 . . ?
C35 C36 C37 119.5(6) . . ?
C35 C36 C38 123.0(5) . . ?
C37 C36 C38 117.5(5) . . ?
O8 C37 C36 121.7(5) . . ?
O8 C37 C32 120.1(5) . . ?
C36 C37 C32 118.1(5) . . ?
C36 C38 N5 114.0(5) . . ?
C36 C38 H38A 108.8 . . ?
N5 C38 H38A 108.8 . . ?
C36 C38 H38B 108.8 . . ?
N5 C38 H38B 108.8 . . ?
H38A C38 H38B 107.7 . . ?
N5 C39 C40 108.7(5) . . ?
N5 C39 H39A 109.9 . . ?
C40 C39 H39A 109.9 . . ?
N5 C39 H39B 109.9 . . ?
C40 C39 H39B 109.9 . . ?
H39A C39 H39B 108.3 . . ?
N6 C40 C39 111.8(5) . . ?
N6 C40 H40A 109.3 . . ?
C39 C40 H40A 109.3 . . ?
N6 C40 H40B 109.3 . . ?
C39 C40 H40B 109.3 . . ?
H40A C40 H40B 107.9 . . ?
N6 C41 C42 111.9(5) . . ?
N6 C41 H41A 109.2 . . ?
C42 C41 H41A 109.2 . . ?
N6 C41 H41B 109.2 . . ?
C42 C41 H41B 109.2 . . ?
H41A C41 H41B 107.9 . . ?
N8 C42 C41 109.2(5) . . ?
N8 C42 H42A 109.8 . . ?
C41 C42 H42A 109.8 . . ?
N8 C42 H42B 109.8 . . ?
C41 C42 H42B 109.8 . . ?
H42A C42 H42B 108.3 . . ?
N8 C43 C44 111.0(5) . . ?
N8 C43 H43A 109.4 . . ?
C44 C43 H43A 109.4 . . ?
N8 C43 H43B 109.4 . . ?
C44 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C45 C44 C49 119.4(5) . . ?
C45 C44 C43 120.0(5) . . ?
C49 C44 C43 120.6(5) . . ?
C46 C45 C44 121.5(5) . . ?
C46 C45 H45 119.2 . . ?
C44 C45 H45 119.2 . . ?
C45 C46 C47 119.9(5) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
C48 C47 C46 118.7(6) . . ?
C48 C47 H47 120.6 . . ?
C46 C47 H47 120.6 . . ?
C47 C48 O10 123.5(5) . . ?
C47 C48 C49 122.3(5) . . ?
O10 C48 C49 114.2(4) . . ?
O9 C49 C48 118.7(5) . . ?
O9 C49 C44 123.6(5) . . ?
C48 C49 C44 117.7(5) . . ?
O10 C50 H50A 109.5 . . ?
O10 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
O10 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N6 C51 C52 111.5(5) . . ?
N6 C51 H51A 109.3 . . ?
C52 C51 H51A 109.3 . . ?
N6 C51 H51B 109.3 . . ?
C52 C51 H51B 109.3 . . ?
H51A C51 H51B 108.0 . . ?
N7 C52 C51 111.4(5) . . ?
N7 C52 H52A 109.3 . . ?
C51 C52 H52A 109.3 . . ?
N7 C52 H52B 109.3 . . ?
C51 C52 H52B 109.3 . . ?
H52A C52 H52B 108.0 . . ?
C54 C53 N7 110.9(5) . . ?
C54 C53 H53A 109.5 . . ?
N7 C53 H53A 109.5 . . ?
C54 C53 H53B 109.5 . . ?
N7 C53 H53B 109.5 . . ?
H53A C53 H53B 108.0 . . ?
C59 C54 C55 118.9(6) . . ?
C59 C54 C53 117.4(5) . . ?
C55 C54 C53 123.6(6) . . ?
C56 C55 C54 120.2(7) . . ?
C56 C55 H55 119.9 . . ?
C54 C55 H55 119.9 . . ?
C57 C56 C55 120.9(6) . . ?
C57 C56 H56 119.6 . . ?
C55 C56 H56 119.6 . . ?
C56 C57 C58 119.6(7) . . ?
C56 C57 H57 120.2 . . ?
C58 C57 H57 120.2 . . ?
O12 C58 C57 125.5(7) . . ?
O12 C58 C59 115.1(5) . . ?
C57 C58 C59 119.3(7) . . ?
O11 C59 C54 120.4(5) . . ?
O11 C59 C58 118.9(6) . . ?
C54 C59 C58 120.5(5) . . ?
O12 C60 H60A 109.5 . . ?
O12 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
O12 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O15 Cl1 O14 113.6(4) . . ?
O15 Cl1 O16 114.8(4) . . ?
O14 Cl1 O16 116.2(3) . . ?
O15 Cl1 O13 102.5(5) . . ?
O14 Cl1 O13 103.3(4) . . ?
O16 Cl1 O13 104.1(3) . . ?
O20 Cl2 O19 112.3(4) . . ?
O20 Cl2 O17 107.9(5) . . ?
O19 Cl2 O17 109.1(3) . . ?
O20 Cl2 O18 108.1(3) . . ?
O19 Cl2 O18 109.4(3) . . ?
O17 Cl2 O18 110.0(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O8 Gd1 Ni2 O9 105.51(19) . . . . ?
O5 Gd1 Ni2 O9 -39.08(19) . . . . ?
O11 Gd1 Ni2 O9 -166.0(2) . . . . ?
O3 Gd1 Ni2 O9 -107.31(18) . . . . ?
O4 Gd1 Ni2 O9 -172.74(18) . . . . ?
O10 Gd1 Ni2 O9 31.96(18) . . . . ?
O2 Gd1 Ni2 O9 105.1(3) . . . . ?
O8 Gd1 Ni2 O11 -88.5(2) . . . . ?
O9 Gd1 Ni2 O11 166.0(2) . . . . ?
O5 Gd1 Ni2 O11 126.95(19) . . . . ?
O3 Gd1 Ni2 O11 58.72(19) . . . . ?
O4 Gd1 Ni2 O11 -6.71(19) . . . . ?
O10 Gd1 Ni2 O11 -162.01(19) . . . . ?
O2 Gd1 Ni2 O11 -88.8(3) . . . . ?
O8 Gd1 Ni2 N8 92.4(2) . . . . ?
O9 Gd1 Ni2 N8 -13.1(2) . . . . ?
O5 Gd1 Ni2 N8 -52.2(2) . . . . ?
O11 Gd1 Ni2 N8 -179.2(2) . . . . ?
O3 Gd1 Ni2 N8 -120.4(2) . . . . ?
O4 Gd1 Ni2 N8 174.1(2) . . . . ?
O10 Gd1 Ni2 N8 18.8(2) . . . . ?
O2 Gd1 Ni2 N8 92.0(3) . . . . ?
O8 Gd1 Ni2 N6 -67.1(3) . . . . ?
O9 Gd1 Ni2 N6 -172.6(3) . . . . ?
O5 Gd1 Ni2 N6 148.4(3) . . . . ?
O11 Gd1 Ni2 N6 21.4(3) . . . . ?
O3 Gd1 Ni2 N6 80.1(3) . . . . ?
O4 Gd1 Ni2 N6 14.7(3) . . . . ?
O10 Gd1 Ni2 N6 -140.6(3) . . . . ?
O2 Gd1 Ni2 N6 -67.4(3) . . . . ?
O8 Gd1 Ni2 N5 -3.10(16) . . . . ?
O9 Gd1 Ni2 N5 -108.6(2) . . . . ?
O5 Gd1 Ni2 N5 -147.69(15) . . . . ?
O11 Gd1 Ni2 N5 85.4(2) . . . . ?
O3 Gd1 Ni2 N5 144.09(15) . . . . ?
O4 Gd1 Ni2 N5 78.65(15) . . . . ?
O10 Gd1 Ni2 N5 -76.64(15) . . . . ?
O2 Gd1 Ni2 N5 -3.5(3) . . . . ?
O8 Gd1 Ni2 N7 -158.32(17) . . . . ?
O9 Gd1 Ni2 N7 96.2(2) . . . . ?
O5 Gd1 Ni2 N7 57.09(16) . . . . ?
O11 Gd1 Ni2 N7 -69.9(2) . . . . ?
O3 Gd1 Ni2 N7 -11.13(16) . . . . ?
O4 Gd1 Ni2 N7 -76.57(16) . . . . ?
O10 Gd1 Ni2 N7 128.14(16) . . . . ?
O2 Gd1 Ni2 N7 -158.7(3) . . . . ?
O8 Gd1 O2 C7 -163.7(7) . . . . ?
O9 Gd1 O2 C7 -92.8(7) . . . . ?
O5 Gd1 O2 C7 -15.8(7) . . . . ?
O11 Gd1 O2 C7 137.5(7) . . . . ?
O3 Gd1 O2 C7 48.8(7) . . . . ?
O4 Gd1 O2 C7 106.4(7) . . . . ?
O10 Gd1 O2 C7 -87.9(7) . . . . ?
Ni2 Gd1 O2 C7 -163.2(6) . . . . ?
O5 Ni1 O3 C21 -156.4(4) . . . . ?
N3 Ni1 O3 C21 22.0(4) . . . . ?
N1 Ni1 O3 C21 -77.9(4) . . . . ?
N2 Ni1 O3 C21 -8.6(14) . . . . ?
N4 Ni1 O3 C21 122.5(4) . . . . ?
O5 Ni1 O3 Gd1 -4.60(15) . . . . ?
N3 Ni1 O3 Gd1 173.83(18) . . . . ?
N1 Ni1 O3 Gd1 73.84(18) . . . . ?
N2 Ni1 O3 Gd1 143.2(11) . . . . ?
N4 Ni1 O3 Gd1 -85.71(18) . . . . ?
O8 Gd1 O3 C21 8.5(5) . . . . ?
O9 Gd1 O3 C21 -128.8(4) . . . . ?
O5 Gd1 O3 C21 154.5(4) . . . . ?
O11 Gd1 O3 C21 -65.8(4) . . . . ?
O4 Gd1 O3 C21 10.6(4) . . . . ?
O10 Gd1 O3 C21 158.9(3) . . . . ?
O2 Gd1 O3 C21 73.2(4) . . . . ?
Ni2 Gd1 O3 C21 -94.6(4) . . . . ?
O8 Gd1 O3 Ni1 -141.7(2) . . . . ?
O9 Gd1 O3 Ni1 80.97(17) . . . . ?
O5 Gd1 O3 Ni1 4.32(14) . . . . ?
O11 Gd1 O3 Ni1 144.04(17) . . . . ?
O4 Gd1 O3 Ni1 -139.55(19) . . . . ?
O10 Gd1 O3 Ni1 8.8(3) . . . . ?
O2 Gd1 O3 Ni1 -77.02(16) . . . . ?
Ni2 Gd1 O3 Ni1 115.18(13) . . . . ?
O8 Gd1 O4 C20 168.4(4) . . . . ?
O9 Gd1 O4 C20 76.9(4) . . . . ?
O5 Gd1 O4 C20 -47.9(4) . . . . ?
O11 Gd1 O4 C20 79.5(4) . . . . ?
O3 Gd1 O4 C20 -10.4(3) . . . . ?
O10 Gd1 O4 C20 -148.2(3) . . . . ?
O2 Gd1 O4 C20 -120.9(4) . . . . ?
Ni2 Gd1 O4 C20 83.4(3) . . . . ?
O8 Gd1 O4 C22 -11.1(4) . . . . ?
O9 Gd1 O4 C22 -102.7(4) . . . . ?
O5 Gd1 O4 C22 132.6(4) . . . . ?
O11 Gd1 O4 C22 -100.0(4) . . . . ?
O3 Gd1 O4 C22 170.1(4) . . . . ?
O10 Gd1 O4 C22 32.2(5) . . . . ?
O2 Gd1 O4 C22 59.5(4) . . . . ?
Ni2 Gd1 O4 C22 -96.1(4) . . . . ?
N3 Ni1 O5 C29 -165.8(7) . . . . ?
O3 Ni1 O5 C29 -159.1(4) . . . . ?
N1 Ni1 O5 C29 102.3(4) . . . . ?
N2 Ni1 O5 C29 25.5(4) . . . . ?
N4 Ni1 O5 C29 -52.9(4) . . . . ?
N3 Ni1 O5 Gd1 -1.9(8) . . . . ?
O3 Ni1 O5 Gd1 4.72(15) . . . . ?
N1 Ni1 O5 Gd1 -93.83(18) . . . . ?
N2 Ni1 O5 Gd1 -170.64(17) . . . . ?
N4 Ni1 O5 Gd1 110.92(18) . . . . ?
O8 Gd1 O5 C29 -53.6(5) . . . . ?
O9 Gd1 O5 C29 42.2(5) . . . . ?
O11 Gd1 O5 C29 98.4(5) . . . . ?
O3 Gd1 O5 C29 155.1(5) . . . . ?
O4 Gd1 O5 C29 -168.2(4) . . . . ?
O10 Gd1 O5 C29 -21.7(4) . . . . ?
O2 Gd1 O5 C29 -104.0(5) . . . . ?
Ni2 Gd1 O5 C29 62.7(5) . . . . ?
O8 Gd1 O5 Ni1 146.88(17) . . . . ?
O9 Gd1 O5 Ni1 -117.36(17) . . . . ?
O11 Gd1 O5 Ni1 -61.1(2) . . . . ?
O3 Gd1 O5 Ni1 -4.41(14) . . . . ?
O4 Gd1 O5 Ni1 32.2(2) . . . . ?
O10 Gd1 O5 Ni1 178.77(19) . . . . ?
O2 Gd1 O5 Ni1 96.45(16) . . . . ?
Ni2 Gd1 O5 Ni1 -96.79(14) . . . . ?
O9 Gd1 O8 C37 18(2) . . . . ?
O5 Gd1 O8 C37 110(2) . . . . ?
O11 Gd1 O8 C37 -49(2) . . . . ?
O3 Gd1 O8 C37 -122(2) . . . . ?
O4 Gd1 O8 C37 -124(2) . . . . ?
O10 Gd1 O8 C37 78(2) . . . . ?
O2 Gd1 O8 C37 165(2) . . . . ?
Ni2 Gd1 O8 C37 -15(2) . . . . ?
O11 Ni2 O9 C49 -165.4(4) . . . . ?
N8 Ni2 O9 C49 13.5(4) . . . . ?
N6 Ni2 O9 C49 -19.8(18) . . . . ?
N5 Ni2 O9 C49 -85.9(4) . . . . ?
N7 Ni2 O9 C49 111.8(4) . . . . ?
Gd1 Ni2 O9 C49 -156.4(5) . . . . ?
O11 Ni2 O9 Gd1 -9.04(15) . . . . ?
N8 Ni2 O9 Gd1 169.84(18) . . . . ?
N6 Ni2 O9 Gd1 136.6(16) . . . . ?
N5 Ni2 O9 Gd1 70.43(17) . . . . ?
N7 Ni2 O9 Gd1 -91.86(18) . . . . ?
O8 Gd1 O9 C49 79.9(4) . . . . ?
O5 Gd1 O9 C49 -59.8(4) . . . . ?
O11 Gd1 O9 C49 164.0(4) . . . . ?
O3 Gd1 O9 C49 -122.4(4) . . . . ?
O4 Gd1 O9 C49 166.8(3) . . . . ?
O10 Gd1 O9 C49 11.6(4) . . . . ?
O2 Gd1 O9 C49 17.0(5) . . . . ?
Ni2 Gd1 O9 C49 155.6(5) . . . . ?
O8 Gd1 O9 Ni2 -75.66(17) . . . . ?
O5 Gd1 O9 Ni2 144.63(16) . . . . ?
O11 Gd1 O9 Ni2 8.44(14) . . . . ?
O3 Gd1 O9 Ni2 82.04(17) . . . . ?
O4 Gd1 O9 Ni2 11.2(3) . . . . ?
O10 Gd1 O9 Ni2 -144.0(2) . . . . ?
O2 Gd1 O9 Ni2 -138.59(18) . . . . ?
O8 Gd1 O10 C48 -118.5(4) . . . . ?
O9 Gd1 O10 C48 -12.7(3) . . . . ?
O5 Gd1 O10 C48 82.3(3) . . . . ?
O11 Gd1 O10 C48 -44.0(4) . . . . ?
O3 Gd1 O10 C48 78.0(4) . . . . ?
O4 Gd1 O10 C48 -163.8(3) . . . . ?
O2 Gd1 O10 C48 170.4(4) . . . . ?
Ni2 Gd1 O10 C48 -31.8(3) . . . . ?
O8 Gd1 O10 C50 51.9(4) . . . . ?
O9 Gd1 O10 C50 157.7(5) . . . . ?
O5 Gd1 O10 C50 -107.3(5) . . . . ?
O11 Gd1 O10 C50 126.4(4) . . . . ?
O3 Gd1 O10 C50 -111.6(4) . . . . ?
O4 Gd1 O10 C50 6.6(6) . . . . ?
O2 Gd1 O10 C50 -19.2(4) . . . . ?
Ni2 Gd1 O10 C50 138.6(4) . . . . ?
O9 Ni2 O11 C59 -148.8(4) . . . . ?
N8 Ni2 O11 C59 -154.4(8) . . . . ?
N6 Ni2 O11 C59 34.9(4) . . . . ?
N5 Ni2 O11 C59 113.9(4) . . . . ?
N7 Ni2 O11 C59 -45.5(4) . . . . ?
Gd1 Ni2 O11 C59 -157.7(5) . . . . ?
O9 Ni2 O11 Gd1 8.94(15) . . . . ?
N8 Ni2 O11 Gd1 3.3(10) . . . . ?
N6 Ni2 O11 Gd1 -167.42(18) . . . . ?
N5 Ni2 O11 Gd1 -88.41(18) . . . . ?
N7 Ni2 O11 Gd1 112.19(19) . . . . ?
O8 Gd1 O11 C59 -116.9(5) . . . . ?
O9 Gd1 O11 C59 144.8(5) . . . . ?
O5 Gd1 O11 C59 80.7(5) . . . . ?
O3 Gd1 O11 C59 30.7(5) . . . . ?
O4 Gd1 O11 C59 -33.4(5) . . . . ?
O10 Gd1 O11 C59 175.2(4) . . . . ?
O2 Gd1 O11 C59 -63.6(5) . . . . ?
Ni2 Gd1 O11 C59 153.2(6) . . . . ?
O8 Gd1 O11 Ni2 89.89(17) . . . . ?
O9 Gd1 O11 Ni2 -8.37(14) . . . . ?
O5 Gd1 O11 Ni2 -72.5(2) . . . . ?
O3 Gd1 O11 Ni2 -122.50(17) . . . . ?
O4 Gd1 O11 Ni2 173.41(19) . . . . ?
O10 Gd1 O11 Ni2 22.0(2) . . . . ?
O2 Gd1 O11 Ni2 143.25(15) . . . . ?
O5 Ni1 N1 C9 -122.2(4) . . . . ?
N3 Ni1 N1 C9 71.6(4) . . . . ?
O3 Ni1 N1 C9 163.0(4) . . . . ?
N2 Ni1 N1 C9 -9.3(4) . . . . ?
N4 Ni1 N1 C9 -61.9(6) . . . . ?
O5 Ni1 N1 C8 96.3(4) . . . . ?
N3 Ni1 N1 C8 -69.8(4) . . . . ?
O3 Ni1 N1 C8 21.5(4) . . . . ?
N2 Ni1 N1 C8 -150.8(4) . . . . ?
N4 Ni1 N1 C8 156.6(4) . . . . ?
O5 Ni1 N2 C13 -62.0(4) . . . . ?
N3 Ni1 N2 C13 120.6(4) . . . . ?
O3 Ni1 N2 C13 151.6(11) . . . . ?
N1 Ni1 N2 C13 -138.1(4) . . . . ?
N4 Ni1 N2 C13 19.2(4) . . . . ?
O5 Ni1 N2 C10 58.4(4) . . . . ?
N3 Ni1 N2 C10 -118.9(4) . . . . ?
O3 Ni1 N2 C10 -88.0(12) . . . . ?
N1 Ni1 N2 C10 -17.7(4) . . . . ?
N4 Ni1 N2 C10 139.6(4) . . . . ?
O5 Ni1 N2 C11 177.0(3) . . . . ?
N3 Ni1 N2 C11 -0.4(3) . . . . ?
O3 Ni1 N2 C11 30.5(14) . . . . ?
N1 Ni1 N2 C11 100.9(4) . . . . ?
N4 Ni1 N2 C11 -101.8(4) . . . . ?
O5 Ni1 N3 C12 165.1(6) . . . . ?
O3 Ni1 N3 C12 158.7(4) . . . . ?
N1 Ni1 N3 C12 -105.4(4) . . . . ?
N2 Ni1 N3 C12 -25.5(4) . . . . ?
N4 Ni1 N3 C12 53.9(4) . . . . ?
O5 Ni1 N3 C15 37.8(9) . . . . ?
O3 Ni1 N3 C15 31.3(4) . . . . ?
N1 Ni1 N3 C15 127.3(4) . . . . ?
N2 Ni1 N3 C15 -152.9(4) . . . . ?
N4 Ni1 N3 C15 -73.4(4) . . . . ?
O5 Ni1 N4 C14 118.2(4) . . . . ?
N3 Ni1 N4 C14 -74.6(4) . . . . ?
O3 Ni1 N4 C14 -167.5(3) . . . . ?
N1 Ni1 N4 C14 58.9(5) . . . . ?
N2 Ni1 N4 C14 6.3(3) . . . . ?
O5 Ni1 N4 C23 -6.0(3) . . . . ?
N3 Ni1 N4 C23 161.2(3) . . . . ?
O3 Ni1 N4 C23 68.3(4) . . . . ?
N1 Ni1 N4 C23 -65.3(5) . . . . ?
N2 Ni1 N4 C23 -117.9(4) . . . . ?
O9 Ni2 N5 C39 168.6(3) . . . . ?
O11 Ni2 N5 C39 -114.7(4) . . . . ?
N8 Ni2 N5 C39 76.9(4) . . . . ?
N6 Ni2 N5 C39 -5.7(4) . . . . ?
N7 Ni2 N5 C39 -57.1(6) . . . . ?
Gd1 Ni2 N5 C39 -154.6(4) . . . . ?
O9 Ni2 N5 C38 29.3(4) . . . . ?
O11 Ni2 N5 C38 106.1(4) . . . . ?
N8 Ni2 N5 C38 -62.3(4) . . . . ?
N6 Ni2 N5 C38 -145.0(4) . . . . ?
N7 Ni2 N5 C38 163.6(4) . . . . ?
Gd1 Ni2 N5 C38 66.1(4) . . . . ?
O9 Ni2 N6 C40 -87.0(17) . . . . ?
O11 Ni2 N6 C40 57.7(4) . . . . ?
N8 Ni2 N6 C40 -120.4(4) . . . . ?
N5 Ni2 N6 C40 -20.2(4) . . . . ?
N7 Ni2 N6 C40 140.7(4) . . . . ?
Gd1 Ni2 N6 C40 43.7(5) . . . . ?
O9 Ni2 N6 C51 152.6(15) . . . . ?
O11 Ni2 N6 C51 -62.7(4) . . . . ?
N8 Ni2 N6 C51 119.2(4) . . . . ?
N5 Ni2 N6 C51 -140.6(4) . . . . ?
N7 Ni2 N6 C51 20.3(4) . . . . ?
Gd1 Ni2 N6 C51 -76.7(5) . . . . ?
O9 Ni2 N6 C41 31.2(18) . . . . ?
O11 Ni2 N6 C41 176.0(4) . . . . ?
N8 Ni2 N6 C41 -2.2(4) . . . . ?
N5 Ni2 N6 C41 98.1(4) . . . . ?
N7 Ni2 N6 C41 -101.1(4) . . . . ?
Gd1 Ni2 N6 C41 161.9(3) . . . . ?
O9 Ni2 N7 C52 -171.3(4) . . . . ?
O11 Ni2 N7 C52 112.1(4) . . . . ?
N8 Ni2 N7 C52 -78.8(4) . . . . ?
N6 Ni2 N7 C52 4.0(4) . . . . ?
N5 Ni2 N7 C52 55.4(6) . . . . ?
Gd1 Ni2 N7 C52 148.9(3) . . . . ?
O9 Ni2 N7 C53 64.0(4) . . . . ?
O11 Ni2 N7 C53 -12.5(4) . . . . ?
N8 Ni2 N7 C53 156.6(4) . . . . ?
N6 Ni2 N7 C53 -120.6(4) . . . . ?
N5 Ni2 N7 C53 -69.2(6) . . . . ?
Gd1 Ni2 N7 C53 24.3(4) . . . . ?
O9 Ni2 N8 C42 160.2(4) . . . . ?
O11 Ni2 N8 C42 165.7(8) . . . . ?
N6 Ni2 N8 C42 -23.2(4) . . . . ?
N5 Ni2 N8 C42 -104.5(4) . . . . ?
N7 Ni2 N8 C42 57.9(4) . . . . ?
Gd1 Ni2 N8 C42 168.4(3) . . . . ?
O9 Ni2 N8 C43 35.7(4) . . . . ?
O11 Ni2 N8 C43 41.2(11) . . . . ?
N6 Ni2 N8 C43 -147.7(4) . . . . ?
N5 Ni2 N8 C43 131.1(4) . . . . ?
N7 Ni2 N8 C43 -66.5(4) . . . . ?
Gd1 Ni2 N8 C43 43.9(4) . . . . ?
C1 O1 C2 C3 7.8(9) . . . . ?
C1 O1 C2 C7 -170.9(5) . . . . ?
O1 C2 C3 C4 -179.2(6) . . . . ?
C7 C2 C3 C4 -0.5(9) . . . . ?
C2 C3 C4 C5 0.5(9) . . . . ?
C3 C4 C5 C6 1.1(9) . . . . ?
C4 C5 C6 C7 -2.5(9) . . . . ?
C4 C5 C6 C8 170.0(6) . . . . ?
Gd1 O2 C7 C2 131.0(6) . . . . ?
Gd1 O2 C7 C6 -45.8(9) . . . . ?
O1 C2 C7 O2 1.1(8) . . . . ?
C3 C2 C7 O2 -177.8(5) . . . . ?
O1 C2 C7 C6 177.9(5) . . . . ?
C3 C2 C7 C6 -1.0(9) . . . . ?
C5 C6 C7 O2 179.3(5) . . . . ?
C8 C6 C7 O2 6.7(8) . . . . ?
C5 C6 C7 C2 2.5(8) . . . . ?
C8 C6 C7 C2 -170.1(5) . . . . ?
C9 N1 C8 C6 77.1(6) . . . . ?
Ni1 N1 C8 C6 -142.2(4) . . . . ?
C5 C6 C8 N1 -88.0(6) . . . . ?
C7 C6 C8 N1 84.3(6) . . . . ?
C8 N1 C9 C10 -179.8(5) . . . . ?
Ni1 N1 C9 C10 34.1(6) . . . . ?
C13 N2 C10 C9 160.9(5) . . . . ?
C11 N2 C10 C9 -74.8(6) . . . . ?
Ni1 N2 C10 C9 41.7(5) . . . . ?
N1 C9 C10 N2 -51.0(7) . . . . ?
C13 N2 C11 C12 -93.3(6) . . . . ?
C10 N2 C11 C12 142.8(5) . . . . ?
Ni1 N2 C11 C12 26.0(5) . . . . ?
C15 N3 C12 C11 172.1(4) . . . . ?
Ni1 N3 C12 C11 46.2(5) . . . . ?
N2 C11 C12 N3 -48.8(6) . . . . ?
C10 N2 C13 C14 -160.3(5) . . . . ?
C11 N2 C13 C14 76.2(6) . . . . ?
Ni1 N2 C13 C14 -41.9(5) . . . . ?
C23 N4 C14 C13 94.7(5) . . . . ?
Ni1 N4 C14 C13 -30.4(5) . . . . ?
N2 C13 C14 N4 49.3(6) . . . . ?
C12 N3 C15 C16 164.8(4) . . . . ?
Ni1 N3 C15 C16 -71.1(5) . . . . ?
N3 C15 C16 C17 -117.8(6) . . . . ?
N3 C15 C16 C21 58.2(6) . . . . ?
C21 C16 C17 C18 0.6(9) . . . . ?
C15 C16 C17 C18 176.6(5) . . . . ?
C16 C17 C18 C19 -0.9(9) . . . . ?
C17 C18 C19 C20 0.2(9) . . . . ?
C22 O4 C20 C19 9.6(8) . . . . ?
Gd1 O4 C20 C19 -170.0(4) . . . . ?
C22 O4 C20 C21 -170.8(5) . . . . ?
Gd1 O4 C20 C21 9.6(6) . . . . ?
C18 C19 C20 O4 -179.7(5) . . . . ?
C18 C19 C20 C21 0.7(9) . . . . ?
Ni1 O3 C21 C16 -43.4(7) . . . . ?
Gd1 O3 C21 C16 169.7(4) . . . . ?
Ni1 O3 C21 C20 136.6(4) . . . . ?
Gd1 O3 C21 C20 -10.3(7) . . . . ?
C17 C16 C21 O3 -179.6(5) . . . . ?
C15 C16 C21 O3 4.3(8) . . . . ?
C17 C16 C21 C20 0.3(8) . . . . ?
C15 C16 C21 C20 -175.7(5) . . . . ?
O4 C20 C21 O3 -0.6(7) . . . . ?
C19 C20 C21 O3 179.0(5) . . . . ?
O4 C20 C21 C16 179.4(5) . . . . ?
C19 C20 C21 C16 -1.0(8) . . . . ?
C14 N4 C23 C24 -64.8(6) . . . . ?
Ni1 N4 C23 C24 57.7(5) . . . . ?
N4 C23 C24 C29 -63.6(6) . . . . ?
N4 C23 C24 C25 112.5(6) . . . . ?
C29 C24 C25 C26 1.2(9) . . . . ?
C23 C24 C25 C26 -174.8(5) . . . . ?
C24 C25 C26 C27 2.4(9) . . . . ?
C25 C26 C27 C28 -2.3(9) . . . . ?
C26 C27 C28 O6 178.3(5) . . . . ?
C26 C27 C28 C29 -1.4(9) . . . . ?
C30 O6 C28 C27 -9.4(8) . . . . ?
C30 O6 C28 C29 170.2(5) . . . . ?
Ni1 O5 C29 C24 67.8(6) . . . . ?
Gd1 O5 C29 C24 -91.1(6) . . . . ?
Ni1 O5 C29 C28 -108.1(5) . . . . ?
Gd1 O5 C29 C28 93.0(6) . . . . ?
C25 C24 C29 O5 179.3(5) . . . . ?
C23 C24 C29 O5 -4.4(8) . . . . ?
C25 C24 C29 C28 -4.7(8) . . . . ?
C23 C24 C29 C28 171.5(5) . . . . ?
C27 C28 C29 O5 -179.2(5) . . . . ?
O6 C28 C29 O5 1.1(8) . . . . ?
C27 C28 C29 C24 4.9(8) . . . . ?
O6 C28 C29 C24 -174.8(5) . . . . ?
C31 O7 C32 C33 -3.7(8) . . . . ?
C31 O7 C32 C37 176.7(5) . . . . ?
O7 C32 C33 C34 179.3(5) . . . . ?
C37 C32 C33 C34 -1.1(9) . . . . ?
C32 C33 C34 C35 -1.2(9) . . . . ?
C33 C34 C35 C36 1.0(9) . . . . ?
C34 C35 C36 C37 1.4(9) . . . . ?
C34 C35 C36 C38 -178.0(5) . . . . ?
Gd1 O8 C37 C36 -5(2) . . . . ?
Gd1 O8 C37 C32 175.7(17) . . . . ?
C35 C36 C37 O8 177.6(5) . . . . ?
C38 C36 C37 O8 -2.9(8) . . . . ?
C35 C36 C37 C32 -3.6(8) . . . . ?
C38 C36 C37 C32 175.9(5) . . . . ?
C33 C32 C37 O8 -177.7(5) . . . . ?
O7 C32 C37 O8 2.0(7) . . . . ?
C33 C32 C37 C36 3.5(8) . . . . ?
O7 C32 C37 C36 -176.9(5) . . . . ?
C35 C36 C38 N5 -107.5(6) . . . . ?
C37 C36 C38 N5 73.0(7) . . . . ?
C39 N5 C38 C36 84.9(6) . . . . ?
Ni2 N5 C38 C36 -137.0(4) . . . . ?
C38 N5 C39 C40 173.5(5) . . . . ?
Ni2 N5 C39 C40 29.9(5) . . . . ?
C51 N6 C40 C39 162.1(5) . . . . ?
C41 N6 C40 C39 -72.9(6) . . . . ?
Ni2 N6 C40 C39 43.6(5) . . . . ?
N5 C39 C40 N6 -50.0(6) . . . . ?
C40 N6 C41 C42 142.9(5) . . . . ?
C51 N6 C41 C42 -92.3(6) . . . . ?
Ni2 N6 C41 C42 26.9(6) . . . . ?
C43 N8 C42 C41 167.8(5) . . . . ?
Ni2 N8 C42 C41 44.0(5) . . . . ?
N6 C41 C42 N8 -48.3(7) . . . . ?
C42 N8 C43 C44 168.9(5) . . . . ?
Ni2 N8 C43 C44 -69.5(5) . . . . ?
N8 C43 C44 C45 -126.4(5) . . . . ?
N8 C43 C44 C49 52.8(7) . . . . ?
C49 C44 C45 C46 -0.3(9) . . . . ?
C43 C44 C45 C46 178.9(5) . . . . ?
C44 C45 C46 C47 -3.3(9) . . . . ?
C45 C46 C47 C48 1.8(9) . . . . ?
C46 C47 C48 O10 -178.4(5) . . . . ?
C46 C47 C48 C49 3.5(9) . . . . ?
C50 O10 C48 C47 23.5(8) . . . . ?
Gd1 O10 C48 C47 -165.0(4) . . . . ?
C50 O10 C48 C49 -158.3(5) . . . . ?
Gd1 O10 C48 C49 13.3(6) . . . . ?
Ni2 O9 C49 C48 142.6(4) . . . . ?
Gd1 O9 C49 C48 -9.4(7) . . . . ?
Ni2 O9 C49 C44 -36.1(7) . . . . ?
Gd1 O9 C49 C44 171.9(4) . . . . ?
C47 C48 C49 O9 174.3(5) . . . . ?
O10 C48 C49 O9 -4.0(7) . . . . ?
C47 C48 C49 C44 -7.0(8) . . . . ?
O10 C48 C49 C44 174.7(5) . . . . ?
C45 C44 C49 O9 -176.0(5) . . . . ?
C43 C44 C49 O9 4.8(8) . . . . ?
C45 C44 C49 C48 5.3(8) . . . . ?
C43 C44 C49 C48 -173.9(5) . . . . ?
C40 N6 C51 C52 -159.1(5) . . . . ?
C41 N6 C51 C52 76.9(6) . . . . ?
Ni2 N6 C51 C52 -41.8(5) . . . . ?
C53 N7 C52 C51 98.4(6) . . . . ?
Ni2 N7 C52 C51 -27.3(6) . . . . ?
N6 C51 C52 N7 47.0(7) . . . . ?
C52 N7 C53 C54 -62.2(6) . . . . ?
Ni2 N7 C53 C54 60.8(5) . . . . ?
N7 C53 C54 C59 -60.8(7) . . . . ?
N7 C53 C54 C55 116.6(6) . . . . ?
C59 C54 C55 C56 2.3(9) . . . . ?
C53 C54 C55 C56 -175.1(6) . . . . ?
C54 C55 C56 C57 3.4(10) . . . . ?
C55 C56 C57 C58 -3.0(10) . . . . ?
C60 O12 C58 C57 -16.9(9) . . . . ?
C60 O12 C58 C59 163.9(6) . . . . ?
C56 C57 C58 O12 177.9(6) . . . . ?
C56 C57 C58 C59 -2.9(10) . . . . ?
Ni2 O11 C59 C54 63.5(6) . . . . ?
Gd1 O11 C59 C54 -87.4(6) . . . . ?
Ni2 O11 C59 C58 -111.9(5) . . . . ?
Gd1 O11 C59 C58 97.2(6) . . . . ?
C55 C54 C59 O11 176.3(5) . . . . ?
C53 C54 C59 O11 -6.1(8) . . . . ?
C55 C54 C59 C58 -8.3(9) . . . . ?
C53 C54 C59 C58 169.2(5) . . . . ?
O12 C58 C59 O11 3.4(8) . . . . ?
C57 C58 C59 O11 -175.8(5) . . . . ?
O12 C58 C59 C54 -172.0(5) . . . . ?
C57 C58 C59 C54 8.7(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.75
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.844
_refine_diff_density_min         -1.309
_refine_diff_density_rms         0.174
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1508575'
_audit_update_record             
;
2016-10-06 deposited with the CCDC.
2016-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H79 Cl2 Dy N8 O21 Zn2'
_chemical_formula_weight         1612.45

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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   P2(1)/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                   14.3811(19)
_cell_length_b                   14.400(2)
_cell_length_c                   31.756(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.339(3)
_cell_angle_gamma                90.00
_cell_volume                     6574.6(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    9068
_cell_measurement_theta_min      2.90
_cell_measurement_theta_max      27.55

_exptl_crystal_description       strip-type
_exptl_crystal_colour            gray
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3292
_exptl_absorpt_coefficient_mu    2.011
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      299(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            96797
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.90
_diffrn_reflns_theta_max         25.01
_reflns_number_total             11533
_reflns_number_gt                10008
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_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. 
;

_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)+(0.0231P)²+35.0412P] 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         11533
_refine_ls_number_parameters     865
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0480
_refine_ls_wR_factor_ref         0.1081
_refine_ls_wR_factor_gt          0.1010
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_restrained_S_all      1.185
_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 0.252023(16) 0.885139(17) 0.102386(8) 0.02529(8) Uani 1 1 d D . .
Zn1 Zn 0.34447(4) 0.65455(4) 0.109716(19) 0.02904(15) Uani 1 1 d . . .
Zn2 Zn 0.16297(4) 0.96088(5) 0.19893(2) 0.03423(16) Uani 1 1 d . . .
O1 O 0.2206(3) 0.9420(3) -0.04847(14) 0.0558(12) Uani 1 1 d . . .
O2 O 0.3015(3) 0.8904(3) 0.02297(12) 0.0369(9) Uani 1 1 d D . .
H2 H 0.284(4) 0.9455(17) 0.0177(7) 0.055 Uiso 1 1 d D . .
O3 O 0.3742(2) 0.7911(2) 0.12711(11) 0.0274(8) Uani 1 1 d . . .
O4 O 0.4207(2) 0.9506(3) 0.09615(12) 0.0336(9) Uani 1 1 d . . .
O5 O 0.2271(2) 0.7304(2) 0.08916(11) 0.0270(8) Uani 1 1 d . . .
O6 O 0.1739(3) 0.6960(3) 0.00963(12) 0.0401(10) Uani 1 1 d . . .
O7 O 0.2807(3) 1.1021(3) 0.00862(14) 0.0523(12) Uani 1 1 d . . .
O8 O 0.2139(3) 1.0178(3) 0.07452(13) 0.0394(10) Uani 1 1 d . . .
O9 O 0.1311(2) 0.8732(2) 0.14870(11) 0.0291(8) Uani 1 1 d . . .
O10 O 0.0870(2) 0.8644(3) 0.06835(11) 0.0349(9) Uani 1 1 d . . .
O11 O 0.2832(2) 0.9609(3) 0.16450(11) 0.0306(8) Uani 1 1 d . . .
O12 O 0.3502(4) 1.1277(3) 0.1486(2) 0.0735(17) Uani 1 1 d . . .
N1 N 0.3760(3) 0.6648(3) 0.04342(14) 0.0318(10) Uani 1 1 d . . .
H1 H 0.3195 0.6767 0.0311 0.038 Uiso 1 1 calc R . .
N2 N 0.3406(3) 0.5042(3) 0.09113(15) 0.0364(11) Uani 1 1 d . . .
N3 N 0.4748(3) 0.6134(3) 0.13585(15) 0.0361(11) Uani 1 1 d . . .
H3 H 0.5181 0.6205 0.1157 0.043 Uiso 1 1 calc R . .
N4 N 0.2498(3) 0.5944(3) 0.15886(16) 0.0404(12) Uani 1 1 d . . .
H4 H 0.2765 0.6057 0.1846 0.049 Uiso 1 1 calc R . .
N5 N 0.1392(3) 1.0915(3) 0.16506(15) 0.0376(12) Uani 1 1 d . . .
H5 H 0.1961 1.1040 0.1544 0.045 Uiso 1 1 calc R . .
N6 N 0.1724(4) 1.0594(4) 0.25255(16) 0.0490(14) Uani 1 1 d . . .
N7 N 0.2489(4) 0.8771(4) 0.24663(15) 0.0493(14) Uani 1 1 d . . .
H7 H 0.2173 0.8237 0.2518 0.059 Uiso 1 1 calc R . .
N8 N 0.0291(3) 0.9374(4) 0.22271(16) 0.0444(13) Uani 1 1 d . . .
H8 H -0.0118 0.9767 0.2096 0.053 Uiso 1 1 calc R . .
C1 C 0.1640(6) 0.9614(7) -0.0840(3) 0.084(3) Uani 1 1 d . . .
H1A H 0.2020 0.9814 -0.1067 0.126 Uiso 1 1 calc R . .
H1B H 0.1206 1.0096 -0.0773 0.126 Uiso 1 1 calc R . .
H1C H 0.1305 0.9064 -0.0922 0.126 Uiso 1 1 calc R . .
C2 C 0.2874(4) 0.8765(4) -0.05188(18) 0.0399(14) Uani 1 1 d . . .
C3 C 0.3138(5) 0.8344(5) -0.08917(19) 0.0502(17) Uani 1 1 d . . .
H3A H 0.2859 0.8517 -0.1147 0.060 Uiso 1 1 calc R . .
C4 C 0.3813(5) 0.7672(5) -0.0879(2) 0.0552(18) Uani 1 1 d . . .
H4A H 0.3996 0.7395 -0.1129 0.066 Uiso 1 1 calc R . .
C5 C 0.4218(5) 0.7406(5) -0.0508(2) 0.0486(16) Uani 1 1 d . . .
H5A H 0.4672 0.6945 -0.0509 0.058 Uiso 1 1 calc R . .
C6 C 0.3973(4) 0.7803(4) -0.01293(17) 0.0348(13) Uani 1 1 d . . .
C7 C 0.3299(4) 0.8493(4) -0.01400(18) 0.0372(14) Uani 1 1 d D . .
C8 C 0.4343(4) 0.7420(4) 0.02831(18) 0.0381(14) Uani 1 1 d . . .
H8A H 0.4974 0.7201 0.0248 0.046 Uiso 1 1 calc R . .
H8B H 0.4359 0.7912 0.0492 0.046 Uiso 1 1 calc R . .
C9 C 0.4009(5) 0.5735(4) 0.0256(2) 0.0478(16) Uani 1 1 d . . .
H9A H 0.4655 0.5592 0.0323 0.057 Uiso 1 1 calc R . .
H9B H 0.3926 0.5743 -0.0048 0.057 Uiso 1 1 calc R . .
C10 C 0.3381(5) 0.5007(4) 0.0446(2) 0.0488(16) Uani 1 1 d . . .
H10A H 0.2747 0.5105 0.0344 0.059 Uiso 1 1 calc R . .
H10B H 0.3575 0.4395 0.0355 0.059 Uiso 1 1 calc R . .
C11 C 0.4275(5) 0.4614(4) 0.1082(2) 0.0511(17) Uani 1 1 d . . .
H11A H 0.4731 0.4593 0.0862 0.061 Uiso 1 1 calc R . .
H11B H 0.4146 0.3980 0.1166 0.061 Uiso 1 1 calc R . .
C12 C 0.4683(5) 0.5140(4) 0.1458(2) 0.0462(16) Uani 1 1 d . . .
H12A H 0.4292 0.5053 0.1700 0.055 Uiso 1 1 calc R . .
H12B H 0.5297 0.4900 0.1529 0.055 Uiso 1 1 calc R . .
C13 C 0.2563(4) 0.4627(4) 0.1085(2) 0.0468(16) Uani 1 1 d . . .
H13A H 0.2610 0.3955 0.1073 0.056 Uiso 1 1 calc R . .
H13B H 0.2026 0.4813 0.0915 0.056 Uiso 1 1 calc R . .
C14 C 0.2426(5) 0.4924(4) 0.1538(2) 0.0512(17) Uani 1 1 d . . .
H14A H 0.1819 0.4720 0.1627 0.061 Uiso 1 1 calc R . .
H14B H 0.2892 0.4625 0.1717 0.061 Uiso 1 1 calc R . .
C15 C 0.5027(4) 0.6718(4) 0.17220(19) 0.0417(15) Uani 1 1 d . . .
H15A H 0.5556 0.6440 0.1869 0.050 Uiso 1 1 calc R . .
H15B H 0.4518 0.6759 0.1917 0.050 Uiso 1 1 calc R . .
C16 C 0.5277(4) 0.7665(4) 0.15725(18) 0.0366(13) Uani 1 1 d . . .
C17 C 0.6165(4) 0.8018(5) 0.1638(2) 0.0491(17) Uani 1 1 d . . .
H17 H 0.6602 0.7663 0.1786 0.059 Uiso 1 1 calc R . .
C18 C 0.6416(4) 0.8862(5) 0.1495(2) 0.0521(17) Uani 1 1 d . . .
H18 H 0.7013 0.9086 0.1550 0.063 Uiso 1 1 calc R . .
C19 C 0.5779(4) 0.9397(4) 0.1264(2) 0.0421(15) Uani 1 1 d . . .
H19 H 0.5947 0.9978 0.1163 0.051 Uiso 1 1 calc R . .
C20 C 0.4900(4) 0.9055(4) 0.11878(17) 0.0296(12) Uani 1 1 d . . .
C21 C 0.4625(3) 0.8197(4) 0.13485(16) 0.0279(12) Uani 1 1 d . . .
C22 C 0.4482(5) 1.0291(5) 0.0719(2) 0.0535(18) Uani 1 1 d . . .
H22A H 0.3948 1.0546 0.0573 0.080 Uiso 1 1 calc R . .
H22B H 0.4933 1.0102 0.0518 0.080 Uiso 1 1 calc R . .
H22C H 0.4750 1.0754 0.0903 0.080 Uiso 1 1 calc R . .
C23 C 0.1562(4) 0.6397(4) 0.15782(18) 0.0398(14) Uani 1 1 d . . .
H23A H 0.1627 0.7050 0.1648 0.048 Uiso 1 1 calc R . .
H23B H 0.1172 0.6111 0.1787 0.048 Uiso 1 1 calc R . .
C24 C 0.1108(4) 0.6301(4) 0.11514(18) 0.0340(13) Uani 1 1 d . . .
C25 C 0.0336(4) 0.5743(5) 0.1075(2) 0.0482(16) Uani 1 1 d . . .
H25 H 0.0043 0.5459 0.1299 0.058 Uiso 1 1 calc R . .
C26 C 0.0002(4) 0.5610(5) 0.0671(2) 0.0527(18) Uani 1 1 d . . .
H26 H -0.0532 0.5257 0.0623 0.063 Uiso 1 1 calc R . .
C27 C 0.0454(4) 0.5995(4) 0.0334(2) 0.0457(16) Uani 1 1 d . . .
H27 H 0.0243 0.5877 0.0060 0.055 Uiso 1 1 calc R . .
C28 C 0.1226(4) 0.6561(4) 0.04056(18) 0.0340(13) Uani 1 1 d . . .
C29 C 0.1537(3) 0.6737(4) 0.08227(17) 0.0290(12) Uani 1 1 d . . .
C30 C 0.1540(5) 0.6688(6) -0.0326(2) 0.061(2) Uani 1 1 d . . .
H30A H 0.1993 0.6954 -0.0508 0.092 Uiso 1 1 calc R . .
H30B H 0.0931 0.6901 -0.0409 0.092 Uiso 1 1 calc R . .
H30C H 0.1563 0.6023 -0.0346 0.092 Uiso 1 1 calc R . .
C31 C 0.3232(6) 1.1469(7) -0.0257(3) 0.079(3) Uani 1 1 d . . .
H31A H 0.2762 1.1662 -0.0458 0.119 Uiso 1 1 calc R . .
H31B H 0.3651 1.1046 -0.0389 0.119 Uiso 1 1 calc R . .
H31C H 0.3571 1.2002 -0.0156 0.119 Uiso 1 1 calc R . .
C32 C 0.2195(4) 1.1518(4) 0.03160(19) 0.0392(14) Uani 1 1 d . . .
C33 C 0.1925(5) 1.2416(4) 0.0237(2) 0.0499(17) Uani 1 1 d . . .
H33 H 0.2177 1.2738 0.0013 0.060 Uiso 1 1 calc R . .
C34 C 0.1279(5) 1.2848(5) 0.0488(2) 0.058(2) Uani 1 1 d . . .
H34 H 0.1096 1.3456 0.0431 0.070 Uiso 1 1 calc R . .
C35 C 0.0915(5) 1.2384(4) 0.0819(2) 0.0506(17) Uani 1 1 d . . .
H35 H 0.0486 1.2682 0.0987 0.061 Uiso 1 1 calc R . .
C36 C 0.1172(4) 1.1467(4) 0.0911(2) 0.0442(15) Uani 1 1 d . . .
C37 C 0.1839(4) 1.1029(4) 0.06649(19) 0.0355(13) Uani 1 1 d . . .
C38 C 0.0771(4) 1.0950(5) 0.1271(2) 0.0453(16) Uani 1 1 d . . .
H38A H 0.0189 1.1241 0.1345 0.054 Uiso 1 1 calc R . .
H38B H 0.0632 1.0320 0.1181 0.054 Uiso 1 1 calc R . .
C39 C 0.1261(5) 1.1684(5) 0.1948(2) 0.0590(19) Uani 1 1 d . . .
H39A H 0.0613 1.1719 0.2025 0.071 Uiso 1 1 calc R . .
H39B H 0.1429 1.2267 0.1817 0.071 Uiso 1 1 calc R . .
C40 C 0.1868(5) 1.1522(5) 0.2339(2) 0.062(2) Uani 1 1 d . . .
H40A H 0.2516 1.1586 0.2266 0.074 Uiso 1 1 calc R . .
H40B H 0.1732 1.1993 0.2546 0.074 Uiso 1 1 calc R . .
C41 C 0.0823(5) 1.0537(6) 0.2740(2) 0.064(2) Uani 1 1 d . . .
H41A H 0.0416 1.1024 0.2633 0.076 Uiso 1 1 calc R . .
H41B H 0.0927 1.0644 0.3039 0.076 Uiso 1 1 calc R . .
C42 C 0.0345(5) 0.9609(6) 0.2680(2) 0.059(2) Uani 1 1 d . . .
H42A H 0.0690 0.9132 0.2832 0.071 Uiso 1 1 calc R . .
H42B H -0.0277 0.9637 0.2791 0.071 Uiso 1 1 calc R . .
C43 C -0.0011(4) 0.8414(5) 0.21464(19) 0.0465(16) Uani 1 1 d . . .
H43A H -0.0559 0.8283 0.2308 0.056 Uiso 1 1 calc R . .
H43B H 0.0477 0.7990 0.2238 0.056 Uiso 1 1 calc R . .
C44 C -0.0228(4) 0.8258(4) 0.16861(19) 0.0370(13) Uani 1 1 d . . .
C45 C -0.1094(4) 0.7932(5) 0.1552(2) 0.0456(16) Uani 1 1 d . . .
H45 H -0.1541 0.7803 0.1751 0.055 Uiso 1 1 calc R . .
C46 C -0.1307(4) 0.7796(5) 0.1135(2) 0.0498(17) Uani 1 1 d . . .
H46 H -0.1881 0.7549 0.1054 0.060 Uiso 1 1 calc R . .
C47 C -0.0669(4) 0.8024(4) 0.0834(2) 0.0416(15) Uani 1 1 d . . .
H47 H -0.0816 0.7940 0.0549 0.050 Uiso 1 1 calc R . .
C48 C 0.0181(4) 0.8375(4) 0.09567(18) 0.0313(12) Uani 1 1 d . . .
C49 C 0.0437(3) 0.8461(4) 0.13839(17) 0.0287(12) Uani 1 1 d . . .
C50 C 0.0570(5) 0.8880(5) 0.02669(19) 0.0532(17) Uani 1 1 d . . .
H50A H 0.1084 0.9130 0.0116 0.080 Uiso 1 1 calc R . .
H50B H 0.0083 0.9335 0.0278 0.080 Uiso 1 1 calc R . .
H50C H 0.0341 0.8334 0.0125 0.080 Uiso 1 1 calc R . .
C51 C 0.2517(5) 1.0325(6) 0.2800(2) 0.062(2) Uani 1 1 d . . .
H51A H 0.2460 1.0629 0.3071 0.074 Uiso 1 1 calc R . .
H51B H 0.3088 1.0540 0.2676 0.074 Uiso 1 1 calc R . .
C52 C 0.2573(5) 0.9286(6) 0.2866(2) 0.063(2) Uani 1 1 d . . .
H52A H 0.3163 0.9134 0.3004 0.075 Uiso 1 1 calc R . .
H52B H 0.2080 0.9093 0.3050 0.075 Uiso 1 1 calc R . .
C53 C 0.3419(5) 0.8505(5) 0.2302(2) 0.0548(18) Uani 1 1 d . . .
H53A H 0.3762 0.8156 0.2515 0.066 Uiso 1 1 calc R . .
H53B H 0.3333 0.8108 0.2057 0.066 Uiso 1 1 calc R . .
C54 C 0.3964(4) 0.9337(6) 0.2184(2) 0.0526(18) Uani 1 1 d . . .
C55 C 0.4787(5) 0.9614(8) 0.2387(2) 0.076(3) Uani 1 1 d . . .
H55 H 0.5057 0.9242 0.2596 0.091 Uiso 1 1 calc R . .
C56 C 0.5199(6) 1.0437(9) 0.2279(3) 0.095(4) Uani 1 1 d . . .
H56 H 0.5763 1.0603 0.2406 0.115 Uiso 1 1 calc R . .
C57 C 0.4795(6) 1.1019(7) 0.1986(3) 0.083(3) Uani 1 1 d . . .
H57 H 0.5068 1.1589 0.1929 0.099 Uiso 1 1 calc R . .
C58 C 0.3983(5) 1.0764(5) 0.1775(2) 0.055(2) Uani 1 1 d . . .
C59 C 0.3594(4) 0.9889(4) 0.18627(19) 0.0382(14) Uani 1 1 d . . .
C60 C 0.3753(8) 1.2212(6) 0.1415(5) 0.138(5) Uani 1 1 d . . .
H60A H 0.3319 1.2488 0.1217 0.208 Uiso 1 1 calc R . .
H60B H 0.4367 1.2236 0.1303 0.208 Uiso 1 1 calc R . .
H60C H 0.3743 1.2548 0.1676 0.208 Uiso 1 1 calc R . .
Cl1 Cl 0.70077(14) 0.55559(15) 0.08214(7) 0.0684(6) Uani 1 1 d . . .
O13 O 0.6418(14) 0.6184(11) 0.0801(9) 0.437(19) Uani 1 1 d . . .
O14 O 0.7372(16) 0.5675(17) 0.1159(3) 0.413(18) Uani 1 1 d . . .
O15 O 0.6511(8) 0.4772(7) 0.0822(3) 0.188(5) Uani 1 1 d . . .
O16 O 0.7586(5) 0.5690(7) 0.0495(2) 0.127(3) Uani 1 1 d . . .
Cl2 Cl 0.19080(16) 0.62193(19) 0.28366(7) 0.0781(6) Uani 1 1 d . . .
O17 O 0.2551(10) 0.6429(15) 0.3104(4) 0.303(10) Uani 1 1 d . . .
O18 O 0.1261(8) 0.6838(10) 0.2716(5) 0.240(7) Uani 1 1 d . . .
O19 O 0.1479(12) 0.5602(11) 0.3000(8) 0.364(14) Uani 1 1 d . . .
O20 O 0.2382(11) 0.6079(19) 0.2526(3) 0.402(17) Uani 1 1 d . . .
O1W O 0.2822(13) 0.3796(11) 0.2457(4) 0.126(6) Uani 0.50 1 d P . .
O2W O 0.1150(16) 0.845(2) 0.3635(7) 0.245(15) Uani 0.50 1 d P . .


_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 O8 2.171(4) . ?
Dy1 O11 2.290(4) . ?
Dy1 O5 2.295(3) . ?
Dy1 O9 2.310(3) . ?
Dy1 O3 2.340(3) . ?
Dy1 O10 2.602(4) . ?
Dy1 O4 2.614(4) . ?
Dy1 O2 2.638(4) . ?
Dy1 Zn2 3.5232(8) . ?
Dy1 Zn1 3.5823(8) . ?
Zn1 O3 2.084(4) . ?
Zn1 O5 2.102(3) . ?
Zn1 N3 2.116(5) . ?
Zn1 N1 2.169(4) . ?
Zn1 N2 2.245(5) . ?
Zn1 N4 2.267(5) . ?
Zn2 O11 2.068(3) . ?
Zn2 O9 2.077(4) . ?
Zn2 N8 2.112(5) . ?
Zn2 N5 2.190(5) . ?
Zn2 N6 2.218(5) . ?
Zn2 N7 2.278(5) . ?
O1 C2 1.353(8) . ?
O1 C1 1.403(8) . ?
O2 C7 1.384(6) . ?
O2 H2 0.849(10) . ?
O3 C21 1.351(6) . ?
O4 C20 1.378(6) . ?
O4 C22 1.429(7) . ?
O5 C29 1.347(6) . ?
O6 C28 1.369(7) . ?
O6 C30 1.419(7) . ?
O7 C32 1.359(8) . ?
O7 C31 1.416(8) . ?
O8 C37 1.322(7) . ?
O9 C49 1.348(6) . ?
O10 C48 1.387(6) . ?
O10 C50 1.423(7) . ?
O11 C59 1.343(7) . ?
O12 C58 1.357(10) . ?
O12 C60 1.414(9) . ?
N1 C8 1.479(7) . ?
N1 C9 1.479(7) . ?
N1 H1 0.9100 . ?
N2 C13 1.471(7) . ?
N2 C10 1.478(8) . ?
N2 C11 1.485(8) . ?
N3 C12 1.470(7) . ?
N3 C15 1.475(7) . ?
N3 H3 0.9100 . ?
N4 C14 1.482(8) . ?
N4 C23 1.496(8) . ?
N4 H4 0.9100 . ?
N5 C39 1.469(8) . ?
N5 C38 1.485(8) . ?
N5 H5 0.9100 . ?
N6 C51 1.471(9) . ?
N6 C40 1.478(9) . ?
N6 C41 1.480(8) . ?
N7 C52 1.473(8) . ?
N7 C53 1.498(8) . ?
N7 H7 0.9100 . ?
N8 C43 1.469(8) . ?
N8 C42 1.476(8) . ?
N8 H8 0.9100 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.391(9) . ?
C2 C7 1.393(8) . ?
C3 C4 1.370(10) . ?
C3 H3A 0.9300 . ?
C4 C5 1.358(9) . ?
C4 H4A 0.9300 . ?
C5 C6 1.386(8) . ?
C5 H5A 0.9300 . ?
C6 C7 1.389(8) . ?
C6 C8 1.506(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.518(9) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.520(9) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.516(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.492(8) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.386(8) . ?
C16 C21 1.393(8) . ?
C17 C18 1.350(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.392(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.373(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.398(8) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.497(8) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C29 1.376(8) . ?
C24 C25 1.387(8) . ?
C25 C26 1.375(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.380(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.392(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.411(8) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.372(9) . ?
C32 C37 1.419(8) . ?
C33 C34 1.386(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.360(10) . ?
C34 H34 0.9300 . ?
C35 C36 1.400(9) . ?
C35 H35 0.9300 . ?
C36 C37 1.402(9) . ?
C36 C38 1.491(9) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.519(11) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.513(10) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.504(8) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.388(8) . ?
C44 C49 1.402(8) . ?
C45 C46 1.365(9) . ?
C45 H45 0.9300 . ?
C46 C47 1.381(9) . ?
C46 H46 0.9300 . ?
C47 C48 1.373(8) . ?
C47 H47 0.9300 . ?
C48 C49 1.403(8) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C52 1.514(11) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.484(10) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C59 1.389(10) . ?
C54 C55 1.395(10) . ?
C55 C56 1.372(14) . ?
C55 H55 0.9300 . ?
C56 C57 1.371(14) . ?
C56 H56 0.9300 . ?
C57 C58 1.381(11) . ?
C57 H57 0.9300 . ?
C58 C59 1.408(9) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
Cl1 O14 1.196(9) . ?
Cl1 O13 1.240(15) . ?
Cl1 O15 1.336(8) . ?
Cl1 O16 1.358(7) . ?
Cl2 O19 1.207(13) . ?
Cl2 O20 1.230(10) . ?
Cl2 O17 1.276(11) . ?
Cl2 O18 1.337(10) . ?

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
O8 Dy1 O11 88.52(15) . . ?
O8 Dy1 O5 138.02(14) . . ?
O11 Dy1 O5 130.35(13) . . ?
O8 Dy1 O9 97.95(14) . . ?
O11 Dy1 O9 67.82(12) . . ?
O5 Dy1 O9 85.84(12) . . ?
O8 Dy1 O3 145.78(13) . . ?
O11 Dy1 O3 81.73(12) . . ?
O5 Dy1 O3 67.19(12) . . ?
O9 Dy1 O3 108.30(12) . . ?
O8 Dy1 O10 73.29(14) . . ?
O11 Dy1 O10 124.83(12) . . ?
O5 Dy1 O10 71.05(12) . . ?
O9 Dy1 O10 64.08(12) . . ?
O3 Dy1 O10 138.04(12) . . ?
O8 Dy1 O4 82.96(13) . . ?
O11 Dy1 O4 74.32(12) . . ?
O5 Dy1 O4 118.55(12) . . ?
O9 Dy1 O4 142.06(12) . . ?
O3 Dy1 O4 62.83(12) . . ?
O10 Dy1 O4 148.09(11) . . ?
O8 Dy1 O2 69.89(14) . . ?
O11 Dy1 O2 139.29(13) . . ?
O5 Dy1 O2 84.12(12) . . ?
O9 Dy1 O2 146.61(13) . . ?
O3 Dy1 O2 96.90(12) . . ?
O10 Dy1 O2 82.54(12) . . ?
O4 Dy1 O2 69.23(12) . . ?
O8 Dy1 Zn2 89.36(11) . . ?
O11 Dy1 Zn2 33.97(9) . . ?
O5 Dy1 Zn2 113.67(9) . . ?
O9 Dy1 Zn2 34.38(9) . . ?
O3 Dy1 Zn2 99.94(9) . . ?
O10 Dy1 Zn2 92.89(8) . . ?
O4 Dy1 Zn2 108.12(8) . . ?
O2 Dy1 Zn2 159.21(8) . . ?
O8 Dy1 Zn1 158.78(11) . . ?
O11 Dy1 Zn1 108.72(9) . . ?
O5 Dy1 Zn1 33.68(8) . . ?
O9 Dy1 Zn1 99.99(9) . . ?
O3 Dy1 Zn1 33.59(8) . . ?
O10 Dy1 Zn1 104.72(9) . . ?
O4 Dy1 Zn1 89.76(8) . . ?
O2 Dy1 Zn1 88.89(8) . . ?
Zn2 Dy1 Zn1 111.857(17) . . ?
O3 Zn1 O5 75.56(13) . . ?
O3 Zn1 N3 89.17(16) . . ?
O5 Zn1 N3 164.73(16) . . ?
O3 Zn1 N1 98.44(15) . . ?
O5 Zn1 N1 81.26(15) . . ?
N3 Zn1 N1 101.32(18) . . ?
O3 Zn1 N2 169.57(16) . . ?
O5 Zn1 N2 113.88(16) . . ?
N3 Zn1 N2 81.34(18) . . ?
N1 Zn1 N2 79.33(17) . . ?
O3 Zn1 N4 107.51(16) . . ?
O5 Zn1 N4 85.49(16) . . ?
N3 Zn1 N4 99.41(18) . . ?
N1 Zn1 N4 146.82(18) . . ?
N2 Zn1 N4 78.52(18) . . ?
O3 Zn1 Dy1 38.39(9) . . ?
O5 Zn1 Dy1 37.26(9) . . ?
N3 Zn1 Dy1 127.49(13) . . ?
N1 Zn1 Dy1 87.68(12) . . ?
N2 Zn1 Dy1 150.49(12) . . ?
N4 Zn1 Dy1 99.84(13) . . ?
O11 Zn2 O9 76.51(13) . . ?
O11 Zn2 N8 165.94(17) . . ?
O9 Zn2 N8 89.45(17) . . ?
O11 Zn2 N5 82.10(16) . . ?
O9 Zn2 N5 96.65(16) . . ?
N8 Zn2 N5 100.4(2) . . ?
O11 Zn2 N6 111.63(17) . . ?
O9 Zn2 N6 170.66(17) . . ?
N8 Zn2 N6 82.4(2) . . ?
N5 Zn2 N6 80.4(2) . . ?
O11 Zn2 N7 84.51(17) . . ?
O9 Zn2 N7 107.18(17) . . ?
N8 Zn2 N7 99.3(2) . . ?
N5 Zn2 N7 149.0(2) . . ?
N6 Zn2 N7 78.8(2) . . ?
O11 Zn2 Dy1 38.23(10) . . ?
O9 Zn2 Dy1 38.91(9) . . ?
N8 Zn2 Dy1 127.92(14) . . ?
N5 Zn2 Dy1 83.93(12) . . ?
N6 Zn2 Dy1 148.11(14) . . ?
N7 Zn2 Dy1 102.24(13) . . ?
C2 O1 C1 118.3(6) . . ?
C7 O2 Dy1 152.9(3) . . ?
C7 O2 H2 109.1(13) . . ?
Dy1 O2 H2 97.3(13) . . ?
C21 O3 Zn1 121.4(3) . . ?
C21 O3 Dy1 125.4(3) . . ?
Zn1 O3 Dy1 108.01(14) . . ?
C20 O4 C22 116.6(4) . . ?
C20 O4 Dy1 116.8(3) . . ?
C22 O4 Dy1 126.6(3) . . ?
C29 O5 Zn1 110.9(3) . . ?
C29 O5 Dy1 137.4(3) . . ?
Zn1 O5 Dy1 109.07(14) . . ?
C28 O6 C30 117.5(5) . . ?
C32 O7 C31 118.0(6) . . ?
C37 O8 Dy1 166.6(4) . . ?
C49 O9 Zn2 123.4(3) . . ?
C49 O9 Dy1 125.3(3) . . ?
Zn2 O9 Dy1 106.72(14) . . ?
C48 O10 C50 116.3(4) . . ?
C48 O10 Dy1 115.5(3) . . ?
C50 O10 Dy1 127.8(4) . . ?
C59 O11 Zn2 114.2(3) . . ?
C59 O11 Dy1 136.7(3) . . ?
Zn2 O11 Dy1 107.80(15) . . ?
C58 O12 C60 119.9(8) . . ?
C8 N1 C9 113.6(4) . . ?
C8 N1 Zn1 119.9(3) . . ?
C9 N1 Zn1 111.6(4) . . ?
C8 N1 H1 103.0 . . ?
C9 N1 H1 103.0 . . ?
Zn1 N1 H1 103.0 . . ?
C13 N2 C10 111.1(5) . . ?
C13 N2 C11 112.8(5) . . ?
C10 N2 C11 110.7(5) . . ?
C13 N2 Zn1 108.0(3) . . ?
C10 N2 Zn1 107.2(3) . . ?
C11 N2 Zn1 106.8(4) . . ?
C12 N3 C15 113.8(5) . . ?
C12 N3 Zn1 107.3(4) . . ?
C15 N3 Zn1 111.7(3) . . ?
C12 N3 H3 107.9 . . ?
C15 N3 H3 107.9 . . ?
Zn1 N3 H3 107.9 . . ?
C14 N4 C23 111.7(5) . . ?
C14 N4 Zn1 110.2(4) . . ?
C23 N4 Zn1 111.9(3) . . ?
C14 N4 H4 107.6 . . ?
C23 N4 H4 107.6 . . ?
Zn1 N4 H4 107.6 . . ?
C39 N5 C38 114.3(5) . . ?
C39 N5 Zn2 110.6(4) . . ?
C38 N5 Zn2 120.8(4) . . ?
C39 N5 H5 102.7 . . ?
C38 N5 H5 102.7 . . ?
Zn2 N5 H5 102.7 . . ?
C51 N6 C40 111.2(6) . . ?
C51 N6 C41 112.7(6) . . ?
C40 N6 C41 111.6(6) . . ?
C51 N6 Zn2 108.6(4) . . ?
C40 N6 Zn2 106.1(4) . . ?
C41 N6 Zn2 106.2(4) . . ?
C52 N7 C53 112.0(5) . . ?
C52 N7 Zn2 109.8(5) . . ?
C53 N7 Zn2 112.3(4) . . ?
C52 N7 H7 107.5 . . ?
C53 N7 H7 107.5 . . ?
Zn2 N7 H7 107.5 . . ?
C43 N8 C42 113.2(5) . . ?
C43 N8 Zn2 110.9(4) . . ?
C42 N8 Zn2 106.5(4) . . ?
C43 N8 H8 108.7 . . ?
C42 N8 H8 108.7 . . ?
Zn2 N8 H8 108.7 . . ?
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 . . ?
O1 C2 C3 125.5(6) . . ?
O1 C2 C7 115.2(5) . . ?
C3 C2 C7 119.3(6) . . ?
C4 C3 C2 119.4(6) . . ?
C4 C3 H3A 120.3 . . ?
C2 C3 H3A 120.3 . . ?
C5 C4 C3 120.9(6) . . ?
C5 C4 H4A 119.5 . . ?
C3 C4 H4A 119.5 . . ?
C4 C5 C6 121.6(6) . . ?
C4 C5 H5A 119.2 . . ?
C6 C5 H5A 119.2 . . ?
C5 C6 C7 117.8(6) . . ?
C5 C6 C8 120.9(5) . . ?
C7 C6 C8 121.0(5) . . ?
O2 C7 C6 120.3(5) . . ?
O2 C7 C2 118.7(5) . . ?
C6 C7 C2 121.0(5) . . ?
N1 C8 C6 111.5(5) . . ?
N1 C8 H8A 109.3 . . ?
C6 C8 H8A 109.3 . . ?
N1 C8 H8B 109.3 . . ?
C6 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
N1 C9 C10 108.1(5) . . ?
N1 C9 H9A 110.1 . . ?
C10 C9 H9A 110.1 . . ?
N1 C9 H9B 110.1 . . ?
C10 C9 H9B 110.1 . . ?
H9A C9 H9B 108.4 . . ?
N2 C10 C9 111.9(5) . . ?
N2 C10 H10A 109.2 . . ?
C9 C10 H10A 109.2 . . ?
N2 C10 H10B 109.2 . . ?
C9 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
N2 C11 C12 112.7(5) . . ?
N2 C11 H11A 109.0 . . ?
C12 C11 H11A 109.0 . . ?
N2 C11 H11B 109.0 . . ?
C12 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
N3 C12 C11 110.0(5) . . ?
N3 C12 H12A 109.7 . . ?
C11 C12 H12A 109.7 . . ?
N3 C12 H12B 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
N2 C13 C14 111.6(5) . . ?
N2 C13 H13A 109.3 . . ?
C14 C13 H13A 109.3 . . ?
N2 C13 H13B 109.3 . . ?
C14 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
N4 C14 C13 111.9(5) . . ?
N4 C14 H14A 109.2 . . ?
C13 C14 H14A 109.2 . . ?
N4 C14 H14B 109.2 . . ?
C13 C14 H14B 109.2 . . ?
H14A C14 H14B 107.9 . . ?
N3 C15 C16 109.6(5) . . ?
N3 C15 H15A 109.8 . . ?
C16 C15 H15A 109.8 . . ?
N3 C15 H15B 109.8 . . ?
C16 C15 H15B 109.8 . . ?
H15A C15 H15B 108.2 . . ?
C17 C16 C21 118.9(6) . . ?
C17 C16 C15 121.1(5) . . ?
C21 C16 C15 120.0(5) . . ?
C18 C17 C16 122.1(6) . . ?
C18 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
C17 C18 C19 119.9(6) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 119.1(6) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C19 C20 O4 125.1(5) . . ?
C19 C20 C21 121.3(5) . . ?
O4 C20 C21 113.6(4) . . ?
O3 C21 C16 123.0(5) . . ?
O3 C21 C20 118.4(5) . . ?
C16 C21 C20 118.6(5) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C24 110.7(5) . . ?
N4 C23 H23A 109.5 . . ?
C24 C23 H23A 109.5 . . ?
N4 C23 H23B 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C29 C24 C25 120.2(6) . . ?
C29 C24 C23 116.8(5) . . ?
C25 C24 C23 122.8(5) . . ?
C26 C25 C24 120.4(6) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C25 C26 C27 120.4(6) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C26 C27 C28 119.8(6) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
O6 C28 C27 124.8(5) . . ?
O6 C28 C29 115.7(5) . . ?
C27 C28 C29 119.5(5) . . ?
O5 C29 C24 121.1(5) . . ?
O5 C29 C28 119.4(5) . . ?
C24 C29 C28 119.5(5) . . ?
O6 C30 H30A 109.5 . . ?
O6 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O6 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O7 C31 H31A 109.5 . . ?
O7 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O7 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O7 C32 C33 125.6(6) . . ?
O7 C32 C37 114.1(5) . . ?
C33 C32 C37 120.3(6) . . ?
C32 C33 C34 120.6(6) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C35 C34 C33 120.0(6) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 121.3(7) . . ?
C34 C35 H35 119.3 . . ?
C36 C35 H35 119.3 . . ?
C35 C36 C37 119.3(6) . . ?
C35 C36 C38 121.8(6) . . ?
C37 C36 C38 119.0(6) . . ?
O8 C37 C36 122.3(5) . . ?
O8 C37 C32 119.2(5) . . ?
C36 C37 C32 118.5(5) . . ?
N5 C38 C36 113.7(5) . . ?
N5 C38 H38A 108.8 . . ?
C36 C38 H38A 108.8 . . ?
N5 C38 H38B 108.8 . . ?
C36 C38 H38B 108.8 . . ?
H38A C38 H38B 107.7 . . ?
N5 C39 C40 109.2(6) . . ?
N5 C39 H39A 109.8 . . ?
C40 C39 H39A 109.8 . . ?
N5 C39 H39B 109.8 . . ?
C40 C39 H39B 109.8 . . ?
H39A C39 H39B 108.3 . . ?
N6 C40 C39 112.6(6) . . ?
N6 C40 H40A 109.1 . . ?
C39 C40 H40A 109.1 . . ?
N6 C40 H40B 109.1 . . ?
C39 C40 H40B 109.1 . . ?
H40A C40 H40B 107.8 . . ?
N6 C41 C42 113.0(6) . . ?
N6 C41 H41A 109.0 . . ?
C42 C41 H41A 109.0 . . ?
N6 C41 H41B 109.0 . . ?
C42 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
N8 C42 C41 109.9(6) . . ?
N8 C42 H42A 109.7 . . ?
C41 C42 H42A 109.7 . . ?
N8 C42 H42B 109.7 . . ?
C41 C42 H42B 109.7 . . ?
H42A C42 H42B 108.2 . . ?
N8 C43 C44 111.3(5) . . ?
N8 C43 H43A 109.4 . . ?
C44 C43 H43A 109.4 . . ?
N8 C43 H43B 109.4 . . ?
C44 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C45 C44 C49 118.8(6) . . ?
C45 C44 C43 120.9(5) . . ?
C49 C44 C43 120.2(5) . . ?
C46 C45 C44 121.7(6) . . ?
C46 C45 H45 119.2 . . ?
C44 C45 H45 119.2 . . ?
C45 C46 C47 120.1(6) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
C48 C47 C46 119.5(6) . . ?
C48 C47 H47 120.3 . . ?
C46 C47 H47 120.3 . . ?
C47 C48 O10 124.7(5) . . ?
C47 C48 C49 121.3(5) . . ?
O10 C48 C49 113.9(5) . . ?
O9 C49 C44 122.8(5) . . ?
O9 C49 C48 118.8(5) . . ?
C44 C49 C48 118.4(5) . . ?
O10 C50 H50A 109.5 . . ?
O10 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
O10 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N6 C51 C52 112.4(6) . . ?
N6 C51 H51A 109.1 . . ?
C52 C51 H51A 109.1 . . ?
N6 C51 H51B 109.1 . . ?
C52 C51 H51B 109.1 . . ?
H51A C51 H51B 107.9 . . ?
N7 C52 C51 112.0(6) . . ?
N7 C52 H52A 109.2 . . ?
C51 C52 H52A 109.2 . . ?
N7 C52 H52B 109.2 . . ?
C51 C52 H52B 109.2 . . ?
H52A C52 H52B 107.9 . . ?
C54 C53 N7 111.2(6) . . ?
C54 C53 H53A 109.4 . . ?
N7 C53 H53A 109.4 . . ?
C54 C53 H53B 109.4 . . ?
N7 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C59 C54 C55 118.9(8) . . ?
C59 C54 C53 116.9(6) . . ?
C55 C54 C53 124.2(8) . . ?
C56 C55 C54 119.8(9) . . ?
C56 C55 H55 120.1 . . ?
C54 C55 H55 120.1 . . ?
C57 C56 C55 121.3(8) . . ?
C57 C56 H56 119.3 . . ?
C55 C56 H56 119.3 . . ?
C56 C57 C58 120.4(9) . . ?
C56 C57 H57 119.8 . . ?
C58 C57 H57 119.8 . . ?
O12 C58 C57 126.6(8) . . ?
O12 C58 C59 114.9(6) . . ?
C57 C58 C59 118.5(9) . . ?
O11 C59 C54 120.0(6) . . ?
O11 C59 C58 119.3(6) . . ?
C54 C59 C58 120.6(6) . . ?
O12 C60 H60A 109.5 . . ?
O12 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
O12 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O14 Cl1 O13 103.1(17) . . ?
O14 Cl1 O15 110.1(9) . . ?
O13 Cl1 O15 104.6(11) . . ?
O14 Cl1 O16 113.6(10) . . ?
O13 Cl1 O16 106.7(10) . . ?
O15 Cl1 O16 117.3(6) . . ?
O19 Cl2 O20 121.6(17) . . ?
O19 Cl2 O17 104.9(13) . . ?
O20 Cl2 O17 99.6(11) . . ?
O19 Cl2 O18 104.7(10) . . ?
O20 Cl2 O18 106.0(10) . . ?
O17 Cl2 O18 121.3(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O8 Dy1 Zn1 O3 104.6(3) . . . . ?
O11 Dy1 Zn1 O3 -38.32(18) . . . . ?
O5 Dy1 Zn1 O3 -174.7(2) . . . . ?
O9 Dy1 Zn1 O3 -108.13(18) . . . . ?
O10 Dy1 Zn1 O3 -173.76(17) . . . . ?
O4 Dy1 Zn1 O3 35.01(17) . . . . ?
O2 Dy1 Zn1 O3 104.25(18) . . . . ?
Zn2 Dy1 Zn1 O3 -74.46(15) . . . . ?
O8 Dy1 Zn1 O5 -80.7(3) . . . . ?
O11 Dy1 Zn1 O5 136.41(18) . . . . ?
O9 Dy1 Zn1 O5 66.60(18) . . . . ?
O3 Dy1 Zn1 O5 174.7(2) . . . . ?
O10 Dy1 Zn1 O5 0.96(18) . . . . ?
O4 Dy1 Zn1 O5 -150.26(18) . . . . ?
O2 Dy1 Zn1 O5 -81.03(18) . . . . ?
Zn2 Dy1 Zn1 O5 100.26(16) . . . . ?
O8 Dy1 Zn1 N3 100.4(3) . . . . ?
O11 Dy1 Zn1 N3 -42.51(19) . . . . ?
O5 Dy1 Zn1 N3 -178.9(2) . . . . ?
O9 Dy1 Zn1 N3 -112.32(19) . . . . ?
O3 Dy1 Zn1 N3 -4.2(2) . . . . ?
O10 Dy1 Zn1 N3 -177.95(19) . . . . ?
O4 Dy1 Zn1 N3 30.82(19) . . . . ?
O2 Dy1 Zn1 N3 100.05(19) . . . . ?
Zn2 Dy1 Zn1 N3 -78.66(17) . . . . ?
O8 Dy1 Zn1 N1 -2.1(3) . . . . ?
O11 Dy1 Zn1 N1 -145.02(15) . . . . ?
O5 Dy1 Zn1 N1 78.6(2) . . . . ?
O9 Dy1 Zn1 N1 145.17(15) . . . . ?
O3 Dy1 Zn1 N1 -106.7(2) . . . . ?
O10 Dy1 Zn1 N1 79.54(15) . . . . ?
O4 Dy1 Zn1 N1 -71.69(15) . . . . ?
O2 Dy1 Zn1 N1 -2.46(15) . . . . ?
Zn2 Dy1 Zn1 N1 178.83(12) . . . . ?
O8 Dy1 Zn1 N2 -65.6(4) . . . . ?
O11 Dy1 Zn1 N2 151.6(3) . . . . ?
O5 Dy1 Zn1 N2 15.2(3) . . . . ?
O9 Dy1 Zn1 N2 81.8(3) . . . . ?
O3 Dy1 Zn1 N2 -170.1(3) . . . . ?
O10 Dy1 Zn1 N2 16.1(3) . . . . ?
O4 Dy1 Zn1 N2 -135.1(3) . . . . ?
O2 Dy1 Zn1 N2 -65.9(3) . . . . ?
Zn2 Dy1 Zn1 N2 115.4(3) . . . . ?
O8 Dy1 Zn1 N4 -149.6(3) . . . . ?
O11 Dy1 Zn1 N4 67.51(16) . . . . ?
O5 Dy1 Zn1 N4 -68.9(2) . . . . ?
O9 Dy1 Zn1 N4 -2.31(16) . . . . ?
O3 Dy1 Zn1 N4 105.8(2) . . . . ?
O10 Dy1 Zn1 N4 -67.94(16) . . . . ?
O4 Dy1 Zn1 N4 140.83(16) . . . . ?
O2 Dy1 Zn1 N4 -149.93(16) . . . . ?
Zn2 Dy1 Zn1 N4 31.36(13) . . . . ?
O8 Dy1 Zn2 O11 -88.3(2) . . . . ?
O5 Dy1 Zn2 O11 127.91(19) . . . . ?
O9 Dy1 Zn2 O11 166.6(2) . . . . ?
O3 Dy1 Zn2 O11 58.58(19) . . . . ?
O10 Dy1 Zn2 O11 -161.54(19) . . . . ?
O4 Dy1 Zn2 O11 -5.92(19) . . . . ?
O2 Dy1 Zn2 O11 -85.0(3) . . . . ?
Zn1 Dy1 Zn2 O11 91.35(17) . . . . ?
O8 Dy1 Zn2 O9 105.15(19) . . . . ?
O11 Dy1 Zn2 O9 -166.6(2) . . . . ?
O5 Dy1 Zn2 O9 -38.64(18) . . . . ?
O3 Dy1 Zn2 O9 -107.97(18) . . . . ?
O10 Dy1 Zn2 O9 31.91(18) . . . . ?
O4 Dy1 Zn2 O9 -172.47(18) . . . . ?
O2 Dy1 Zn2 O9 108.4(3) . . . . ?
Zn1 Dy1 Zn2 O9 -75.20(16) . . . . ?
O8 Dy1 Zn2 N8 95.1(2) . . . . ?
O11 Dy1 Zn2 N8 -176.6(3) . . . . ?
O5 Dy1 Zn2 N8 -48.7(2) . . . . ?
O9 Dy1 Zn2 N8 -10.0(3) . . . . ?
O3 Dy1 Zn2 N8 -118.0(2) . . . . ?
O10 Dy1 Zn2 N8 21.9(2) . . . . ?
O4 Dy1 Zn2 N8 177.5(2) . . . . ?
O2 Dy1 Zn2 N8 98.4(3) . . . . ?
Zn1 Dy1 Zn2 N8 -85.2(2) . . . . ?
O8 Dy1 Zn2 N5 -3.36(17) . . . . ?
O11 Dy1 Zn2 N5 84.9(2) . . . . ?
O5 Dy1 Zn2 N5 -147.14(16) . . . . ?
O9 Dy1 Zn2 N5 -108.5(2) . . . . ?
O3 Dy1 Zn2 N5 143.52(15) . . . . ?
O10 Dy1 Zn2 N5 -76.59(16) . . . . ?
O4 Dy1 Zn2 N5 79.02(16) . . . . ?
O2 Dy1 Zn2 N5 -0.1(3) . . . . ?
Zn1 Dy1 Zn2 N5 176.29(13) . . . . ?
O8 Dy1 Zn2 N6 -64.2(3) . . . . ?
O11 Dy1 Zn2 N6 24.1(3) . . . . ?
O5 Dy1 Zn2 N6 152.1(3) . . . . ?
O9 Dy1 Zn2 N6 -169.3(3) . . . . ?
O3 Dy1 Zn2 N6 82.7(3) . . . . ?
O10 Dy1 Zn2 N6 -137.4(3) . . . . ?
O4 Dy1 Zn2 N6 18.2(3) . . . . ?
O2 Dy1 Zn2 N6 -60.9(4) . . . . ?
Zn1 Dy1 Zn2 N6 115.5(3) . . . . ?
O8 Dy1 Zn2 N7 -152.59(18) . . . . ?
O11 Dy1 Zn2 N7 -64.3(2) . . . . ?
O5 Dy1 Zn2 N7 63.62(18) . . . . ?
O9 Dy1 Zn2 N7 102.3(2) . . . . ?
O3 Dy1 Zn2 N7 -5.71(17) . . . . ?
O10 Dy1 Zn2 N7 134.17(17) . . . . ?
O4 Dy1 Zn2 N7 -70.21(17) . . . . ?
O2 Dy1 Zn2 N7 -149.3(3) . . . . ?
Zn1 Dy1 Zn2 N7 27.06(15) . . . . ?
O8 Dy1 O2 C7 -164.6(8) . . . . ?
O11 Dy1 O2 C7 133.3(7) . . . . ?
O5 Dy1 O2 C7 -18.1(8) . . . . ?
O9 Dy1 O2 C7 -91.3(8) . . . . ?
O3 Dy1 O2 C7 48.0(8) . . . . ?
O10 Dy1 O2 C7 -89.7(8) . . . . ?
O4 Dy1 O2 C7 105.4(8) . . . . ?
Zn2 Dy1 O2 C7 -168.1(6) . . . . ?
Zn1 Dy1 O2 C7 15.3(8) . . . . ?
O5 Zn1 O3 C21 -159.3(4) . . . . ?
N3 Zn1 O3 C21 20.7(4) . . . . ?
N1 Zn1 O3 C21 -80.6(4) . . . . ?
N2 Zn1 O3 C21 -3.8(11) . . . . ?
N4 Zn1 O3 C21 120.3(4) . . . . ?
Dy1 Zn1 O3 C21 -156.0(4) . . . . ?
O5 Zn1 O3 Dy1 -3.30(14) . . . . ?
N3 Zn1 O3 Dy1 176.67(18) . . . . ?
N1 Zn1 O3 Dy1 75.35(17) . . . . ?
N2 Zn1 O3 Dy1 152.2(8) . . . . ?
N4 Zn1 O3 Dy1 -83.72(18) . . . . ?
O8 Dy1 O3 C21 13.3(5) . . . . ?
O11 Dy1 O3 C21 -61.7(4) . . . . ?
O5 Dy1 O3 C21 157.9(4) . . . . ?
O9 Dy1 O3 C21 -124.9(4) . . . . ?
O10 Dy1 O3 C21 163.8(3) . . . . ?
O4 Dy1 O3 C21 14.9(3) . . . . ?
O2 Dy1 O3 C21 77.3(4) . . . . ?
Zn2 Dy1 O3 C21 -90.5(4) . . . . ?
Zn1 Dy1 O3 C21 154.7(4) . . . . ?
O8 Dy1 O3 Zn1 -141.5(2) . . . . ?
O11 Dy1 O3 Zn1 143.60(16) . . . . ?
O5 Dy1 O3 Zn1 3.17(13) . . . . ?
O9 Dy1 O3 Zn1 80.34(16) . . . . ?
O10 Dy1 O3 Zn1 9.0(3) . . . . ?
O4 Dy1 O3 Zn1 -139.84(19) . . . . ?
O2 Dy1 O3 Zn1 -77.45(16) . . . . ?
Zn2 Dy1 O3 Zn1 114.79(12) . . . . ?
O8 Dy1 O4 C20 165.1(4) . . . . ?
O11 Dy1 O4 C20 74.7(3) . . . . ?
O5 Dy1 O4 C20 -53.1(4) . . . . ?
O9 Dy1 O4 C20 71.2(4) . . . . ?
O3 Dy1 O4 C20 -14.0(3) . . . . ?
O10 Dy1 O4 C20 -153.2(3) . . . . ?
O2 Dy1 O4 C20 -123.8(4) . . . . ?
Zn2 Dy1 O4 C20 78.1(3) . . . . ?
Zn1 Dy1 O4 C20 -34.9(3) . . . . ?
O8 Dy1 O4 C22 -14.3(5) . . . . ?
O11 Dy1 O4 C22 -104.7(5) . . . . ?
O5 Dy1 O4 C22 127.5(5) . . . . ?
O9 Dy1 O4 C22 -108.2(5) . . . . ?
O3 Dy1 O4 C22 166.6(5) . . . . ?
O10 Dy1 O4 C22 27.4(6) . . . . ?
O2 Dy1 O4 C22 56.8(5) . . . . ?
Zn2 Dy1 O4 C22 -101.3(5) . . . . ?
Zn1 Dy1 O4 C22 145.7(5) . . . . ?
O3 Zn1 O5 C29 -161.5(3) . . . . ?
N3 Zn1 O5 C29 -161.6(6) . . . . ?
N1 Zn1 O5 C29 97.4(3) . . . . ?
N2 Zn1 O5 C29 23.2(4) . . . . ?
N4 Zn1 O5 C29 -52.1(3) . . . . ?
Dy1 Zn1 O5 C29 -164.9(4) . . . . ?
O3 Zn1 O5 Dy1 3.38(14) . . . . ?
N3 Zn1 O5 Dy1 3.3(7) . . . . ?
N1 Zn1 O5 Dy1 -97.74(17) . . . . ?
N2 Zn1 O5 Dy1 -171.90(16) . . . . ?
N4 Zn1 O5 Dy1 112.77(18) . . . . ?
O8 Dy1 O5 C29 -53.4(5) . . . . ?
O11 Dy1 O5 C29 99.9(5) . . . . ?
O9 Dy1 O5 C29 43.9(5) . . . . ?
O3 Dy1 O5 C29 155.7(5) . . . . ?
O10 Dy1 O5 C29 -20.1(5) . . . . ?
O4 Dy1 O5 C29 -166.7(5) . . . . ?
O2 Dy1 O5 C29 -104.2(5) . . . . ?
Zn2 Dy1 O5 C29 64.6(5) . . . . ?
Zn1 Dy1 O5 C29 158.9(6) . . . . ?
O8 Dy1 O5 Zn1 147.73(17) . . . . ?
O11 Dy1 O5 Zn1 -59.0(2) . . . . ?
O9 Dy1 O5 Zn1 -115.01(16) . . . . ?
O3 Dy1 O5 Zn1 -3.16(13) . . . . ?
O10 Dy1 O5 Zn1 -179.01(18) . . . . ?
O4 Dy1 O5 Zn1 34.4(2) . . . . ?
O2 Dy1 O5 Zn1 96.87(16) . . . . ?
Zn2 Dy1 O5 Zn1 -94.31(13) . . . . ?
O11 Dy1 O8 C37 -33.2(16) . . . . ?
O5 Dy1 O8 C37 126.7(15) . . . . ?
O9 Dy1 O8 C37 34.1(16) . . . . ?
O3 Dy1 O8 C37 -106.1(16) . . . . ?
O10 Dy1 O8 C37 94.0(16) . . . . ?
O4 Dy1 O8 C37 -107.6(16) . . . . ?
O2 Dy1 O8 C37 -178.0(16) . . . . ?
Zn2 Dy1 O8 C37 0.7(16) . . . . ?
Zn1 Dy1 O8 C37 -178.4(14) . . . . ?
O11 Zn2 O9 C49 -165.5(4) . . . . ?
N8 Zn2 O9 C49 15.1(4) . . . . ?
N5 Zn2 O9 C49 -85.3(4) . . . . ?
N6 Zn2 O9 C49 -14.1(13) . . . . ?
N7 Zn2 O9 C49 114.8(4) . . . . ?
Dy1 Zn2 O9 C49 -156.9(5) . . . . ?
O11 Zn2 O9 Dy1 -8.51(15) . . . . ?
N8 Zn2 O9 Dy1 172.1(2) . . . . ?
N5 Zn2 O9 Dy1 71.69(18) . . . . ?
N6 Zn2 O9 Dy1 142.8(11) . . . . ?
N7 Zn2 O9 Dy1 -88.30(19) . . . . ?
O8 Dy1 O9 C49 79.3(4) . . . . ?
O11 Dy1 O9 C49 164.4(4) . . . . ?
O5 Dy1 O9 C49 -58.6(4) . . . . ?
O3 Dy1 O9 C49 -122.9(4) . . . . ?
O10 Dy1 O9 C49 12.3(4) . . . . ?
O4 Dy1 O9 C49 168.1(3) . . . . ?
O2 Dy1 O9 C49 14.1(5) . . . . ?
Zn2 Dy1 O9 C49 156.4(5) . . . . ?
Zn1 Dy1 O9 C49 -89.3(4) . . . . ?
O8 Dy1 O9 Zn2 -77.05(18) . . . . ?
O11 Dy1 O9 Zn2 8.07(14) . . . . ?
O5 Dy1 O9 Zn2 145.01(16) . . . . ?
O3 Dy1 O9 Zn2 80.70(17) . . . . ?
O10 Dy1 O9 Zn2 -144.1(2) . . . . ?
O4 Dy1 O9 Zn2 11.7(3) . . . . ?
O2 Dy1 O9 Zn2 -142.27(18) . . . . ?
Zn1 Dy1 O9 Zn2 114.33(13) . . . . ?
O8 Dy1 O10 C48 -121.1(4) . . . . ?
O11 Dy1 O10 C48 -45.1(4) . . . . ?
O5 Dy1 O10 C48 81.4(3) . . . . ?
O9 Dy1 O10 C48 -13.3(3) . . . . ?
O3 Dy1 O10 C48 75.7(4) . . . . ?
O4 Dy1 O10 C48 -164.7(3) . . . . ?
O2 Dy1 O10 C48 167.7(4) . . . . ?
Zn2 Dy1 O10 C48 -32.7(3) . . . . ?
Zn1 Dy1 O10 C48 80.8(3) . . . . ?
O8 Dy1 O10 C50 50.5(5) . . . . ?
O11 Dy1 O10 C50 126.5(5) . . . . ?
O5 Dy1 O10 C50 -107.0(5) . . . . ?
O9 Dy1 O10 C50 158.4(5) . . . . ?
O3 Dy1 O10 C50 -112.7(5) . . . . ?
O4 Dy1 O10 C50 6.9(6) . . . . ?
O2 Dy1 O10 C50 -20.6(5) . . . . ?
Zn2 Dy1 O10 C50 139.0(5) . . . . ?
Zn1 Dy1 O10 C50 -107.5(5) . . . . ?
O9 Zn2 O11 C59 -160.5(4) . . . . ?
N8 Zn2 O11 C59 -158.0(7) . . . . ?
N5 Zn2 O11 C59 100.7(4) . . . . ?
N6 Zn2 O11 C59 24.3(4) . . . . ?
N7 Zn2 O11 C59 -51.3(4) . . . . ?
Dy1 Zn2 O11 C59 -169.1(5) . . . . ?
O9 Zn2 O11 Dy1 8.64(15) . . . . ?
N8 Zn2 O11 Dy1 11.1(9) . . . . ?
N5 Zn2 O11 Dy1 -90.20(18) . . . . ?
N6 Zn2 O11 Dy1 -166.6(2) . . . . ?
N7 Zn2 O11 Dy1 117.8(2) . . . . ?
O8 Dy1 O11 C59 -103.5(5) . . . . ?
O5 Dy1 O11 C59 94.0(5) . . . . ?
O9 Dy1 O11 C59 157.3(6) . . . . ?
O3 Dy1 O11 C59 43.6(5) . . . . ?
O10 Dy1 O11 C59 -171.8(5) . . . . ?
O4 Dy1 O11 C59 -20.4(5) . . . . ?
O2 Dy1 O11 C59 -47.3(6) . . . . ?
Zn2 Dy1 O11 C59 165.5(6) . . . . ?
Zn1 Dy1 O11 C59 63.9(5) . . . . ?
O8 Dy1 O11 Zn2 91.05(17) . . . . ?
O5 Dy1 O11 Zn2 -71.5(2) . . . . ?
O9 Dy1 O11 Zn2 -8.15(14) . . . . ?
O3 Dy1 O11 Zn2 -121.85(17) . . . . ?
O10 Dy1 O11 Zn2 22.7(2) . . . . ?
O4 Dy1 O11 Zn2 174.16(19) . . . . ?
O2 Dy1 O11 Zn2 147.17(15) . . . . ?
Zn1 Dy1 O11 Zn2 -101.57(14) . . . . ?
O3 Zn1 N1 C8 18.9(4) . . . . ?
O5 Zn1 N1 C8 92.8(4) . . . . ?
N3 Zn1 N1 C8 -72.0(4) . . . . ?
N2 Zn1 N1 C8 -150.8(4) . . . . ?
N4 Zn1 N1 C8 160.4(4) . . . . ?
Dy1 Zn1 N1 C8 55.9(4) . . . . ?
O3 Zn1 N1 C9 155.4(4) . . . . ?
O5 Zn1 N1 C9 -130.7(4) . . . . ?
N3 Zn1 N1 C9 64.6(4) . . . . ?
N2 Zn1 N1 C9 -14.2(4) . . . . ?
N4 Zn1 N1 C9 -63.1(5) . . . . ?
Dy1 Zn1 N1 C9 -167.6(4) . . . . ?
O3 Zn1 N2 C13 148.1(8) . . . . ?
O5 Zn1 N2 C13 -58.0(4) . . . . ?
N3 Zn1 N2 C13 123.2(4) . . . . ?
N1 Zn1 N2 C13 -133.4(4) . . . . ?
N4 Zn1 N2 C13 21.7(4) . . . . ?
Dy1 Zn1 N2 C13 -68.0(5) . . . . ?
O3 Zn1 N2 C10 -92.2(9) . . . . ?
O5 Zn1 N2 C10 61.7(4) . . . . ?
N3 Zn1 N2 C10 -117.0(4) . . . . ?
N1 Zn1 N2 C10 -13.6(4) . . . . ?
N4 Zn1 N2 C10 141.5(4) . . . . ?
Dy1 Zn1 N2 C10 51.8(5) . . . . ?
O3 Zn1 N2 C11 26.5(11) . . . . ?
O5 Zn1 N2 C11 -179.6(4) . . . . ?
N3 Zn1 N2 C11 1.7(4) . . . . ?
N1 Zn1 N2 C11 105.0(4) . . . . ?
N4 Zn1 N2 C11 -99.9(4) . . . . ?
Dy1 Zn1 N2 C11 170.4(3) . . . . ?
O3 Zn1 N3 C12 157.2(4) . . . . ?
O5 Zn1 N3 C12 157.3(5) . . . . ?
N1 Zn1 N3 C12 -104.4(4) . . . . ?
N2 Zn1 N3 C12 -27.2(4) . . . . ?
N4 Zn1 N3 C12 49.6(4) . . . . ?
Dy1 Zn1 N3 C12 159.8(3) . . . . ?
O3 Zn1 N3 C15 31.8(4) . . . . ?
O5 Zn1 N3 C15 31.9(8) . . . . ?
N1 Zn1 N3 C15 130.3(4) . . . . ?
N2 Zn1 N3 C15 -152.5(4) . . . . ?
N4 Zn1 N3 C15 -75.8(4) . . . . ?
Dy1 Zn1 N3 C15 34.4(4) . . . . ?
O3 Zn1 N4 C14 -167.6(4) . . . . ?
O5 Zn1 N4 C14 119.1(4) . . . . ?
N3 Zn1 N4 C14 -75.5(4) . . . . ?
N1 Zn1 N4 C14 52.6(6) . . . . ?
N2 Zn1 N4 C14 3.6(4) . . . . ?
Dy1 Zn1 N4 C14 153.6(4) . . . . ?
O3 Zn1 N4 C23 67.5(4) . . . . ?
O5 Zn1 N4 C23 -5.8(4) . . . . ?
N3 Zn1 N4 C23 159.6(4) . . . . ?
N1 Zn1 N4 C23 -72.3(5) . . . . ?
N2 Zn1 N4 C23 -121.3(4) . . . . ?
Dy1 Zn1 N4 C23 28.7(4) . . . . ?
O11 Zn2 N5 C39 -123.3(4) . . . . ?
O9 Zn2 N5 C39 161.3(4) . . . . ?
N8 Zn2 N5 C39 70.7(4) . . . . ?
N6 Zn2 N5 C39 -9.7(4) . . . . ?
N7 Zn2 N5 C39 -58.1(6) . . . . ?
Dy1 Zn2 N5 C39 -161.8(4) . . . . ?
O11 Zn2 N5 C38 99.2(4) . . . . ?
O9 Zn2 N5 C38 23.9(4) . . . . ?
N8 Zn2 N5 C38 -66.8(4) . . . . ?
N6 Zn2 N5 C38 -147.2(4) . . . . ?
N7 Zn2 N5 C38 164.4(4) . . . . ?
Dy1 Zn2 N5 C38 60.7(4) . . . . ?
O11 Zn2 N6 C51 -59.2(5) . . . . ?
O9 Zn2 N6 C51 150.9(10) . . . . ?
N8 Zn2 N6 C51 121.3(5) . . . . ?
N5 Zn2 N6 C51 -136.7(5) . . . . ?
N7 Zn2 N6 C51 20.2(4) . . . . ?
Dy1 Zn2 N6 C51 -75.0(6) . . . . ?
O11 Zn2 N6 C40 60.4(5) . . . . ?
O9 Zn2 N6 C40 -89.5(12) . . . . ?
N8 Zn2 N6 C40 -119.0(4) . . . . ?
N5 Zn2 N6 C40 -17.1(4) . . . . ?
N7 Zn2 N6 C40 139.8(4) . . . . ?
Dy1 Zn2 N6 C40 44.6(6) . . . . ?
O11 Zn2 N6 C41 179.2(5) . . . . ?
O9 Zn2 N6 C41 29.3(14) . . . . ?
N8 Zn2 N6 C41 -0.2(5) . . . . ?
N5 Zn2 N6 C41 101.8(5) . . . . ?
N7 Zn2 N6 C41 -101.3(5) . . . . ?
Dy1 Zn2 N6 C41 163.4(4) . . . . ?
O11 Zn2 N7 C52 117.7(4) . . . . ?
O9 Zn2 N7 C52 -168.3(4) . . . . ?
N8 Zn2 N7 C52 -75.9(5) . . . . ?
N5 Zn2 N7 C52 53.1(6) . . . . ?
N6 Zn2 N7 C52 4.3(4) . . . . ?
Dy1 Zn2 N7 C52 151.8(4) . . . . ?
O11 Zn2 N7 C53 -7.5(4) . . . . ?
O9 Zn2 N7 C53 66.5(5) . . . . ?
N8 Zn2 N7 C53 158.8(4) . . . . ?
N5 Zn2 N7 C53 -72.2(6) . . . . ?
N6 Zn2 N7 C53 -120.9(5) . . . . ?
Dy1 Zn2 N7 C53 26.5(5) . . . . ?
O11 Zn2 N8 C43 33.0(10) . . . . ?
O9 Zn2 N8 C43 35.4(4) . . . . ?
N5 Zn2 N8 C43 132.1(4) . . . . ?
N6 Zn2 N8 C43 -149.2(4) . . . . ?
N7 Zn2 N8 C43 -71.9(4) . . . . ?
Dy1 Zn2 N8 C43 41.7(5) . . . . ?
O11 Zn2 N8 C42 156.6(7) . . . . ?
O9 Zn2 N8 C42 159.0(5) . . . . ?
N5 Zn2 N8 C42 -104.3(5) . . . . ?
N6 Zn2 N8 C42 -25.6(5) . . . . ?
N7 Zn2 N8 C42 51.7(5) . . . . ?
Dy1 Zn2 N8 C42 165.3(4) . . . . ?
C1 O1 C2 C3 9.0(10) . . . . ?
C1 O1 C2 C7 -169.3(7) . . . . ?
O1 C2 C3 C4 -178.5(6) . . . . ?
C7 C2 C3 C4 -0.2(9) . . . . ?
C2 C3 C4 C5 0.8(10) . . . . ?
C3 C4 C5 C6 -0.5(11) . . . . ?
C4 C5 C6 C7 -0.4(10) . . . . ?
C4 C5 C6 C8 172.5(6) . . . . ?
Dy1 O2 C7 C6 -42.9(10) . . . . ?
Dy1 O2 C7 C2 135.1(7) . . . . ?
C5 C6 C7 O2 178.9(5) . . . . ?
C8 C6 C7 O2 6.1(8) . . . . ?
C5 C6 C7 C2 1.0(9) . . . . ?
C8 C6 C7 C2 -171.9(5) . . . . ?
O1 C2 C7 O2 -0.2(8) . . . . ?
C3 C2 C7 O2 -178.7(5) . . . . ?
O1 C2 C7 C6 177.8(5) . . . . ?
C3 C2 C7 C6 -0.7(9) . . . . ?
C9 N1 C8 C6 85.2(6) . . . . ?
Zn1 N1 C8 C6 -139.0(4) . . . . ?
C5 C6 C8 N1 -85.7(7) . . . . ?
C7 C6 C8 N1 86.9(7) . . . . ?
C8 N1 C9 C10 178.4(5) . . . . ?
Zn1 N1 C9 C10 39.0(6) . . . . ?
C13 N2 C10 C9 157.4(5) . . . . ?
C11 N2 C10 C9 -76.5(6) . . . . ?
Zn1 N2 C10 C9 39.6(6) . . . . ?
N1 C9 C10 N2 -53.3(7) . . . . ?
C13 N2 C11 C12 -94.4(6) . . . . ?
C10 N2 C11 C12 140.5(6) . . . . ?
Zn1 N2 C11 C12 24.1(6) . . . . ?
C15 N3 C12 C11 172.8(5) . . . . ?
Zn1 N3 C12 C11 48.7(6) . . . . ?
N2 C11 C12 N3 -49.9(7) . . . . ?
C10 N2 C13 C14 -161.7(5) . . . . ?
C11 N2 C13 C14 73.3(6) . . . . ?
Zn1 N2 C13 C14 -44.4(6) . . . . ?
C23 N4 C14 C13 96.7(6) . . . . ?
Zn1 N4 C14 C13 -28.3(6) . . . . ?
N2 C13 C14 N4 50.0(7) . . . . ?
C12 N3 C15 C16 167.4(5) . . . . ?
Zn1 N3 C15 C16 -70.9(5) . . . . ?
N3 C15 C16 C17 -118.6(6) . . . . ?
N3 C15 C16 C21 58.9(7) . . . . ?
C21 C16 C17 C18 0.4(10) . . . . ?
C15 C16 C17 C18 177.9(6) . . . . ?
C16 C17 C18 C19 -1.5(11) . . . . ?
C17 C18 C19 C20 0.2(10) . . . . ?
C18 C19 C20 O4 -179.4(5) . . . . ?
C18 C19 C20 C21 2.1(9) . . . . ?
C22 O4 C20 C19 13.4(8) . . . . ?
Dy1 O4 C20 C19 -166.1(4) . . . . ?
C22 O4 C20 C21 -168.0(5) . . . . ?
Dy1 O4 C20 C21 12.6(5) . . . . ?
Zn1 O3 C21 C16 -41.6(6) . . . . ?
Dy1 O3 C21 C16 166.8(4) . . . . ?
Zn1 O3 C21 C20 136.9(4) . . . . ?
Dy1 O3 C21 C20 -14.8(6) . . . . ?
C17 C16 C21 O3 -179.6(5) . . . . ?
C15 C16 C21 O3 2.8(8) . . . . ?
C17 C16 C21 C20 1.9(8) . . . . ?
C15 C16 C21 C20 -175.7(5) . . . . ?
C19 C20 C21 O3 178.3(5) . . . . ?
O4 C20 C21 O3 -0.4(7) . . . . ?
C19 C20 C21 C16 -3.1(8) . . . . ?
O4 C20 C21 C16 178.1(5) . . . . ?
C14 N4 C23 C24 -66.4(6) . . . . ?
Zn1 N4 C23 C24 57.7(5) . . . . ?
N4 C23 C24 C29 -64.3(7) . . . . ?
N4 C23 C24 C25 110.6(6) . . . . ?
C29 C24 C25 C26 1.1(10) . . . . ?
C23 C24 C25 C26 -173.7(6) . . . . ?
C24 C25 C26 C27 2.8(11) . . . . ?
C25 C26 C27 C28 -3.2(10) . . . . ?
C30 O6 C28 C27 -8.0(9) . . . . ?
C30 O6 C28 C29 170.5(6) . . . . ?
C26 C27 C28 O6 178.3(6) . . . . ?
C26 C27 C28 C29 -0.2(9) . . . . ?
Zn1 O5 C29 C24 69.1(5) . . . . ?
Dy1 O5 C29 C24 -89.6(6) . . . . ?
Zn1 O5 C29 C28 -108.5(5) . . . . ?
Dy1 O5 C29 C28 92.9(6) . . . . ?
C25 C24 C29 O5 178.0(5) . . . . ?
C23 C24 C29 O5 -7.0(8) . . . . ?
C25 C24 C29 C28 -4.4(8) . . . . ?
C23 C24 C29 C28 170.6(5) . . . . ?
O6 C28 C29 O5 3.0(7) . . . . ?
C27 C28 C29 O5 -178.4(5) . . . . ?
O6 C28 C29 C24 -174.6(5) . . . . ?
C27 C28 C29 C24 4.0(8) . . . . ?
C31 O7 C32 C33 2.3(9) . . . . ?
C31 O7 C32 C37 -177.1(6) . . . . ?
O7 C32 C33 C34 178.7(6) . . . . ?
C37 C32 C33 C34 -2.0(9) . . . . ?
C32 C33 C34 C35 0.6(10) . . . . ?
C33 C34 C35 C36 -0.5(10) . . . . ?
C34 C35 C36 C37 1.9(10) . . . . ?
C34 C35 C36 C38 -179.5(6) . . . . ?
Dy1 O8 C37 C36 -22.3(19) . . . . ?
Dy1 O8 C37 C32 158.1(13) . . . . ?
C35 C36 C37 O8 177.3(5) . . . . ?
C38 C36 C37 O8 -1.4(9) . . . . ?
C35 C36 C37 C32 -3.2(9) . . . . ?
C38 C36 C37 C32 178.2(5) . . . . ?
O7 C32 C37 O8 2.3(8) . . . . ?
C33 C32 C37 O8 -177.2(5) . . . . ?
O7 C32 C37 C36 -177.3(5) . . . . ?
C33 C32 C37 C36 3.3(9) . . . . ?
C39 N5 C38 C36 90.5(6) . . . . ?
Zn2 N5 C38 C36 -133.4(5) . . . . ?
C35 C36 C38 N5 -100.4(7) . . . . ?
C37 C36 C38 N5 78.2(7) . . . . ?
C38 N5 C39 C40 174.8(5) . . . . ?
Zn2 N5 C39 C40 34.4(7) . . . . ?
C51 N6 C40 C39 160.0(5) . . . . ?
C41 N6 C40 C39 -73.2(7) . . . . ?
Zn2 N6 C40 C39 42.1(6) . . . . ?
N5 C39 C40 N6 -52.8(7) . . . . ?
C51 N6 C41 C42 -92.4(7) . . . . ?
C40 N6 C41 C42 141.6(7) . . . . ?
Zn2 N6 C41 C42 26.4(8) . . . . ?
C43 N8 C42 C41 169.7(6) . . . . ?
Zn2 N8 C42 C41 47.6(7) . . . . ?
N6 C41 C42 N8 -51.2(9) . . . . ?
C42 N8 C43 C44 169.3(5) . . . . ?
Zn2 N8 C43 C44 -71.1(6) . . . . ?
N8 C43 C44 C45 -123.7(6) . . . . ?
N8 C43 C44 C49 54.8(8) . . . . ?
C49 C44 C45 C46 0.8(10) . . . . ?
C43 C44 C45 C46 179.3(6) . . . . ?
C44 C45 C46 C47 -3.0(10) . . . . ?
C45 C46 C47 C48 0.9(10) . . . . ?
C46 C47 C48 O10 -178.8(6) . . . . ?
C46 C47 C48 C49 3.4(9) . . . . ?
C50 O10 C48 C47 23.1(8) . . . . ?
Dy1 O10 C48 C47 -164.3(5) . . . . ?
C50 O10 C48 C49 -159.0(5) . . . . ?
Dy1 O10 C48 C49 13.6(6) . . . . ?
Zn2 O9 C49 C44 -37.9(7) . . . . ?
Dy1 O9 C49 C44 169.4(4) . . . . ?
Zn2 O9 C49 C48 142.4(4) . . . . ?
Dy1 O9 C49 C48 -10.3(7) . . . . ?
C45 C44 C49 O9 -176.3(5) . . . . ?
C43 C44 C49 O9 5.2(9) . . . . ?
C45 C44 C49 C48 3.4(8) . . . . ?
C43 C44 C49 C48 -175.1(5) . . . . ?
C47 C48 C49 O9 174.1(5) . . . . ?
O10 C48 C49 O9 -3.9(7) . . . . ?
C47 C48 C49 C44 -5.6(8) . . . . ?
O10 C48 C49 C44 176.4(5) . . . . ?
C40 N6 C51 C52 -158.9(5) . . . . ?
C41 N6 C51 C52 74.9(7) . . . . ?
Zn2 N6 C51 C52 -42.5(6) . . . . ?
C53 N7 C52 C51 97.4(7) . . . . ?
Zn2 N7 C52 C51 -28.0(7) . . . . ?
N6 C51 C52 N7 48.4(8) . . . . ?
C52 N7 C53 C54 -65.6(7) . . . . ?
Zn2 N7 C53 C54 58.5(6) . . . . ?
N7 C53 C54 C59 -62.5(7) . . . . ?
N7 C53 C54 C55 114.3(7) . . . . ?
C59 C54 C55 C56 2.3(11) . . . . ?
C53 C54 C55 C56 -174.5(7) . . . . ?
C54 C55 C56 C57 3.0(13) . . . . ?
C55 C56 C57 C58 -3.6(13) . . . . ?
C60 O12 C58 C57 -8.5(11) . . . . ?
C60 O12 C58 C59 171.4(7) . . . . ?
C56 C57 C58 O12 178.7(7) . . . . ?
C56 C57 C58 C59 -1.2(11) . . . . ?
Zn2 O11 C59 C54 69.0(6) . . . . ?
Dy1 O11 C59 C54 -95.8(6) . . . . ?
Zn2 O11 C59 C58 -107.9(5) . . . . ?
Dy1 O11 C59 C58 87.2(7) . . . . ?
C55 C54 C59 O11 176.0(6) . . . . ?
C53 C54 C59 O11 -7.0(8) . . . . ?
C55 C54 C59 C58 -7.1(9) . . . . ?
C53 C54 C59 C58 170.0(6) . . . . ?
O12 C58 C59 O11 3.6(8) . . . . ?
C57 C58 C59 O11 -176.5(6) . . . . ?
O12 C58 C59 C54 -173.4(6) . . . . ?
C57 C58 C59 C54 6.5(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.162
_refine_diff_density_min         -1.083
_refine_diff_density_rms         0.103
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 1508574'
_audit_update_record             
;
2016-10-06 deposited with the CCDC.
2016-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H79 Cl2 Gd N8 O21 Zn2'
_chemical_formula_weight         1607.20

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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   P2(1)/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                   14.2829(19)
_cell_length_b                   14.229(2)
_cell_length_c                   31.389(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.138(3)
_cell_angle_gamma                90.00
_cell_volume                     6378.1(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    9680
_cell_measurement_theta_min      2.94
_cell_measurement_theta_max      27.31

_exptl_crystal_description       strip-type
_exptl_crystal_colour            gray
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3284
_exptl_absorpt_coefficient_mu    1.941
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      299(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            77187
_diffrn_reflns_av_R_equivalents  0.0600
_diffrn_reflns_av_sigmaI/netI    0.0899
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.79
_diffrn_reflns_theta_max         27.60
_reflns_number_total             14547
_reflns_number_gt                10148
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_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. 
;

_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)+(0.0249P)²+47.2924P] 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         14547
_refine_ls_number_parameters     865
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1158
_refine_ls_R_factor_gt           0.0662
_refine_ls_wR_factor_ref         0.1255
_refine_ls_wR_factor_gt          0.1110
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.000
_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 0.254484(19) 0.88519(2) 0.102512(9) 0.01492(8) Uani 1 1 d . . .
Zn1 Zn 0.34898(4) 0.65136(5) 0.10881(2) 0.01701(16) Uani 1 1 d . . .
Zn2 Zn 0.16081(5) 0.95752(5) 0.20044(2) 0.01862(16) Uani 1 1 d . . .
O1 O 0.2181(3) 0.9501(3) -0.04832(14) 0.0309(11) Uani 1 1 d . . .
O2 O 0.3036(3) 0.8966(3) 0.02298(13) 0.0235(10) Uani 1 1 d D . .
H2 H 0.287(5) 0.9528(16) 0.0180(10) 0.035 Uiso 1 1 d D . .
O3 O 0.3786(2) 0.7888(3) 0.12754(12) 0.0166(9) Uani 1 1 d . . .
O4 O 0.4236(3) 0.9522(3) 0.09787(12) 0.0180(9) Uani 1 1 d . . .
O5 O 0.2305(3) 0.7271(3) 0.08902(12) 0.0166(9) Uani 1 1 d . . .
O6 O 0.1767(3) 0.6947(3) 0.00863(13) 0.0217(10) Uani 1 1 d . . .
O7 O 0.2828(3) 1.1078(3) 0.00929(13) 0.0280(10) Uani 1 1 d . . .
O8 O 0.2146(3) 1.0220(3) 0.07580(13) 0.0225(10) Uani 1 1 d . . .
O9 O 0.1301(2) 0.8706(3) 0.14915(12) 0.0166(9) Uani 1 1 d . . .
O10 O 0.0886(3) 0.8625(3) 0.06782(12) 0.0192(9) Uani 1 1 d . . .
O11 O 0.2837(2) 0.9588(3) 0.16706(12) 0.0165(9) Uani 1 1 d . . .
O12 O 0.3558(3) 1.1271(3) 0.15436(17) 0.0392(13) Uani 1 1 d . . .
N1 N 0.3795(3) 0.6658(3) 0.04174(16) 0.0209(12) Uani 1 1 d . . .
H1 H 0.3221 0.6780 0.0300 0.025 Uiso 1 1 calc R . .
N2 N 0.3454(3) 0.5009(4) 0.08837(15) 0.0206(12) Uani 1 1 d . . .
N3 N 0.4802(3) 0.6088(4) 0.13446(15) 0.0214(11) Uani 1 1 d . . .
H3 H 0.5237 0.6171 0.1140 0.026 Uiso 1 1 calc R . .
N4 N 0.2545(3) 0.5884(3) 0.15845(16) 0.0200(12) Uani 1 1 d . . .
H4 H 0.2817 0.5990 0.1845 0.024 Uiso 1 1 calc R . .
N5 N 0.1391(3) 1.0907(3) 0.16666(16) 0.0205(12) Uani 1 1 d . . .
H5 H 0.1962 1.1021 0.1554 0.025 Uiso 1 1 calc R . .
N6 N 0.1707(3) 1.0549(4) 0.25465(16) 0.0245(12) Uani 1 1 d . . .
N7 N 0.2441(4) 0.8687(4) 0.24830(15) 0.0265(13) Uani 1 1 d . . .
H7 H 0.2105 0.8154 0.2529 0.032 Uiso 1 1 calc R . .
N8 N 0.0245(4) 0.9351(4) 0.22341(16) 0.0258(13) Uani 1 1 d . . .
H8 H -0.0156 0.9754 0.2099 0.031 Uiso 1 1 calc R . .
C1 C 0.1579(5) 0.9679(6) -0.0850(2) 0.043(2) Uani 1 1 d . . .
H1A H 0.1939 0.9957 -0.1073 0.065 Uiso 1 1 calc R . .
H1B H 0.1086 1.0100 -0.0773 0.065 Uiso 1 1 calc R . .
H1C H 0.1313 0.9097 -0.0950 0.065 Uiso 1 1 calc R . .
C2 C 0.2845(4) 0.8826(5) -0.05294(19) 0.0252(14) Uani 1 1 d . . .
C3 C 0.3073(5) 0.8393(5) -0.0911(2) 0.0286(16) Uani 1 1 d . . .
H3A H 0.2771 0.8569 -0.1164 0.034 Uiso 1 1 calc R . .
C4 C 0.3745(5) 0.7707(5) -0.0912(2) 0.0313(17) Uani 1 1 d . . .
H4A H 0.3901 0.7420 -0.1167 0.038 Uiso 1 1 calc R . .
C5 C 0.4194(5) 0.7435(5) -0.0538(2) 0.0294(16) Uani 1 1 d . . .
H5A H 0.4652 0.6972 -0.0546 0.035 Uiso 1 1 calc R . .
C6 C 0.3975(4) 0.7840(5) -0.01532(19) 0.0231(14) Uani 1 1 d . . .
C7 C 0.3300(4) 0.8542(5) -0.0151(2) 0.0256(15) Uani 1 1 d D . .
C8 C 0.4361(4) 0.7453(5) 0.0263(2) 0.0256(15) Uani 1 1 d . . .
H8A H 0.5000 0.7245 0.0223 0.031 Uiso 1 1 calc R . .
H8B H 0.4371 0.7947 0.0475 0.031 Uiso 1 1 calc R . .
C9 C 0.4032(5) 0.5738(5) 0.0226(2) 0.0295(16) Uani 1 1 d . . .
H9A H 0.4684 0.5588 0.0285 0.035 Uiso 1 1 calc R . .
H9B H 0.3937 0.5764 -0.0081 0.035 Uiso 1 1 calc R . .
C10 C 0.3406(5) 0.4987(5) 0.04137(19) 0.0258(15) Uani 1 1 d . . .
H10A H 0.2764 0.5090 0.0317 0.031 Uiso 1 1 calc R . .
H10B H 0.3601 0.4374 0.0314 0.031 Uiso 1 1 calc R . .
C11 C 0.4331(4) 0.4577(5) 0.1047(2) 0.0285(16) Uani 1 1 d . . .
H11A H 0.4788 0.4578 0.0823 0.034 Uiso 1 1 calc R . .
H11B H 0.4209 0.3929 0.1123 0.034 Uiso 1 1 calc R . .
C12 C 0.4741(4) 0.5087(4) 0.1434(2) 0.0261(15) Uani 1 1 d . . .
H12A H 0.4347 0.4984 0.1678 0.031 Uiso 1 1 calc R . .
H12B H 0.5359 0.4841 0.1502 0.031 Uiso 1 1 calc R . .
C13 C 0.2613(4) 0.4580(4) 0.1062(2) 0.0243(14) Uani 1 1 d . . .
H13A H 0.2662 0.3902 0.1042 0.029 Uiso 1 1 calc R . .
H13B H 0.2069 0.4775 0.0895 0.029 Uiso 1 1 calc R . .
C14 C 0.2476(4) 0.4852(4) 0.1525(2) 0.0252(15) Uani 1 1 d . . .
H14A H 0.1866 0.4639 0.1615 0.030 Uiso 1 1 calc R . .
H14B H 0.2947 0.4544 0.1702 0.030 Uiso 1 1 calc R . .
C15 C 0.5083(4) 0.6664(4) 0.1716(2) 0.0229(14) Uani 1 1 d . . .
H15A H 0.5616 0.6377 0.1861 0.027 Uiso 1 1 calc R . .
H15B H 0.4571 0.6697 0.1914 0.027 Uiso 1 1 calc R . .
C16 C 0.5334(4) 0.7627(4) 0.15736(19) 0.0211(14) Uani 1 1 d . . .
C17 C 0.6233(4) 0.7990(5) 0.1640(2) 0.0269(15) Uani 1 1 d . . .
H17 H 0.6679 0.7626 0.1783 0.032 Uiso 1 1 calc R . .
C18 C 0.6473(4) 0.8864(5) 0.1501(2) 0.0269(14) Uani 1 1 d . . .
H18 H 0.7071 0.9096 0.1558 0.032 Uiso 1 1 calc R . .
C19 C 0.5827(4) 0.9405(5) 0.1276(2) 0.0237(14) Uani 1 1 d . . .
H19 H 0.5990 0.9997 0.1176 0.028 Uiso 1 1 calc R . .
C20 C 0.4943(4) 0.9054(4) 0.12008(18) 0.0179(13) Uani 1 1 d . . .
C21 C 0.4674(4) 0.8180(5) 0.13514(18) 0.0196(14) Uani 1 1 d . . .
C22 C 0.4510(4) 1.0347(5) 0.0748(2) 0.0263(15) Uani 1 1 d . . .
H22A H 0.3975 1.0605 0.0600 0.039 Uiso 1 1 calc R . .
H22B H 0.4980 1.0183 0.0547 0.039 Uiso 1 1 calc R . .
H22C H 0.4760 1.0805 0.0944 0.039 Uiso 1 1 calc R . .
C23 C 0.1596(4) 0.6340(4) 0.15815(19) 0.0208(14) Uani 1 1 d . . .
H23A H 0.1208 0.6045 0.1794 0.025 Uiso 1 1 calc R . .
H23B H 0.1660 0.7000 0.1653 0.025 Uiso 1 1 calc R . .
C24 C 0.1141(4) 0.6243(4) 0.11509(19) 0.0196(13) Uani 1 1 d . . .
C25 C 0.0354(4) 0.5684(4) 0.1073(2) 0.0235(15) Uani 1 1 d . . .
H25 H 0.0055 0.5398 0.1300 0.028 Uiso 1 1 calc R . .
C26 C 0.0021(4) 0.5555(5) 0.0666(2) 0.0260(15) Uani 1 1 d . . .
H26 H -0.0511 0.5191 0.0617 0.031 Uiso 1 1 calc R . .
C27 C 0.0471(4) 0.5962(4) 0.0326(2) 0.0230(14) Uani 1 1 d . . .
H27 H 0.0250 0.5858 0.0049 0.028 Uiso 1 1 calc R . .
C28 C 0.1246(4) 0.6524(4) 0.03976(19) 0.0199(13) Uani 1 1 d . . .
C29 C 0.1567(4) 0.6708(4) 0.08139(19) 0.0181(13) Uani 1 1 d . . .
C30 C 0.1574(4) 0.6675(5) -0.03448(19) 0.0287(16) Uani 1 1 d . . .
H30A H 0.2008 0.6980 -0.0529 0.043 Uiso 1 1 calc R . .
H30B H 0.0947 0.6857 -0.0424 0.043 Uiso 1 1 calc R . .
H30C H 0.1637 0.6006 -0.0371 0.043 Uiso 1 1 calc R . .
C31 C 0.3178(5) 1.1508(6) -0.0280(2) 0.041(2) Uani 1 1 d . . .
H31A H 0.2673 1.1609 -0.0481 0.061 Uiso 1 1 calc R . .
H31B H 0.3638 1.1107 -0.0404 0.061 Uiso 1 1 calc R . .
H31C H 0.3460 1.2100 -0.0206 0.061 Uiso 1 1 calc R . .
C32 C 0.2187(4) 1.1575(5) 0.0326(2) 0.0231(14) Uani 1 1 d . . .
C33 C 0.1901(5) 1.2477(5) 0.0233(2) 0.0280(16) Uani 1 1 d . . .
H33 H 0.2148 1.2797 0.0003 0.034 Uiso 1 1 calc R . .
C34 C 0.1234(5) 1.2907(5) 0.0490(2) 0.0330(17) Uani 1 1 d . . .
H34 H 0.1039 1.3518 0.0431 0.040 Uiso 1 1 calc R . .
C35 C 0.0868(4) 1.2430(5) 0.0828(2) 0.0282(16) Uani 1 1 d . . .
H35 H 0.0427 1.2723 0.0997 0.034 Uiso 1 1 calc R . .
C36 C 0.1148(4) 1.1509(5) 0.0923(2) 0.0228(14) Uani 1 1 d . . .
C37 C 0.1836(4) 1.1078(5) 0.0677(2) 0.0216(13) Uani 1 1 d . . .
C38 C 0.0751(4) 1.0967(5) 0.1289(2) 0.0253(15) Uani 1 1 d . . .
H38A H 0.0171 1.1263 0.1373 0.030 Uiso 1 1 calc R . .
H38B H 0.0602 1.0336 0.1193 0.030 Uiso 1 1 calc R . .
C39 C 0.1286(4) 1.1682(5) 0.1968(2) 0.0276(16) Uani 1 1 d . . .
H39A H 0.0634 1.1744 0.2045 0.033 Uiso 1 1 calc R . .
H39B H 0.1483 1.2267 0.1838 0.033 Uiso 1 1 calc R . .
C40 C 0.1886(5) 1.1482(5) 0.2364(2) 0.0325(17) Uani 1 1 d . . .
H40A H 0.2541 1.1527 0.2291 0.039 Uiso 1 1 calc R . .
H40B H 0.1762 1.1958 0.2577 0.039 Uiso 1 1 calc R . .
C41 C 0.0782(5) 1.0515(5) 0.2756(2) 0.0324(17) Uani 1 1 d . . .
H41A H 0.0390 1.1017 0.2644 0.039 Uiso 1 1 calc R . .
H41B H 0.0873 1.0621 0.3060 0.039 Uiso 1 1 calc R . .
C42 C 0.0281(5) 0.9583(5) 0.2689(2) 0.0345(18) Uani 1 1 d . . .
H42A H 0.0609 0.9092 0.2846 0.041 Uiso 1 1 calc R . .
H42B H -0.0350 0.9625 0.2797 0.041 Uiso 1 1 calc R . .
C43 C -0.0069(4) 0.8373(5) 0.21491(19) 0.0266(15) Uani 1 1 d . . .
H43A H -0.0635 0.8248 0.2305 0.032 Uiso 1 1 calc R . .
H43B H 0.0410 0.7938 0.2249 0.032 Uiso 1 1 calc R . .
C44 C -0.0257(4) 0.8217(4) 0.16814(19) 0.0203(14) Uani 1 1 d . . .
C45 C -0.1117(4) 0.7869(5) 0.1539(2) 0.0248(15) Uani 1 1 d . . .
H45 H -0.1574 0.7733 0.1737 0.030 Uiso 1 1 calc R . .
C46 C -0.1310(4) 0.7721(5) 0.1116(2) 0.0252(15) Uani 1 1 d . . .
H46 H -0.1877 0.7453 0.1031 0.030 Uiso 1 1 calc R . .
C47 C -0.0659(4) 0.7970(4) 0.0815(2) 0.0221(14) Uani 1 1 d . . .
H47 H -0.0794 0.7891 0.0526 0.027 Uiso 1 1 calc R . .
C48 C 0.0188(4) 0.8336(4) 0.09482(19) 0.0185(13) Uani 1 1 d . . .
C49 C 0.0428(4) 0.8424(4) 0.13814(19) 0.0183(13) Uani 1 1 d . . .
C50 C 0.0589(4) 0.8847(5) 0.02502(18) 0.0283(15) Uani 1 1 d . . .
H50A H 0.1096 0.9139 0.0103 0.042 Uiso 1 1 calc R . .
H50B H 0.0066 0.9271 0.0257 0.042 Uiso 1 1 calc R . .
H50C H 0.0407 0.8281 0.0105 0.042 Uiso 1 1 calc R . .
C51 C 0.2484(5) 1.0255(5) 0.2830(2) 0.0321(17) Uani 1 1 d . . .
H51A H 0.2420 1.0557 0.3104 0.039 Uiso 1 1 calc R . .
H51B H 0.3071 1.0461 0.2710 0.039 Uiso 1 1 calc R . .
C52 C 0.2513(5) 0.9194(5) 0.2892(2) 0.0358(18) Uani 1 1 d . . .
H52A H 0.3094 0.9023 0.3037 0.043 Uiso 1 1 calc R . .
H52B H 0.2000 0.9006 0.3071 0.043 Uiso 1 1 calc R . .
C53 C 0.3372(5) 0.8394(5) 0.2320(2) 0.0290(16) Uani 1 1 d . . .
H53A H 0.3283 0.8005 0.2069 0.035 Uiso 1 1 calc R . .
H53B H 0.3699 0.8023 0.2536 0.035 Uiso 1 1 calc R . .
C54 C 0.3950(4) 0.9233(5) 0.2211(2) 0.0280(16) Uani 1 1 d . . .
C55 C 0.4788(5) 0.9470(6) 0.2422(2) 0.041(2) Uani 1 1 d . . .
H55 H 0.5040 0.9069 0.2628 0.049 Uiso 1 1 calc R . .
C56 C 0.5241(5) 1.0297(7) 0.2326(3) 0.052(2) Uani 1 1 d . . .
H56 H 0.5817 1.0428 0.2456 0.062 Uiso 1 1 calc R . .
C57 C 0.4856(5) 1.0932(6) 0.2041(3) 0.045(2) Uani 1 1 d . . .
H57 H 0.5149 1.1504 0.1992 0.054 Uiso 1 1 calc R . .
C58 C 0.4032(5) 1.0707(5) 0.1829(2) 0.0326(17) Uani 1 1 d . . .
C59 C 0.3604(4) 0.9833(5) 0.18958(19) 0.0215(14) Uani 1 1 d . . .
C60 C 0.3847(6) 1.2210(5) 0.1510(4) 0.077(4) Uani 1 1 d . . .
H60A H 0.3435 1.2538 0.1315 0.116 Uiso 1 1 calc R . .
H60B H 0.4474 1.2231 0.1406 0.116 Uiso 1 1 calc R . .
H60C H 0.3829 1.2504 0.1785 0.116 Uiso 1 1 calc R . .
Cl1 Cl 0.70117(14) 0.55361(15) 0.08093(7) 0.0518(6) Uani 1 1 d . . .
O13 O 0.6157(5) 0.6064(6) 0.0596(3) 0.107(3) Uani 1 1 d . . .
O14 O 0.7006(5) 0.6061(6) 0.1171(2) 0.092(3) Uani 1 1 d . . .
O15 O 0.6631(5) 0.4649(4) 0.0838(2) 0.0711(19) Uani 1 1 d . . .
O16 O 0.7648(4) 0.5685(4) 0.04962(17) 0.0504(15) Uani 1 1 d . . .
Cl2 Cl 0.19034(12) 0.61548(15) 0.28339(6) 0.0419(5) Uani 1 1 d . . .
O17 O 0.2670(5) 0.6602(6) 0.3043(2) 0.096(3) Uani 1 1 d . . .
O18 O 0.1259(4) 0.6831(5) 0.2689(2) 0.075(2) Uani 1 1 d . . .
O19 O 0.1452(5) 0.5593(5) 0.3139(2) 0.088(2) Uani 1 1 d . . .
O20 O 0.2242(7) 0.5616(9) 0.2516(2) 0.168(6) Uani 1 1 d . . .
O1W O 0.2826(7) 0.3703(7) 0.2451(3) 0.041(3) Uani 0.50 1 d P . .
O2W O 0.2094(12) 1.0071(13) 0.3879(4) 0.107(6) Uani 0.50 1 d P . .


_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 O8 2.190(4) . ?
Gd1 O11 2.312(4) . ?
Gd1 O5 2.313(4) . ?
Gd1 O9 2.334(4) . ?
Gd1 O3 2.364(4) . ?
Gd1 O4 2.604(4) . ?
Gd1 O10 2.607(4) . ?
Gd1 O2 2.612(4) . ?
Gd1 Zn2 3.5301(8) . ?
Gd1 Zn1 3.5946(9) . ?
Zn1 O3 2.083(4) . ?
Zn1 O5 2.090(4) . ?
Zn1 N3 2.113(5) . ?
Zn1 N1 2.168(5) . ?
Zn1 N2 2.236(5) . ?
Zn1 N4 2.266(5) . ?
Zn2 O11 2.062(4) . ?
Zn2 O9 2.071(4) . ?
Zn2 N8 2.114(5) . ?
Zn2 N5 2.191(5) . ?
Zn2 N6 2.196(5) . ?
Zn2 N7 2.280(5) . ?
O1 C2 1.360(8) . ?
O1 C1 1.446(8) . ?
O2 C7 1.397(7) . ?
O2 H2 0.848(10) . ?
O3 C21 1.351(7) . ?
O4 C20 1.387(7) . ?
O4 C22 1.437(7) . ?
O5 C29 1.342(7) . ?
O6 C28 1.378(7) . ?
O6 C30 1.429(7) . ?
O7 C32 1.379(7) . ?
O7 C31 1.420(7) . ?
O8 C37 1.322(7) . ?
O9 C49 1.348(7) . ?
O10 C48 1.384(6) . ?
O10 C50 1.436(7) . ?
O11 C59 1.337(7) . ?
O12 C58 1.371(9) . ?
O12 C60 1.403(9) . ?
N1 C8 1.477(8) . ?
N1 C9 1.482(8) . ?
N1 H1 0.9100 . ?
N2 C13 1.468(7) . ?
N2 C10 1.476(8) . ?
N2 C11 1.478(8) . ?
N3 C12 1.456(8) . ?
N3 C15 1.473(8) . ?
N3 H3 0.9100 . ?
N4 C14 1.483(8) . ?
N4 C23 1.503(7) . ?
N4 H4 0.9100 . ?
N5 C39 1.462(8) . ?
N5 C38 1.484(8) . ?
N5 H5 0.9100 . ?
N6 C51 1.468(8) . ?
N6 C40 1.471(9) . ?
N6 C41 1.489(7) . ?
N7 C52 1.474(8) . ?
N7 C53 1.494(8) . ?
N7 H7 0.9100 . ?
N8 C42 1.467(8) . ?
N8 C43 1.485(8) . ?
N8 H8 0.9100 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.390(9) . ?
C2 C7 1.403(9) . ?
C3 C4 1.370(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.380(10) . ?
C4 H4A 0.9300 . ?
C5 C6 1.380(8) . ?
C5 H5A 0.9300 . ?
C6 C7 1.388(9) . ?
C6 C8 1.511(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.520(9) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.521(9) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.520(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.487(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.396(8) . ?
C16 C21 1.403(8) . ?
C17 C18 1.364(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.386(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.374(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.388(8) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.494(8) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C25 1.394(8) . ?
C24 C29 1.398(8) . ?
C25 C26 1.370(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.382(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.381(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.401(8) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.375(9) . ?
C32 C37 1.412(9) . ?
C33 C34 1.401(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.372(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.400(9) . ?
C35 H35 0.9300 . ?
C36 C37 1.402(8) . ?
C36 C38 1.503(9) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.523(9) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.518(10) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.504(8) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.390(8) . ?
C44 C49 1.402(8) . ?
C45 C46 1.366(9) . ?
C45 H45 0.9300 . ?
C46 C47 1.385(8) . ?
C46 H46 0.9300 . ?
C47 C48 1.375(8) . ?
C47 H47 0.9300 . ?
C48 C49 1.401(8) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C52 1.522(10) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.495(10) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C59 1.390(9) . ?
C54 C55 1.398(9) . ?
C55 C56 1.379(12) . ?
C55 H55 0.9300 . ?
C56 C57 1.379(12) . ?
C56 H56 0.9300 . ?
C57 C58 1.379(10) . ?
C57 H57 0.9300 . ?
C58 C59 1.404(9) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
Cl1 O14 1.360(6) . ?
Cl1 O16 1.369(5) . ?
Cl1 O15 1.378(6) . ?
Cl1 O13 1.572(7) . ?
Cl1 O2W 1.726(19) 2_645 ?
Cl2 O20 1.355(8) . ?
Cl2 O18 1.401(6) . ?
Cl2 O17 1.415(7) . ?
Cl2 O19 1.414(7) . ?
O2W Cl1 1.726(19) 2_655 ?

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
O8 Gd1 O11 88.49(15) . . ?
O8 Gd1 O5 139.27(15) . . ?
O11 Gd1 O5 128.67(14) . . ?
O8 Gd1 O9 97.13(14) . . ?
O11 Gd1 O9 67.49(13) . . ?
O5 Gd1 O9 85.21(13) . . ?
O8 Gd1 O3 146.16(14) . . ?
O11 Gd1 O3 81.41(13) . . ?
O5 Gd1 O3 66.65(13) . . ?
O9 Gd1 O3 108.36(13) . . ?
O8 Gd1 O4 83.53(14) . . ?
O11 Gd1 O4 74.41(12) . . ?
O5 Gd1 O4 118.69(13) . . ?
O9 Gd1 O4 141.85(13) . . ?
O3 Gd1 O4 62.66(13) . . ?
O8 Gd1 O10 73.91(14) . . ?
O11 Gd1 O10 124.67(12) . . ?
O5 Gd1 O10 70.94(13) . . ?
O9 Gd1 O10 63.53(12) . . ?
O3 Gd1 O10 137.41(13) . . ?
O4 Gd1 O10 149.10(12) . . ?
O8 Gd1 O2 69.60(14) . . ?
O11 Gd1 O2 139.66(14) . . ?
O5 Gd1 O2 85.82(14) . . ?
O9 Gd1 O2 145.85(13) . . ?
O3 Gd1 O2 98.04(13) . . ?
O4 Gd1 O2 69.91(13) . . ?
O10 Gd1 O2 82.40(12) . . ?
O8 Gd1 Zn2 88.52(11) . . ?
O11 Gd1 Zn2 33.86(9) . . ?
O5 Gd1 Zn2 112.69(9) . . ?
O9 Gd1 Zn2 34.24(9) . . ?
O3 Gd1 Zn2 100.05(9) . . ?
O4 Gd1 Zn2 108.06(9) . . ?
O10 Gd1 Zn2 92.45(8) . . ?
O2 Gd1 Zn2 158.11(10) . . ?
O8 Gd1 Zn1 159.74(11) . . ?
O11 Gd1 Zn1 108.08(10) . . ?
O5 Gd1 Zn1 33.27(9) . . ?
O9 Gd1 Zn1 99.94(10) . . ?
O3 Gd1 Zn1 33.50(10) . . ?
O4 Gd1 Zn1 89.69(9) . . ?
O10 Gd1 Zn1 104.21(9) . . ?
O2 Gd1 Zn1 90.14(9) . . ?
Zn2 Gd1 Zn1 111.739(18) . . ?
O3 Zn1 O5 76.03(15) . . ?
O3 Zn1 N3 89.29(17) . . ?
O5 Zn1 N3 165.32(18) . . ?
O3 Zn1 N1 98.14(17) . . ?
O5 Zn1 N1 80.79(17) . . ?
N3 Zn1 N1 101.71(19) . . ?
O3 Zn1 N2 169.61(16) . . ?
O5 Zn1 N2 113.24(17) . . ?
N3 Zn1 N2 81.40(19) . . ?
N1 Zn1 N2 79.39(18) . . ?
O3 Zn1 N4 107.30(16) . . ?
O5 Zn1 N4 85.34(16) . . ?
N3 Zn1 N4 99.23(18) . . ?
N1 Zn1 N4 147.06(19) . . ?
N2 Zn1 N4 78.93(17) . . ?
O3 Zn1 Gd1 38.78(10) . . ?
O5 Zn1 Gd1 37.39(11) . . ?
N3 Zn1 Gd1 127.96(14) . . ?
N1 Zn1 Gd1 86.65(13) . . ?
N2 Zn1 Gd1 149.80(13) . . ?
N4 Zn1 Gd1 100.12(12) . . ?
O11 Zn2 O9 77.27(15) . . ?
O11 Zn2 N8 166.86(18) . . ?
O9 Zn2 N8 89.59(17) . . ?
O11 Zn2 N5 81.96(16) . . ?
O9 Zn2 N5 96.59(17) . . ?
N8 Zn2 N5 99.9(2) . . ?
O11 Zn2 N6 110.21(17) . . ?
O9 Zn2 N6 171.34(17) . . ?
N8 Zn2 N6 82.90(19) . . ?
N5 Zn2 N6 80.54(19) . . ?
O11 Zn2 N7 84.37(16) . . ?
O9 Zn2 N7 106.30(17) . . ?
N8 Zn2 N7 99.4(2) . . ?
N5 Zn2 N7 149.96(19) . . ?
N6 Zn2 N7 79.3(2) . . ?
O11 Zn2 Gd1 38.65(11) . . ?
O9 Zn2 Gd1 39.36(10) . . ?
N8 Zn2 Gd1 128.37(14) . . ?
N5 Zn2 Gd1 83.30(13) . . ?
N6 Zn2 Gd1 147.00(13) . . ?
N7 Zn2 Gd1 102.14(12) . . ?
C2 O1 C1 116.3(5) . . ?
C7 O2 Gd1 150.8(4) . . ?
C7 O2 H2 109(2) . . ?
Gd1 O2 H2 99(2) . . ?
C21 O3 Zn1 121.5(4) . . ?
C21 O3 Gd1 125.1(4) . . ?
Zn1 O3 Gd1 107.71(15) . . ?
C20 O4 C22 116.3(4) . . ?
C20 O4 Gd1 117.6(3) . . ?
C22 O4 Gd1 126.1(3) . . ?
C29 O5 Zn1 112.0(3) . . ?
C29 O5 Gd1 136.5(3) . . ?
Zn1 O5 Gd1 109.34(16) . . ?
C28 O6 C30 117.1(5) . . ?
C32 O7 C31 117.6(5) . . ?
C37 O8 Gd1 167.9(4) . . ?
C49 O9 Zn2 123.9(3) . . ?
C49 O9 Gd1 125.3(3) . . ?
Zn2 O9 Gd1 106.40(15) . . ?
C48 O10 C50 115.8(4) . . ?
C48 O10 Gd1 116.2(3) . . ?
C50 O10 Gd1 127.8(3) . . ?
C59 O11 Zn2 115.5(3) . . ?
C59 O11 Gd1 135.5(3) . . ?
Zn2 O11 Gd1 107.48(16) . . ?
C58 O12 C60 117.8(7) . . ?
C8 N1 C9 114.3(5) . . ?
C8 N1 Zn1 120.9(4) . . ?
C9 N1 Zn1 111.3(4) . . ?
C8 N1 H1 102.4 . . ?
C9 N1 H1 102.4 . . ?
Zn1 N1 H1 102.4 . . ?
C13 N2 C10 110.6(5) . . ?
C13 N2 C11 112.9(5) . . ?
C10 N2 C11 111.1(5) . . ?
C13 N2 Zn1 107.6(3) . . ?
C10 N2 Zn1 107.9(4) . . ?
C11 N2 Zn1 106.5(4) . . ?
C12 N3 C15 114.1(5) . . ?
C12 N3 Zn1 107.3(4) . . ?
C15 N3 Zn1 111.6(4) . . ?
C12 N3 H3 107.9 . . ?
C15 N3 H3 107.9 . . ?
Zn1 N3 H3 107.9 . . ?
C14 N4 C23 111.6(5) . . ?
C14 N4 Zn1 110.1(4) . . ?
C23 N4 Zn1 112.0(3) . . ?
C14 N4 H4 107.6 . . ?
C23 N4 H4 107.6 . . ?
Zn1 N4 H4 107.6 . . ?
C39 N5 C38 113.8(5) . . ?
C39 N5 Zn2 110.8(4) . . ?
C38 N5 Zn2 121.0(4) . . ?
C39 N5 H5 102.8 . . ?
C38 N5 H5 102.8 . . ?
Zn2 N5 H5 102.8 . . ?
C51 N6 C40 111.0(5) . . ?
C51 N6 C41 112.9(5) . . ?
C40 N6 C41 111.3(5) . . ?
C51 N6 Zn2 109.0(4) . . ?
C40 N6 Zn2 106.1(4) . . ?
C41 N6 Zn2 106.1(4) . . ?
C52 N7 C53 112.7(5) . . ?
C52 N7 Zn2 109.2(4) . . ?
C53 N7 Zn2 112.7(4) . . ?
C52 N7 H7 107.3 . . ?
C53 N7 H7 107.3 . . ?
Zn2 N7 H7 107.3 . . ?
C42 N8 C43 113.0(5) . . ?
C42 N8 Zn2 106.5(4) . . ?
C43 N8 Zn2 110.9(4) . . ?
C42 N8 H8 108.8 . . ?
C43 N8 H8 108.8 . . ?
Zn2 N8 H8 108.8 . . ?
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 . . ?
O1 C2 C3 125.5(6) . . ?
O1 C2 C7 115.2(5) . . ?
C3 C2 C7 119.3(6) . . ?
C4 C3 C2 119.6(6) . . ?
C4 C3 H3A 120.2 . . ?
C2 C3 H3A 120.2 . . ?
C3 C4 C5 120.7(6) . . ?
C3 C4 H4A 119.6 . . ?
C5 C4 H4A 119.6 . . ?
C6 C5 C4 121.2(6) . . ?
C6 C5 H5A 119.4 . . ?
C4 C5 H5A 119.4 . . ?
C5 C6 C7 118.3(6) . . ?
C5 C6 C8 121.3(6) . . ?
C7 C6 C8 119.9(5) . . ?
C6 C7 O2 121.0(6) . . ?
C6 C7 C2 120.8(6) . . ?
O2 C7 C2 118.2(6) . . ?
N1 C8 C6 111.7(5) . . ?
N1 C8 H8A 109.3 . . ?
C6 C8 H8A 109.3 . . ?
N1 C8 H8B 109.3 . . ?
C6 C8 H8B 109.3 . . ?
H8A C8 H8B 107.9 . . ?
N1 C9 C10 108.8(5) . . ?
N1 C9 H9A 109.9 . . ?
C10 C9 H9A 109.9 . . ?
N1 C9 H9B 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
N2 C10 C9 111.0(5) . . ?
N2 C10 H10A 109.4 . . ?
C9 C10 H10A 109.4 . . ?
N2 C10 H10B 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
N2 C11 C12 112.9(5) . . ?
N2 C11 H11A 109.0 . . ?
C12 C11 H11A 109.0 . . ?
N2 C11 H11B 109.0 . . ?
C12 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
N3 C12 C11 109.6(5) . . ?
N3 C12 H12A 109.7 . . ?
C11 C12 H12A 109.7 . . ?
N3 C12 H12B 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
N2 C13 C14 112.4(5) . . ?
N2 C13 H13A 109.1 . . ?
C14 C13 H13A 109.1 . . ?
N2 C13 H13B 109.1 . . ?
C14 C13 H13B 109.1 . . ?
H13A C13 H13B 107.9 . . ?
N4 C14 C13 111.3(5) . . ?
N4 C14 H14A 109.4 . . ?
C13 C14 H14A 109.4 . . ?
N4 C14 H14B 109.4 . . ?
C13 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
N3 C15 C16 109.8(5) . . ?
N3 C15 H15A 109.7 . . ?
C16 C15 H15A 109.7 . . ?
N3 C15 H15B 109.7 . . ?
C16 C15 H15B 109.7 . . ?
H15A C15 H15B 108.2 . . ?
C17 C16 C21 118.3(6) . . ?
C17 C16 C15 121.5(6) . . ?
C21 C16 C15 120.2(5) . . ?
C18 C17 C16 121.8(6) . . ?
C18 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?
C17 C18 C19 120.0(6) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 119.1(6) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C19 C20 O4 124.7(5) . . ?
C19 C20 C21 121.8(6) . . ?
O4 C20 C21 113.5(5) . . ?
O3 C21 C20 118.7(5) . . ?
O3 C21 C16 122.3(6) . . ?
C20 C21 C16 118.9(5) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 N4 110.0(5) . . ?
C24 C23 H23A 109.7 . . ?
N4 C23 H23A 109.7 . . ?
C24 C23 H23B 109.7 . . ?
N4 C23 H23B 109.7 . . ?
H23A C23 H23B 108.2 . . ?
C25 C24 C29 120.0(6) . . ?
C25 C24 C23 123.0(5) . . ?
C29 C24 C23 116.9(5) . . ?
C26 C25 C24 120.2(6) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 120.4(6) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C28 C27 C26 120.1(6) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
O6 C28 C27 125.5(6) . . ?
O6 C28 C29 114.1(5) . . ?
C27 C28 C29 120.4(6) . . ?
O5 C29 C24 120.0(5) . . ?
O5 C29 C28 121.3(5) . . ?
C24 C29 C28 118.6(5) . . ?
O6 C30 H30A 109.5 . . ?
O6 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O6 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O7 C31 H31A 109.5 . . ?
O7 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O7 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 O7 124.4(6) . . ?
C33 C32 C37 121.5(6) . . ?
O7 C32 C37 114.0(5) . . ?
C32 C33 C34 119.3(6) . . ?
C32 C33 H33 120.4 . . ?
C34 C33 H33 120.4 . . ?
C35 C34 C33 120.1(6) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C34 C35 C36 121.1(6) . . ?
C34 C35 H35 119.4 . . ?
C36 C35 H35 119.4 . . ?
C35 C36 C37 119.4(6) . . ?
C35 C36 C38 122.2(6) . . ?
C37 C36 C38 118.3(6) . . ?
O8 C37 C36 122.3(6) . . ?
O8 C37 C32 119.3(5) . . ?
C36 C37 C32 118.4(6) . . ?
N5 C38 C36 113.8(5) . . ?
N5 C38 H38A 108.8 . . ?
C36 C38 H38A 108.8 . . ?
N5 C38 H38B 108.8 . . ?
C36 C38 H38B 108.8 . . ?
H38A C38 H38B 107.7 . . ?
N5 C39 C40 108.9(5) . . ?
N5 C39 H39A 109.9 . . ?
C40 C39 H39A 109.9 . . ?
N5 C39 H39B 109.9 . . ?
C40 C39 H39B 109.9 . . ?
H39A C39 H39B 108.3 . . ?
N6 C40 C39 112.8(5) . . ?
N6 C40 H40A 109.0 . . ?
C39 C40 H40A 109.0 . . ?
N6 C40 H40B 109.0 . . ?
C39 C40 H40B 109.0 . . ?
H40A C40 H40B 107.8 . . ?
N6 C41 C42 112.8(5) . . ?
N6 C41 H41A 109.0 . . ?
C42 C41 H41A 109.0 . . ?
N6 C41 H41B 109.0 . . ?
C42 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
N8 C42 C41 109.8(5) . . ?
N8 C42 H42A 109.7 . . ?
C41 C42 H42A 109.7 . . ?
N8 C42 H42B 109.7 . . ?
C41 C42 H42B 109.7 . . ?
H42A C42 H42B 108.2 . . ?
N8 C43 C44 111.2(5) . . ?
N8 C43 H43A 109.4 . . ?
C44 C43 H43A 109.4 . . ?
N8 C43 H43B 109.4 . . ?
C44 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C45 C44 C49 118.8(6) . . ?
C45 C44 C43 120.4(5) . . ?
C49 C44 C43 120.7(5) . . ?
C46 C45 C44 121.8(6) . . ?
C46 C45 H45 119.1 . . ?
C44 C45 H45 119.1 . . ?
C45 C46 C47 120.0(5) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
C48 C47 C46 119.1(6) . . ?
C48 C47 H47 120.4 . . ?
C46 C47 H47 120.4 . . ?
C47 C48 O10 124.5(5) . . ?
C47 C48 C49 121.7(5) . . ?
O10 C48 C49 113.7(5) . . ?
O9 C49 C48 118.8(5) . . ?
O9 C49 C44 123.0(5) . . ?
C48 C49 C44 118.2(5) . . ?
O10 C50 H50A 109.5 . . ?
O10 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
O10 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N6 C51 C52 112.2(6) . . ?
N6 C51 H51A 109.2 . . ?
C52 C51 H51A 109.2 . . ?
N6 C51 H51B 109.2 . . ?
C52 C51 H51B 109.2 . . ?
H51A C51 H51B 107.9 . . ?
N7 C52 C51 111.9(5) . . ?
N7 C52 H52A 109.2 . . ?
C51 C52 H52A 109.2 . . ?
N7 C52 H52B 109.2 . . ?
C51 C52 H52B 109.2 . . ?
H52A C52 H52B 107.9 . . ?
N7 C53 C54 110.8(5) . . ?
N7 C53 H53A 109.5 . . ?
C54 C53 H53A 109.5 . . ?
N7 C53 H53B 109.5 . . ?
C54 C53 H53B 109.5 . . ?
H53A C53 H53B 108.1 . . ?
C59 C54 C55 118.5(7) . . ?
C59 C54 C53 117.6(5) . . ?
C55 C54 C53 123.8(7) . . ?
C56 C55 C54 120.3(8) . . ?
C56 C55 H55 119.9 . . ?
C54 C55 H55 119.9 . . ?
C55 C56 C57 121.2(7) . . ?
C55 C56 H56 119.4 . . ?
C57 C56 H56 119.4 . . ?
C58 C57 C56 119.2(8) . . ?
C58 C57 H57 120.4 . . ?
C56 C57 H57 120.4 . . ?
O12 C58 C57 125.8(7) . . ?
O12 C58 C59 114.0(6) . . ?
C57 C58 C59 120.2(7) . . ?
O11 C59 C54 119.5(6) . . ?
O11 C59 C58 120.3(6) . . ?
C54 C59 C58 120.1(6) . . ?
O12 C60 H60A 109.5 . . ?
O12 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
O12 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O14 Cl1 O16 122.0(4) . . ?
O14 Cl1 O15 116.1(4) . . ?
O16 Cl1 O15 117.3(4) . . ?
O14 Cl1 O13 94.4(5) . . ?
O16 Cl1 O13 98.1(4) . . ?
O15 Cl1 O13 99.3(5) . . ?
O14 Cl1 O2W 75.7(6) . 2_645 ?
O16 Cl1 O2W 88.4(5) . 2_645 ?
O15 Cl1 O2W 84.2(6) . 2_645 ?
O13 Cl1 O2W 170.1(6) . 2_645 ?
O20 Cl2 O18 113.0(5) . . ?
O20 Cl2 O17 108.1(6) . . ?
O18 Cl2 O17 109.8(5) . . ?
O20 Cl2 O19 110.7(7) . . ?
O18 Cl2 O19 107.6(4) . . ?
O17 Cl2 O19 107.4(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O8 Gd1 Zn1 O3 104.6(3) . . . . ?
O11 Gd1 Zn1 O3 -38.93(19) . . . . ?
O5 Gd1 Zn1 O3 -173.4(2) . . . . ?
O9 Gd1 Zn1 O3 -108.34(19) . . . . ?
O4 Gd1 Zn1 O3 34.55(18) . . . . ?
O10 Gd1 Zn1 O3 -173.36(18) . . . . ?
O2 Gd1 Zn1 O3 104.45(19) . . . . ?
Zn2 Gd1 Zn1 O3 -74.81(16) . . . . ?
O8 Gd1 Zn1 O5 -81.9(4) . . . . ?
O11 Gd1 Zn1 O5 134.47(19) . . . . ?
O9 Gd1 Zn1 O5 65.06(19) . . . . ?
O3 Gd1 Zn1 O5 173.4(2) . . . . ?
O4 Gd1 Zn1 O5 -152.05(19) . . . . ?
O10 Gd1 Zn1 O5 0.05(19) . . . . ?
O2 Gd1 Zn1 O5 -82.1(2) . . . . ?
Zn2 Gd1 Zn1 O5 98.59(17) . . . . ?
O8 Gd1 Zn1 N3 99.5(3) . . . . ?
O11 Gd1 Zn1 N3 -44.09(19) . . . . ?
O5 Gd1 Zn1 N3 -178.6(2) . . . . ?
O9 Gd1 Zn1 N3 -113.50(19) . . . . ?
O3 Gd1 Zn1 N3 -5.2(2) . . . . ?
O4 Gd1 Zn1 N3 29.39(19) . . . . ?
O10 Gd1 Zn1 N3 -178.51(19) . . . . ?
O2 Gd1 Zn1 N3 99.29(19) . . . . ?
Zn2 Gd1 Zn1 N3 -79.97(17) . . . . ?
O8 Gd1 Zn1 N1 -2.8(3) . . . . ?
O11 Gd1 Zn1 N1 -146.33(16) . . . . ?
O5 Gd1 Zn1 N1 79.2(2) . . . . ?
O9 Gd1 Zn1 N1 144.25(16) . . . . ?
O3 Gd1 Zn1 N1 -107.4(2) . . . . ?
O4 Gd1 Zn1 N1 -72.86(16) . . . . ?
O10 Gd1 Zn1 N1 79.24(16) . . . . ?
O2 Gd1 Zn1 N1 -2.95(16) . . . . ?
Zn2 Gd1 Zn1 N1 177.78(13) . . . . ?
O8 Gd1 Zn1 N2 -64.9(4) . . . . ?
O11 Gd1 Zn1 N2 151.5(3) . . . . ?
O5 Gd1 Zn1 N2 17.0(3) . . . . ?
O9 Gd1 Zn1 N2 82.1(3) . . . . ?
O3 Gd1 Zn1 N2 -169.6(3) . . . . ?
O4 Gd1 Zn1 N2 -135.0(3) . . . . ?
O10 Gd1 Zn1 N2 17.1(3) . . . . ?
O2 Gd1 Zn1 N2 -65.1(3) . . . . ?
Zn2 Gd1 Zn1 N2 115.6(2) . . . . ?
O8 Gd1 Zn1 N4 -150.3(3) . . . . ?
O11 Gd1 Zn1 N4 66.15(16) . . . . ?
O5 Gd1 Zn1 N4 -68.3(2) . . . . ?
O9 Gd1 Zn1 N4 -3.26(16) . . . . ?
O3 Gd1 Zn1 N4 105.1(2) . . . . ?
O4 Gd1 Zn1 N4 139.62(15) . . . . ?
O10 Gd1 Zn1 N4 -68.28(16) . . . . ?
O2 Gd1 Zn1 N4 -150.47(16) . . . . ?
Zn2 Gd1 Zn1 N4 30.26(13) . . . . ?
O8 Gd1 Zn2 O11 -89.5(2) . . . . ?
O5 Gd1 Zn2 O11 126.3(2) . . . . ?
O9 Gd1 Zn2 O11 165.5(2) . . . . ?
O3 Gd1 Zn2 O11 57.6(2) . . . . ?
O4 Gd1 Zn2 O11 -6.8(2) . . . . ?
O10 Gd1 Zn2 O11 -163.3(2) . . . . ?
O2 Gd1 Zn2 O11 -87.7(3) . . . . ?
Zn1 Gd1 Zn2 O11 90.31(18) . . . . ?
O8 Gd1 Zn2 O9 105.0(2) . . . . ?
O11 Gd1 Zn2 O9 -165.5(2) . . . . ?
O5 Gd1 Zn2 O9 -39.2(2) . . . . ?
O3 Gd1 Zn2 O9 -107.95(19) . . . . ?
O4 Gd1 Zn2 O9 -172.31(19) . . . . ?
O10 Gd1 Zn2 O9 31.16(19) . . . . ?
O2 Gd1 Zn2 O9 106.8(3) . . . . ?
Zn1 Gd1 Zn2 O9 -75.20(17) . . . . ?
O8 Gd1 Zn2 N8 93.4(2) . . . . ?
O11 Gd1 Zn2 N8 -177.1(3) . . . . ?
O5 Gd1 Zn2 N8 -50.8(2) . . . . ?
O9 Gd1 Zn2 N8 -11.6(3) . . . . ?
O3 Gd1 Zn2 N8 -119.5(2) . . . . ?
O4 Gd1 Zn2 N8 176.1(2) . . . . ?
O10 Gd1 Zn2 N8 19.6(2) . . . . ?
O2 Gd1 Zn2 N8 95.2(3) . . . . ?
Zn1 Gd1 Zn2 N8 -86.8(2) . . . . ?
O8 Gd1 Zn2 N5 -4.01(16) . . . . ?
O11 Gd1 Zn2 N5 85.5(2) . . . . ?
O5 Gd1 Zn2 N5 -148.18(16) . . . . ?
O9 Gd1 Zn2 N5 -109.0(2) . . . . ?
O3 Gd1 Zn2 N5 143.05(16) . . . . ?
O4 Gd1 Zn2 N5 78.69(16) . . . . ?
O10 Gd1 Zn2 N5 -77.84(15) . . . . ?
O2 Gd1 Zn2 N5 -2.2(3) . . . . ?
Zn1 Gd1 Zn2 N5 175.80(13) . . . . ?
O8 Gd1 Zn2 N6 -65.0(3) . . . . ?
O11 Gd1 Zn2 N6 24.5(3) . . . . ?
O5 Gd1 Zn2 N6 150.8(3) . . . . ?
O9 Gd1 Zn2 N6 -170.0(3) . . . . ?
O3 Gd1 Zn2 N6 82.0(3) . . . . ?
O4 Gd1 Zn2 N6 17.7(3) . . . . ?
O10 Gd1 Zn2 N6 -138.8(3) . . . . ?
O2 Gd1 Zn2 N6 -63.2(4) . . . . ?
Zn1 Gd1 Zn2 N6 114.8(3) . . . . ?
O8 Gd1 Zn2 N7 -154.04(18) . . . . ?
O11 Gd1 Zn2 N7 -64.5(2) . . . . ?
O5 Gd1 Zn2 N7 61.78(18) . . . . ?
O9 Gd1 Zn2 N7 101.0(2) . . . . ?
O3 Gd1 Zn2 N7 -6.98(17) . . . . ?
O4 Gd1 Zn2 N7 -71.34(17) . . . . ?
O10 Gd1 Zn2 N7 132.13(17) . . . . ?
O2 Gd1 Zn2 N7 -152.3(3) . . . . ?
Zn1 Gd1 Zn2 N7 25.77(15) . . . . ?
O8 Gd1 O2 C7 -161.2(8) . . . . ?
O11 Gd1 O2 C7 137.5(7) . . . . ?
O5 Gd1 O2 C7 -14.3(7) . . . . ?
O9 Gd1 O2 C7 -89.4(8) . . . . ?
O3 Gd1 O2 C7 51.4(8) . . . . ?
O4 Gd1 O2 C7 108.3(8) . . . . ?
O10 Gd1 O2 C7 -85.6(7) . . . . ?
Zn2 Gd1 O2 C7 -163.1(6) . . . . ?
Zn1 Gd1 O2 C7 18.7(7) . . . . ?
O5 Zn1 O3 C21 -158.9(4) . . . . ?
N3 Zn1 O3 C21 21.1(4) . . . . ?
N1 Zn1 O3 C21 -80.6(4) . . . . ?
N2 Zn1 O3 C21 -5.1(11) . . . . ?
N4 Zn1 O3 C21 120.6(4) . . . . ?
Gd1 Zn1 O3 C21 -154.8(5) . . . . ?
O5 Zn1 O3 Gd1 -4.12(15) . . . . ?
N3 Zn1 O3 Gd1 175.93(18) . . . . ?
N1 Zn1 O3 Gd1 74.21(19) . . . . ?
N2 Zn1 O3 Gd1 149.7(8) . . . . ?
N4 Zn1 O3 Gd1 -84.62(19) . . . . ?
O8 Gd1 O3 C21 10.6(5) . . . . ?
O11 Gd1 O3 C21 -63.5(4) . . . . ?
O5 Gd1 O3 C21 157.6(4) . . . . ?
O9 Gd1 O3 C21 -126.2(4) . . . . ?
O4 Gd1 O3 C21 13.3(4) . . . . ?
O10 Gd1 O3 C21 163.2(4) . . . . ?
O2 Gd1 O3 C21 75.7(4) . . . . ?
Zn2 Gd1 O3 C21 -91.9(4) . . . . ?
Zn1 Gd1 O3 C21 153.7(5) . . . . ?
O8 Gd1 O3 Zn1 -143.0(2) . . . . ?
O11 Gd1 O3 Zn1 142.84(17) . . . . ?
O5 Gd1 O3 Zn1 3.94(14) . . . . ?
O9 Gd1 O3 Zn1 80.10(17) . . . . ?
O4 Gd1 O3 Zn1 -140.3(2) . . . . ?
O10 Gd1 O3 Zn1 9.5(3) . . . . ?
O2 Gd1 O3 Zn1 -77.95(17) . . . . ?
Zn2 Gd1 O3 Zn1 114.44(13) . . . . ?
O8 Gd1 O4 C20 165.6(4) . . . . ?
O11 Gd1 O4 C20 75.4(4) . . . . ?
O5 Gd1 O4 C20 -50.5(4) . . . . ?
O9 Gd1 O4 C20 72.3(4) . . . . ?
O3 Gd1 O4 C20 -12.9(3) . . . . ?
O10 Gd1 O4 C20 -151.4(3) . . . . ?
O2 Gd1 O4 C20 -123.8(4) . . . . ?
Zn2 Gd1 O4 C20 79.3(4) . . . . ?
Zn1 Gd1 O4 C20 -33.5(3) . . . . ?
O8 Gd1 O4 C22 -13.4(4) . . . . ?
O11 Gd1 O4 C22 -103.6(4) . . . . ?
O5 Gd1 O4 C22 130.5(4) . . . . ?
O9 Gd1 O4 C22 -106.7(4) . . . . ?
O3 Gd1 O4 C22 168.1(5) . . . . ?
O10 Gd1 O4 C22 29.5(5) . . . . ?
O2 Gd1 O4 C22 57.2(4) . . . . ?
Zn2 Gd1 O4 C22 -99.7(4) . . . . ?
Zn1 Gd1 O4 C22 147.5(4) . . . . ?
O3 Zn1 O5 C29 -161.9(4) . . . . ?
N3 Zn1 O5 C29 -161.7(6) . . . . ?
N1 Zn1 O5 C29 97.3(4) . . . . ?
N2 Zn1 O5 C29 23.1(4) . . . . ?
N4 Zn1 O5 C29 -52.8(4) . . . . ?
Gd1 Zn1 O5 C29 -166.1(4) . . . . ?
O3 Zn1 O5 Gd1 4.25(15) . . . . ?
N3 Zn1 O5 Gd1 4.5(8) . . . . ?
N1 Zn1 O5 Gd1 -96.59(19) . . . . ?
N2 Zn1 O5 Gd1 -170.77(16) . . . . ?
N4 Zn1 O5 Gd1 113.39(19) . . . . ?
O8 Gd1 O5 C29 -50.5(6) . . . . ?
O11 Gd1 O5 C29 100.8(5) . . . . ?
O9 Gd1 O5 C29 44.8(5) . . . . ?
O3 Gd1 O5 C29 157.2(5) . . . . ?
O4 Gd1 O5 C29 -166.5(5) . . . . ?
O10 Gd1 O5 C29 -18.8(5) . . . . ?
O2 Gd1 O5 C29 -102.2(5) . . . . ?
Zn2 Gd1 O5 C29 65.7(5) . . . . ?
Zn1 Gd1 O5 C29 161.2(6) . . . . ?
O8 Gd1 O5 Zn1 148.30(18) . . . . ?
O11 Gd1 O5 Zn1 -60.3(2) . . . . ?
O9 Gd1 O5 Zn1 -116.33(17) . . . . ?
O3 Gd1 O5 Zn1 -3.96(14) . . . . ?
O4 Gd1 O5 Zn1 32.3(2) . . . . ?
O10 Gd1 O5 Zn1 -179.95(19) . . . . ?
O2 Gd1 O5 Zn1 96.66(17) . . . . ?
Zn2 Gd1 O5 Zn1 -95.42(14) . . . . ?
O11 Gd1 O8 C37 -34.9(18) . . . . ?
O5 Gd1 O8 C37 123.1(17) . . . . ?
O9 Gd1 O8 C37 32.2(18) . . . . ?
O3 Gd1 O8 C37 -107.0(17) . . . . ?
O4 Gd1 O8 C37 -109.4(18) . . . . ?
O10 Gd1 O8 C37 92.0(18) . . . . ?
O2 Gd1 O8 C37 180(100) . . . . ?
Zn2 Gd1 O8 C37 -1.0(18) . . . . ?
Zn1 Gd1 O8 C37 179.5(16) . . . . ?
O11 Zn2 O9 C49 -166.6(4) . . . . ?
N8 Zn2 O9 C49 13.6(4) . . . . ?
N5 Zn2 O9 C49 -86.4(4) . . . . ?
N6 Zn2 O9 C49 -16.2(14) . . . . ?
N7 Zn2 O9 C49 113.3(4) . . . . ?
Gd1 Zn2 O9 C49 -157.3(5) . . . . ?
O11 Zn2 O9 Gd1 -9.22(16) . . . . ?
N8 Zn2 O9 Gd1 170.9(2) . . . . ?
N5 Zn2 O9 Gd1 70.97(18) . . . . ?
N6 Zn2 O9 Gd1 141.1(11) . . . . ?
N7 Zn2 O9 Gd1 -89.38(19) . . . . ?
O8 Gd1 O9 C49 80.2(4) . . . . ?
O11 Gd1 O9 C49 165.6(5) . . . . ?
O5 Gd1 O9 C49 -58.9(4) . . . . ?
O3 Gd1 O9 C49 -122.3(4) . . . . ?
O4 Gd1 O9 C49 168.8(4) . . . . ?
O10 Gd1 O9 C49 12.2(4) . . . . ?
O2 Gd1 O9 C49 16.4(5) . . . . ?
Zn2 Gd1 O9 C49 156.9(5) . . . . ?
Zn1 Gd1 O9 C49 -88.8(4) . . . . ?
O8 Gd1 O9 Zn2 -76.70(18) . . . . ?
O11 Gd1 O9 Zn2 8.68(15) . . . . ?
O5 Gd1 O9 Zn2 144.20(17) . . . . ?
O3 Gd1 O9 Zn2 80.74(18) . . . . ?
O4 Gd1 O9 Zn2 11.9(3) . . . . ?
O10 Gd1 O9 Zn2 -144.7(2) . . . . ?
O2 Gd1 O9 Zn2 -140.5(2) . . . . ?
Zn1 Gd1 O9 Zn2 114.25(14) . . . . ?
O8 Gd1 O10 C48 -120.4(4) . . . . ?
O11 Gd1 O10 C48 -43.8(4) . . . . ?
O5 Gd1 O10 C48 80.6(4) . . . . ?
O9 Gd1 O10 C48 -13.7(4) . . . . ?
O3 Gd1 O10 C48 75.1(4) . . . . ?
O4 Gd1 O10 C48 -165.1(3) . . . . ?
O2 Gd1 O10 C48 168.7(4) . . . . ?
Zn2 Gd1 O10 C48 -32.6(4) . . . . ?
Zn1 Gd1 O10 C48 80.5(4) . . . . ?
O8 Gd1 O10 C50 53.3(5) . . . . ?
O11 Gd1 O10 C50 129.8(5) . . . . ?
O5 Gd1 O10 C50 -105.8(5) . . . . ?
O9 Gd1 O10 C50 160.0(5) . . . . ?
O3 Gd1 O10 C50 -111.2(5) . . . . ?
O4 Gd1 O10 C50 8.5(6) . . . . ?
O2 Gd1 O10 C50 -17.6(5) . . . . ?
Zn2 Gd1 O10 C50 141.0(5) . . . . ?
Zn1 Gd1 O10 C50 -105.8(5) . . . . ?
O9 Zn2 O11 C59 -158.5(4) . . . . ?
N8 Zn2 O11 C59 -157.9(8) . . . . ?
N5 Zn2 O11 C59 102.8(4) . . . . ?
N6 Zn2 O11 C59 26.0(5) . . . . ?
N7 Zn2 O11 C59 -50.4(4) . . . . ?
Gd1 Zn2 O11 C59 -167.9(5) . . . . ?
O9 Zn2 O11 Gd1 9.36(16) . . . . ?
N8 Zn2 O11 Gd1 10.0(9) . . . . ?
N5 Zn2 O11 Gd1 -89.31(19) . . . . ?
N6 Zn2 O11 Gd1 -166.09(18) . . . . ?
N7 Zn2 O11 Gd1 117.5(2) . . . . ?
O8 Gd1 O11 C59 -106.1(5) . . . . ?
O5 Gd1 O11 C59 92.1(5) . . . . ?
O9 Gd1 O11 C59 155.6(6) . . . . ?
O3 Gd1 O11 C59 41.5(5) . . . . ?
O4 Gd1 O11 C59 -22.4(5) . . . . ?
O10 Gd1 O11 C59 -175.3(5) . . . . ?
O2 Gd1 O11 C59 -50.8(6) . . . . ?
Zn2 Gd1 O11 C59 164.3(6) . . . . ?
Zn1 Gd1 O11 C59 62.1(5) . . . . ?
O8 Gd1 O11 Zn2 89.59(18) . . . . ?
O5 Gd1 O11 Zn2 -72.2(2) . . . . ?
O9 Gd1 O11 Zn2 -8.76(15) . . . . ?
O3 Gd1 O11 Zn2 -122.81(18) . . . . ?
O4 Gd1 O11 Zn2 173.3(2) . . . . ?
O10 Gd1 O11 Zn2 20.4(2) . . . . ?
O2 Gd1 O11 Zn2 144.86(16) . . . . ?
Zn1 Gd1 O11 Zn2 -102.28(14) . . . . ?
O3 Zn1 N1 C8 18.0(4) . . . . ?
O5 Zn1 N1 C8 92.3(4) . . . . ?
N3 Zn1 N1 C8 -73.0(4) . . . . ?
N2 Zn1 N1 C8 -151.8(5) . . . . ?
N4 Zn1 N1 C8 158.6(4) . . . . ?
Gd1 Zn1 N1 C8 55.1(4) . . . . ?
O3 Zn1 N1 C9 156.4(4) . . . . ?
O5 Zn1 N1 C9 -129.3(4) . . . . ?
N3 Zn1 N1 C9 65.5(4) . . . . ?
N2 Zn1 N1 C9 -13.3(4) . . . . ?
N4 Zn1 N1 C9 -62.9(6) . . . . ?
Gd1 Zn1 N1 C9 -166.4(4) . . . . ?
O3 Zn1 N2 C13 149.1(8) . . . . ?
O5 Zn1 N2 C13 -58.7(4) . . . . ?
N3 Zn1 N2 C13 122.5(4) . . . . ?
N1 Zn1 N2 C13 -133.8(4) . . . . ?
N4 Zn1 N2 C13 21.3(4) . . . . ?
Gd1 Zn1 N2 C13 -69.9(5) . . . . ?
O3 Zn1 N2 C10 -91.5(10) . . . . ?
O5 Zn1 N2 C10 60.6(4) . . . . ?
N3 Zn1 N2 C10 -118.1(4) . . . . ?
N1 Zn1 N2 C10 -14.4(4) . . . . ?
N4 Zn1 N2 C10 140.6(4) . . . . ?
Gd1 Zn1 N2 C10 49.5(5) . . . . ?
O3 Zn1 N2 C11 27.8(11) . . . . ?
O5 Zn1 N2 C11 180.0(3) . . . . ?
N3 Zn1 N2 C11 1.2(4) . . . . ?
N1 Zn1 N2 C11 104.9(4) . . . . ?
N4 Zn1 N2 C11 -100.0(4) . . . . ?
Gd1 Zn1 N2 C11 168.8(3) . . . . ?
O3 Zn1 N3 C12 157.4(4) . . . . ?
O5 Zn1 N3 C12 157.2(6) . . . . ?
N1 Zn1 N3 C12 -104.5(4) . . . . ?
N2 Zn1 N3 C12 -27.2(4) . . . . ?
N4 Zn1 N3 C12 50.0(4) . . . . ?
Gd1 Zn1 N3 C12 160.6(3) . . . . ?
O3 Zn1 N3 C15 31.7(4) . . . . ?
O5 Zn1 N3 C15 31.5(9) . . . . ?
N1 Zn1 N3 C15 129.9(4) . . . . ?
N2 Zn1 N3 C15 -152.9(4) . . . . ?
N4 Zn1 N3 C15 -75.7(4) . . . . ?
Gd1 Zn1 N3 C15 34.9(4) . . . . ?
O3 Zn1 N4 C14 -167.5(4) . . . . ?
O5 Zn1 N4 C14 118.7(4) . . . . ?
N3 Zn1 N4 C14 -75.4(4) . . . . ?
N1 Zn1 N4 C14 53.6(5) . . . . ?
N2 Zn1 N4 C14 3.9(4) . . . . ?
Gd1 Zn1 N4 C14 153.2(4) . . . . ?
O3 Zn1 N4 C23 67.6(4) . . . . ?
O5 Zn1 N4 C23 -6.1(4) . . . . ?
N3 Zn1 N4 C23 159.8(4) . . . . ?
N1 Zn1 N4 C23 -71.2(5) . . . . ?
N2 Zn1 N4 C23 -120.9(4) . . . . ?
Gd1 Zn1 N4 C23 28.3(4) . . . . ?
O11 Zn2 N5 C39 -120.5(4) . . . . ?
O9 Zn2 N5 C39 163.4(4) . . . . ?
N8 Zn2 N5 C39 72.6(4) . . . . ?
N6 Zn2 N5 C39 -8.4(4) . . . . ?
N7 Zn2 N5 C39 -56.8(5) . . . . ?
Gd1 Zn2 N5 C39 -159.5(4) . . . . ?
O11 Zn2 N5 C38 102.4(4) . . . . ?
O9 Zn2 N5 C38 26.3(4) . . . . ?
N8 Zn2 N5 C38 -64.4(4) . . . . ?
N6 Zn2 N5 C38 -145.4(4) . . . . ?
N7 Zn2 N5 C38 166.2(4) . . . . ?
Gd1 Zn2 N5 C38 63.5(4) . . . . ?
O11 Zn2 N6 C51 -60.0(4) . . . . ?
O9 Zn2 N6 C51 150.9(11) . . . . ?
N8 Zn2 N6 C51 120.8(4) . . . . ?
N5 Zn2 N6 C51 -137.8(4) . . . . ?
N7 Zn2 N6 C51 19.8(4) . . . . ?
Gd1 Zn2 N6 C51 -76.1(5) . . . . ?
O11 Zn2 N6 C40 59.5(4) . . . . ?
O9 Zn2 N6 C40 -89.5(12) . . . . ?
N8 Zn2 N6 C40 -119.6(4) . . . . ?
N5 Zn2 N6 C40 -18.2(4) . . . . ?
N7 Zn2 N6 C40 139.4(4) . . . . ?
Gd1 Zn2 N6 C40 43.5(5) . . . . ?
O11 Zn2 N6 C41 178.0(4) . . . . ?
O9 Zn2 N6 C41 29.0(14) . . . . ?
N8 Zn2 N6 C41 -1.1(4) . . . . ?
N5 Zn2 N6 C41 100.3(4) . . . . ?
N7 Zn2 N6 C41 -102.1(4) . . . . ?
Gd1 Zn2 N6 C41 162.0(3) . . . . ?
O11 Zn2 N7 C52 116.9(4) . . . . ?
O9 Zn2 N7 C52 -168.2(4) . . . . ?
N8 Zn2 N7 C52 -75.8(4) . . . . ?
N5 Zn2 N7 C52 53.7(6) . . . . ?
N6 Zn2 N7 C52 5.0(4) . . . . ?
Gd1 Zn2 N7 C52 151.4(4) . . . . ?
O11 Zn2 N7 C53 -9.3(4) . . . . ?
O9 Zn2 N7 C53 65.7(4) . . . . ?
N8 Zn2 N7 C53 158.0(4) . . . . ?
N5 Zn2 N7 C53 -72.4(6) . . . . ?
N6 Zn2 N7 C53 -121.1(4) . . . . ?
Gd1 Zn2 N7 C53 25.3(4) . . . . ?
O11 Zn2 N8 C42 158.7(7) . . . . ?
O9 Zn2 N8 C42 159.3(4) . . . . ?
N5 Zn2 N8 C42 -104.1(4) . . . . ?
N6 Zn2 N8 C42 -25.0(4) . . . . ?
N7 Zn2 N8 C42 52.8(5) . . . . ?
Gd1 Zn2 N8 C42 166.6(4) . . . . ?
O11 Zn2 N8 C43 35.4(11) . . . . ?
O9 Zn2 N8 C43 36.0(4) . . . . ?
N5 Zn2 N8 C43 132.6(4) . . . . ?
N6 Zn2 N8 C43 -148.3(4) . . . . ?
N7 Zn2 N8 C43 -70.5(4) . . . . ?
Gd1 Zn2 N8 C43 43.3(5) . . . . ?
C1 O1 C2 C3 9.3(9) . . . . ?
C1 O1 C2 C7 -168.6(6) . . . . ?
O1 C2 C3 C4 -178.6(6) . . . . ?
C7 C2 C3 C4 -0.8(9) . . . . ?
C2 C3 C4 C5 0.4(10) . . . . ?
C3 C4 C5 C6 0.6(10) . . . . ?
C4 C5 C6 C7 -1.2(9) . . . . ?
C4 C5 C6 C8 171.2(6) . . . . ?
C5 C6 C7 O2 178.9(5) . . . . ?
C8 C6 C7 O2 6.4(9) . . . . ?
C5 C6 C7 C2 0.7(9) . . . . ?
C8 C6 C7 C2 -171.7(6) . . . . ?
Gd1 O2 C7 C6 -46.3(10) . . . . ?
Gd1 O2 C7 C2 131.8(7) . . . . ?
O1 C2 C7 C6 178.3(6) . . . . ?
C3 C2 C7 C6 0.2(9) . . . . ?
O1 C2 C7 O2 0.1(8) . . . . ?
C3 C2 C7 O2 -178.0(6) . . . . ?
C9 N1 C8 C6 83.2(6) . . . . ?
Zn1 N1 C8 C6 -139.5(4) . . . . ?
C5 C6 C8 N1 -83.6(7) . . . . ?
C7 C6 C8 N1 88.6(7) . . . . ?
C8 N1 C9 C10 179.7(5) . . . . ?
Zn1 N1 C9 C10 38.3(6) . . . . ?
C13 N2 C10 C9 157.3(5) . . . . ?
C11 N2 C10 C9 -76.5(6) . . . . ?
Zn1 N2 C10 C9 39.9(6) . . . . ?
N1 C9 C10 N2 -52.9(7) . . . . ?
C13 N2 C11 C12 -93.1(6) . . . . ?
C10 N2 C11 C12 142.0(5) . . . . ?
Zn1 N2 C11 C12 24.8(6) . . . . ?
C15 N3 C12 C11 173.0(5) . . . . ?
Zn1 N3 C12 C11 48.8(5) . . . . ?
N2 C11 C12 N3 -50.6(7) . . . . ?
C10 N2 C13 C14 -161.8(5) . . . . ?
C11 N2 C13 C14 73.0(6) . . . . ?
Zn1 N2 C13 C14 -44.3(6) . . . . ?
C23 N4 C14 C13 96.9(6) . . . . ?
Zn1 N4 C14 C13 -28.2(6) . . . . ?
N2 C13 C14 N4 49.9(7) . . . . ?
C12 N3 C15 C16 167.2(5) . . . . ?
Zn1 N3 C15 C16 -71.0(5) . . . . ?
N3 C15 C16 C17 -118.5(6) . . . . ?
N3 C15 C16 C21 58.8(7) . . . . ?
C21 C16 C17 C18 1.0(9) . . . . ?
C15 C16 C17 C18 178.4(6) . . . . ?
C16 C17 C18 C19 -2.1(10) . . . . ?
C17 C18 C19 C20 1.0(9) . . . . ?
C18 C19 C20 O4 -179.8(5) . . . . ?
C18 C19 C20 C21 1.2(9) . . . . ?
C22 O4 C20 C19 12.0(8) . . . . ?
Gd1 O4 C20 C19 -167.2(5) . . . . ?
C22 O4 C20 C21 -169.0(5) . . . . ?
Gd1 O4 C20 C21 11.9(6) . . . . ?
Zn1 O3 C21 C20 137.4(4) . . . . ?
Gd1 O3 C21 C20 -12.9(7) . . . . ?
Zn1 O3 C21 C16 -42.0(7) . . . . ?
Gd1 O3 C21 C16 167.7(4) . . . . ?
C19 C20 C21 O3 178.3(5) . . . . ?
O4 C20 C21 O3 -0.8(7) . . . . ?
C19 C20 C21 C16 -2.3(9) . . . . ?
O4 C20 C21 C16 178.6(5) . . . . ?
C17 C16 C21 O3 -179.5(5) . . . . ?
C15 C16 C21 O3 3.2(9) . . . . ?
C17 C16 C21 C20 1.1(9) . . . . ?
C15 C16 C21 C20 -176.2(5) . . . . ?
C14 N4 C23 C24 -65.8(6) . . . . ?
Zn1 N4 C23 C24 58.2(5) . . . . ?
N4 C23 C24 C25 111.8(6) . . . . ?
N4 C23 C24 C29 -65.2(7) . . . . ?
C29 C24 C25 C26 2.9(9) . . . . ?
C23 C24 C25 C26 -174.0(6) . . . . ?
C24 C25 C26 C27 1.3(9) . . . . ?
C25 C26 C27 C28 -1.7(9) . . . . ?
C30 O6 C28 C27 -9.7(8) . . . . ?
C30 O6 C28 C29 170.5(5) . . . . ?
C26 C27 C28 O6 178.3(6) . . . . ?
C26 C27 C28 C29 -2.0(9) . . . . ?
Zn1 O5 C29 C24 68.5(6) . . . . ?
Gd1 O5 C29 C24 -92.4(6) . . . . ?
Zn1 O5 C29 C28 -107.1(5) . . . . ?
Gd1 O5 C29 C28 92.1(7) . . . . ?
C25 C24 C29 O5 177.8(5) . . . . ?
C23 C24 C29 O5 -5.1(8) . . . . ?
C25 C24 C29 C28 -6.4(9) . . . . ?
C23 C24 C29 C28 170.6(5) . . . . ?
O6 C28 C29 O5 1.5(8) . . . . ?
C27 C28 C29 O5 -178.3(5) . . . . ?
O6 C28 C29 C24 -174.2(5) . . . . ?
C27 C28 C29 C24 6.0(9) . . . . ?
C31 O7 C32 C33 -3.4(9) . . . . ?
C31 O7 C32 C37 176.7(5) . . . . ?
O7 C32 C33 C34 179.1(6) . . . . ?
C37 C32 C33 C34 -1.0(9) . . . . ?
C32 C33 C34 C35 -0.4(10) . . . . ?
C33 C34 C35 C36 -0.1(10) . . . . ?
C34 C35 C36 C37 2.1(9) . . . . ?
C34 C35 C36 C38 -179.4(6) . . . . ?
Gd1 O8 C37 C36 -21(2) . . . . ?
Gd1 O8 C37 C32 161.0(15) . . . . ?
C35 C36 C37 O8 178.3(5) . . . . ?
C38 C36 C37 O8 -0.4(9) . . . . ?
C35 C36 C37 C32 -3.3(9) . . . . ?
C38 C36 C37 C32 178.0(5) . . . . ?
C33 C32 C37 O8 -178.7(5) . . . . ?
O7 C32 C37 O8 1.2(8) . . . . ?
C33 C32 C37 C36 2.9(9) . . . . ?
O7 C32 C37 C36 -177.2(5) . . . . ?
C39 N5 C38 C36 89.2(6) . . . . ?
Zn2 N5 C38 C36 -134.9(5) . . . . ?
C35 C36 C38 N5 -103.3(7) . . . . ?
C37 C36 C38 N5 75.3(7) . . . . ?
C38 N5 C39 C40 173.1(5) . . . . ?
Zn2 N5 C39 C40 32.7(6) . . . . ?
C51 N6 C40 C39 161.2(5) . . . . ?
C41 N6 C40 C39 -72.1(6) . . . . ?
Zn2 N6 C40 C39 42.9(6) . . . . ?
N5 C39 C40 N6 -52.2(7) . . . . ?
C51 N6 C41 C42 -92.2(7) . . . . ?
C40 N6 C41 C42 142.1(6) . . . . ?
Zn2 N6 C41 C42 27.1(7) . . . . ?
C43 N8 C42 C41 169.0(5) . . . . ?
Zn2 N8 C42 C41 47.0(6) . . . . ?
N6 C41 C42 N8 -51.4(8) . . . . ?
C42 N8 C43 C44 170.1(5) . . . . ?
Zn2 N8 C43 C44 -70.4(5) . . . . ?
N8 C43 C44 C45 -125.8(6) . . . . ?
N8 C43 C44 C49 53.8(8) . . . . ?
C49 C44 C45 C46 0.3(9) . . . . ?
C43 C44 C45 C46 179.9(6) . . . . ?
C44 C45 C46 C47 -3.8(10) . . . . ?
C45 C46 C47 C48 2.2(10) . . . . ?
C46 C47 C48 O10 -178.8(6) . . . . ?
C46 C47 C48 C49 2.9(9) . . . . ?
C50 O10 C48 C47 21.5(8) . . . . ?
Gd1 O10 C48 C47 -164.0(5) . . . . ?
C50 O10 C48 C49 -160.1(5) . . . . ?
Gd1 O10 C48 C49 14.4(6) . . . . ?
Zn2 O9 C49 C48 143.3(4) . . . . ?
Gd1 O9 C49 C48 -9.8(7) . . . . ?
Zn2 O9 C49 C44 -36.5(8) . . . . ?
Gd1 O9 C49 C44 170.5(4) . . . . ?
C47 C48 C49 O9 173.9(5) . . . . ?
O10 C48 C49 O9 -4.5(8) . . . . ?
C47 C48 C49 C44 -6.3(9) . . . . ?
O10 C48 C49 C44 175.3(5) . . . . ?
C45 C44 C49 O9 -175.6(5) . . . . ?
C43 C44 C49 O9 4.8(9) . . . . ?
C45 C44 C49 C48 4.6(9) . . . . ?
C43 C44 C49 C48 -175.0(6) . . . . ?
C40 N6 C51 C52 -158.7(5) . . . . ?
C41 N6 C51 C52 75.4(7) . . . . ?
Zn2 N6 C51 C52 -42.3(6) . . . . ?
C53 N7 C52 C51 97.4(7) . . . . ?
Zn2 N7 C52 C51 -28.7(7) . . . . ?
N6 C51 C52 N7 48.7(7) . . . . ?
C52 N7 C53 C54 -65.5(7) . . . . ?
Zn2 N7 C53 C54 58.7(6) . . . . ?
N7 C53 C54 C59 -61.2(7) . . . . ?
N7 C53 C54 C55 115.4(7) . . . . ?
C59 C54 C55 C56 1.9(10) . . . . ?
C53 C54 C55 C56 -174.7(6) . . . . ?
C54 C55 C56 C57 3.9(11) . . . . ?
C55 C56 C57 C58 -4.1(11) . . . . ?
C60 O12 C58 C57 -10.4(10) . . . . ?
C60 O12 C58 C59 169.7(6) . . . . ?
C56 C57 C58 O12 178.6(6) . . . . ?
C56 C57 C58 C59 -1.5(10) . . . . ?
Zn2 O11 C59 C54 68.7(6) . . . . ?
Gd1 O11 C59 C54 -94.7(6) . . . . ?
Zn2 O11 C59 C58 -108.3(5) . . . . ?
Gd1 O11 C59 C58 88.3(7) . . . . ?
C55 C54 C59 O11 175.6(5) . . . . ?
C53 C54 C59 O11 -7.6(8) . . . . ?
C55 C54 C59 C58 -7.4(9) . . . . ?
C53 C54 C59 C58 169.4(5) . . . . ?
O12 C58 C59 O11 4.2(8) . . . . ?
C57 C58 C59 O11 -175.7(6) . . . . ?
O12 C58 C59 C54 -172.8(5) . . . . ?
C57 C58 C59 C54 7.3(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        27.60
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         2.051
_refine_diff_density_min         -1.633
_refine_diff_density_rms         0.159
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 1508573'
_audit_update_record             
;
2016-10-06 deposited with the CCDC.
2016-12-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H79 Cl2 Dy N8 Ni2 O21'
_chemical_formula_weight         1599.13

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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   P2(1)/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                   14.4173(19)
_cell_length_b                   13.936(2)
_cell_length_c                   31.800(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.552(3)
_cell_angle_gamma                90.00
_cell_volume                     6386.7(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    9816
_cell_measurement_theta_min      2.820
_cell_measurement_theta_max      27.349

_exptl_crystal_description       strip-type
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3276
_exptl_absorpt_coefficient_mu    1.909
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      299(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            100994
_diffrn_reflns_av_R_equivalents  0.0655
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.77
_diffrn_reflns_theta_max         25.02
_reflns_number_total             11190
_reflns_number_gt                8538
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_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. 
;

_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+26.5163P] 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         11190
_refine_ls_number_parameters     865
_refine_ls_number_restraints     1431
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0516
_refine_ls_wR_factor_ref         0.1132
_refine_ls_wR_factor_gt          0.1017
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.016
_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 0.256145(17) 0.884403(19) 0.106025(8) 0.02537(9) Uani 1 1 d . . .
Ni1 Ni 0.35021(5) 0.65019(5) 0.11227(2) 0.02853(18) Uani 1 1 d . . .
Ni2 Ni 0.16436(5) 0.96147(5) 0.20004(2) 0.03154(18) Uani 1 1 d . . .
O1 O 0.2203(3) 0.9402(3) -0.04505(13) 0.0529(12) Uani 1 1 d . . .
O2 O 0.3039(3) 0.8904(3) 0.02632(12) 0.0376(10) Uani 1 1 d D . .
H2 H 0.282(4) 0.946(2) 0.0216(10) 0.056 Uiso 1 1 d D . .
O3 O 0.3789(2) 0.7887(3) 0.13013(11) 0.0287(9) Uani 1 1 d . . .
O4 O 0.4216(2) 0.9528(3) 0.10001(12) 0.0336(9) Uani 1 1 d . . .
O5 O 0.2330(2) 0.7250(3) 0.09245(11) 0.0262(8) Uani 1 1 d . . .
O6 O 0.1729(3) 0.6909(3) 0.01443(12) 0.0413(10) Uani 1 1 d . . .
O7 O 0.2810(3) 1.1017(3) 0.01153(13) 0.0482(11) Uani 1 1 d . . .
O8 O 0.2178(3) 1.0197(3) 0.07865(13) 0.0378(10) Uani 1 1 d . . .
O9 O 0.1350(2) 0.8728(3) 0.15041(11) 0.0288(9) Uani 1 1 d . . .
O10 O 0.0925(2) 0.8631(3) 0.07031(12) 0.0332(9) Uani 1 1 d . . .
O11 O 0.2860(2) 0.9632(3) 0.16859(11) 0.0291(9) Uani 1 1 d . . .
O12 O 0.3718(5) 1.1266(4) 0.1602(2) 0.092(2) Uani 1 1 d U . .
N1 N 0.3813(3) 0.6684(3) 0.04873(14) 0.0304(11) Uani 1 1 d . . .
H1 H 0.3249 0.6856 0.0376 0.036 Uiso 1 1 calc R . .
N2 N 0.3412(3) 0.5043(3) 0.09270(16) 0.0364(12) Uani 1 1 d . . .
N3 N 0.4789(3) 0.6080(3) 0.13589(15) 0.0352(11) Uani 1 1 d . . .
H3 H 0.5202 0.6174 0.1152 0.042 Uiso 1 1 calc R . .
N4 N 0.2603(3) 0.5934(4) 0.16240(15) 0.0382(12) Uani 1 1 d . . .
H4 H 0.2883 0.6056 0.1878 0.046 Uiso 1 1 calc R . .
N5 N 0.1420(3) 1.0893(3) 0.16502(15) 0.0365(12) Uani 1 1 d . . .
H5 H 0.1985 1.0986 0.1535 0.044 Uiso 1 1 calc R . .
N6 N 0.1778(4) 1.0579(4) 0.25061(16) 0.0454(14) Uani 1 1 d . . .
N7 N 0.2393(4) 0.8687(4) 0.24503(15) 0.0445(13) Uani 1 1 d . . .
H7 H 0.2031 0.8165 0.2498 0.053 Uiso 1 1 calc R . .
N8 N 0.0326(3) 0.9413(4) 0.22116(15) 0.0400(13) Uani 1 1 d . . .
H8 H -0.0062 0.9825 0.2071 0.048 Uiso 1 1 calc R . .
C1 C 0.1640(6) 0.9596(6) -0.0814(2) 0.0694(19) Uani 1 1 d U . .
H1A H 0.2013 0.9879 -0.1026 0.104 Uiso 1 1 calc R . .
H1B H 0.1153 1.0031 -0.0742 0.104 Uiso 1 1 calc R . .
H1C H 0.1374 0.9008 -0.0918 0.104 Uiso 1 1 calc R . .
C2 C 0.2891(5) 0.8752(5) -0.04815(19) 0.0431(14) Uani 1 1 d U . .
C3 C 0.3152(5) 0.8323(5) -0.08441(19) 0.0485(16) Uani 1 1 d U . .
H3A H 0.2857 0.8475 -0.1099 0.058 Uiso 1 1 calc R . .
C4 C 0.3853(5) 0.7666(5) -0.0828(2) 0.0524(17) Uani 1 1 d U . .
H4A H 0.4041 0.7386 -0.1077 0.063 Uiso 1 1 calc R . .
C5 C 0.4289(5) 0.7405(5) -0.0458(2) 0.0468(16) Uani 1 1 d U . .
H5A H 0.4762 0.6951 -0.0458 0.056 Uiso 1 1 calc R . .
C6 C 0.4027(4) 0.7813(4) -0.00884(18) 0.0349(13) Uani 1 1 d U . .
C7 C 0.3330(4) 0.8494(5) -0.01013(18) 0.0379(13) Uani 1 1 d DU . .
C8 C 0.4404(4) 0.7447(4) 0.03261(18) 0.0379(14) Uani 1 1 d U . .
H8A H 0.5027 0.7202 0.0291 0.045 Uiso 1 1 calc R . .
H8B H 0.4437 0.7970 0.0527 0.045 Uiso 1 1 calc R . .
C9 C 0.3957(5) 0.5758(5) 0.0281(2) 0.0451(15) Uani 1 1 d U . .
H9A H 0.4596 0.5554 0.0323 0.054 Uiso 1 1 calc R . .
H9B H 0.3830 0.5816 -0.0019 0.054 Uiso 1 1 calc R . .
C10 C 0.3314(5) 0.5033(5) 0.04677(19) 0.0449(15) Uani 1 1 d U . .
H10A H 0.2678 0.5183 0.0384 0.054 Uiso 1 1 calc R . .
H10B H 0.3458 0.4399 0.0363 0.054 Uiso 1 1 calc R . .
C11 C 0.4302(4) 0.4583(4) 0.1067(2) 0.0446(15) Uani 1 1 d U . .
H11A H 0.4726 0.4592 0.0835 0.054 Uiso 1 1 calc R . .
H11B H 0.4183 0.3917 0.1136 0.054 Uiso 1 1 calc R . .
C12 C 0.4763(5) 0.5064(4) 0.1442(2) 0.0451(15) Uani 1 1 d U . .
H12A H 0.4416 0.4938 0.1693 0.054 Uiso 1 1 calc R . .
H12B H 0.5388 0.4818 0.1486 0.054 Uiso 1 1 calc R . .
C13 C 0.2604(4) 0.4603(5) 0.1119(2) 0.0437(15) Uani 1 1 d U . .
H13A H 0.2653 0.3910 0.1100 0.052 Uiso 1 1 calc R . .
H13B H 0.2045 0.4798 0.0965 0.052 Uiso 1 1 calc R . .
C14 C 0.2530(5) 0.4886(5) 0.1569(2) 0.0472(16) Uani 1 1 d U . .
H14A H 0.1939 0.4669 0.1673 0.057 Uiso 1 1 calc R . .
H14B H 0.3019 0.4575 0.1734 0.057 Uiso 1 1 calc R . .
C15 C 0.5103(4) 0.6660(5) 0.1722(2) 0.0431(15) Uani 1 1 d U . .
H15A H 0.4615 0.6694 0.1925 0.052 Uiso 1 1 calc R . .
H15B H 0.5641 0.6362 0.1856 0.052 Uiso 1 1 calc R . .
C16 C 0.5342(4) 0.7631(5) 0.15821(18) 0.0369(14) Uani 1 1 d U . .
C17 C 0.6238(4) 0.7992(5) 0.1638(2) 0.0509(17) Uani 1 1 d U . .
H17 H 0.6684 0.7621 0.1779 0.061 Uiso 1 1 calc R . .
C18 C 0.6473(4) 0.8860(5) 0.1493(2) 0.0530(17) Uani 1 1 d U . .
H18 H 0.7071 0.9096 0.1538 0.064 Uiso 1 1 calc R . .
C19 C 0.5818(4) 0.9398(5) 0.1277(2) 0.0456(15) Uani 1 1 d U . .
H19 H 0.5976 1.0000 0.1175 0.055 Uiso 1 1 calc R . .
C20 C 0.4929(4) 0.9054(4) 0.12093(18) 0.0331(13) Uani 1 1 d U . .
C21 C 0.4673(4) 0.8176(4) 0.13648(17) 0.0310(12) Uani 1 1 d U . .
C22 C 0.4471(5) 1.0355(5) 0.0770(2) 0.0535(15) Uani 1 1 d U . .
H22A H 0.3922 1.0673 0.0664 0.080 Uiso 1 1 calc R . .
H22B H 0.4847 1.0168 0.0540 0.080 Uiso 1 1 calc R . .
H22C H 0.4816 1.0784 0.0952 0.080 Uiso 1 1 calc R . .
C23 C 0.1667(4) 0.6379(4) 0.16163(18) 0.0380(14) Uani 1 1 d U . .
H23A H 0.1726 0.7056 0.1683 0.046 Uiso 1 1 calc R . .
H23B H 0.1297 0.6083 0.1831 0.046 Uiso 1 1 calc R . .
C24 C 0.1175(4) 0.6271(4) 0.11955(19) 0.0360(13) Uani 1 1 d U . .
C25 C 0.0386(4) 0.5709(5) 0.1130(2) 0.0443(15) Uani 1 1 d U . .
H25 H 0.0104 0.5424 0.1358 0.053 Uiso 1 1 calc R . .
C26 C 0.0024(4) 0.5573(5) 0.0735(2) 0.0508(16) Uani 1 1 d U . .
H26 H -0.0519 0.5218 0.0698 0.061 Uiso 1 1 calc R . .
C27 C 0.0443(4) 0.5948(5) 0.0394(2) 0.0455(15) Uani 1 1 d U . .
H27 H 0.0205 0.5832 0.0124 0.055 Uiso 1 1 calc R . .
C28 C 0.1234(4) 0.6507(4) 0.04567(19) 0.0356(13) Uani 1 1 d U . .
C29 C 0.1582(4) 0.6690(4) 0.08610(18) 0.0328(12) Uani 1 1 d U . .
C30 C 0.1505(5) 0.6634(5) -0.0272(2) 0.0553(15) Uani 1 1 d U . .
H30A H 0.1936 0.6923 -0.0459 0.083 Uiso 1 1 calc R . .
H30B H 0.0888 0.6843 -0.0345 0.083 Uiso 1 1 calc R . .
H30C H 0.1540 0.5948 -0.0295 0.083 Uiso 1 1 calc R . .
C31 C 0.3210(5) 1.1462(6) -0.0228(2) 0.0655(18) Uani 1 1 d U . .
H31A H 0.2736 1.1610 -0.0436 0.098 Uiso 1 1 calc R . .
H31B H 0.3658 1.1039 -0.0347 0.098 Uiso 1 1 calc R . .
H31C H 0.3511 1.2043 -0.0137 0.098 Uiso 1 1 calc R . .
C32 C 0.2191(4) 1.1538(5) 0.0337(2) 0.0416(14) Uani 1 1 d U . .
C33 C 0.1909(5) 1.2436(5) 0.0241(2) 0.0495(16) Uani 1 1 d U . .
H33 H 0.2150 1.2755 0.0011 0.059 Uiso 1 1 calc R . .
C34 C 0.1260(5) 1.2877(5) 0.0485(2) 0.0570(18) Uani 1 1 d U . .
H34 H 0.1066 1.3497 0.0421 0.068 Uiso 1 1 calc R . .
C35 C 0.0905(5) 1.2417(5) 0.0814(2) 0.0524(17) Uani 1 1 d U . .
H35 H 0.0461 1.2723 0.0973 0.063 Uiso 1 1 calc R . .
C36 C 0.1185(4) 1.1500(4) 0.0922(2) 0.0394(14) Uani 1 1 d U . .
C37 C 0.1862(4) 1.1052(4) 0.06908(19) 0.0368(13) Uani 1 1 d U . .
C38 C 0.0784(4) 1.0964(5) 0.1274(2) 0.0445(15) Uani 1 1 d U . .
H38A H 0.0625 1.0322 0.1179 0.053 Uiso 1 1 calc R . .
H38B H 0.0215 1.1277 0.1355 0.053 Uiso 1 1 calc R . .
C39 C 0.1360(5) 1.1709(5) 0.1935(2) 0.0550(17) Uani 1 1 d U . .
H39A H 0.0722 1.1802 0.2015 0.066 Uiso 1 1 calc R . .
H39B H 0.1567 1.2287 0.1796 0.066 Uiso 1 1 calc R . .
C40 C 0.1969(5) 1.1513(5) 0.2322(2) 0.0560(17) Uani 1 1 d U . .
H40A H 0.2615 1.1540 0.2246 0.067 Uiso 1 1 calc R . .
H40B H 0.1866 1.2009 0.2530 0.067 Uiso 1 1 calc R . .
C41 C 0.0873(5) 1.0583(6) 0.2719(2) 0.0564(18) Uani 1 1 d U . .
H41A H 0.0502 1.1114 0.2612 0.068 Uiso 1 1 calc R . .
H41B H 0.0983 1.0687 0.3018 0.068 Uiso 1 1 calc R . .
C42 C 0.0344(5) 0.9675(6) 0.2657(2) 0.0557(18) Uani 1 1 d U . .
H42A H 0.0635 0.9166 0.2822 0.067 Uiso 1 1 calc R . .
H42B H -0.0285 0.9757 0.2752 0.067 Uiso 1 1 calc R . .
C43 C -0.0002(4) 0.8436(5) 0.21359(19) 0.0433(15) Uani 1 1 d U . .
H43A H -0.0562 0.8327 0.2292 0.052 Uiso 1 1 calc R . .
H43B H 0.0465 0.7985 0.2237 0.052 Uiso 1 1 calc R . .
C44 C -0.0200(4) 0.8266(4) 0.16810(19) 0.0361(13) Uani 1 1 d U . .
C45 C -0.1060(4) 0.7933(5) 0.1538(2) 0.0424(15) Uani 1 1 d U . .
H45 H -0.1511 0.7803 0.1734 0.051 Uiso 1 1 calc R . .
C46 C -0.1270(4) 0.7789(5) 0.1124(2) 0.0465(16) Uani 1 1 d U . .
H46 H -0.1843 0.7539 0.1039 0.056 Uiso 1 1 calc R . .
C47 C -0.0619(4) 0.8021(4) 0.0833(2) 0.0409(14) Uani 1 1 d U . .
H47 H -0.0752 0.7941 0.0547 0.049 Uiso 1 1 calc R . .
C48 C 0.0231(4) 0.8371(4) 0.09688(18) 0.0324(12) Uani 1 1 d U . .
C49 C 0.0474(4) 0.8461(4) 0.13907(18) 0.0304(12) Uani 1 1 d U . .
C50 C 0.0636(4) 0.8907(5) 0.02902(19) 0.0454(14) Uani 1 1 d U . .
H50A H 0.1153 0.9170 0.0146 0.068 Uiso 1 1 calc R . .
H50B H 0.0155 0.9381 0.0306 0.068 Uiso 1 1 calc R . .
H50C H 0.0403 0.8356 0.0140 0.068 Uiso 1 1 calc R . .
C51 C 0.2541(5) 1.0259(5) 0.2788(2) 0.0539(17) Uani 1 1 d U . .
H51A H 0.2493 1.0577 0.3058 0.065 Uiso 1 1 calc R . .
H51B H 0.3129 1.0441 0.2669 0.065 Uiso 1 1 calc R . .
C52 C 0.2524(5) 0.9197(6) 0.2852(2) 0.0587(18) Uani 1 1 d U . .
H52A H 0.3103 0.8995 0.2987 0.070 Uiso 1 1 calc R . .
H52B H 0.2023 0.9033 0.3037 0.070 Uiso 1 1 calc R . .
C53 C 0.3300(5) 0.8335(5) 0.2297(2) 0.0522(17) Uani 1 1 d U . .
H53A H 0.3583 0.7913 0.2506 0.063 Uiso 1 1 calc R . .
H53B H 0.3195 0.7968 0.2040 0.063 Uiso 1 1 calc R . .
C54 C 0.3936(4) 0.9137(5) 0.2213(2) 0.0465(15) Uani 1 1 d U . .
C55 C 0.4788(5) 0.9280(7) 0.2430(2) 0.0671(19) Uani 1 1 d U . .
H55 H 0.5008 0.8833 0.2625 0.080 Uiso 1 1 calc R . .
C56 C 0.5280(6) 1.0085(8) 0.2348(3) 0.078(2) Uani 1 1 d U . .
H56 H 0.5862 1.0158 0.2477 0.093 Uiso 1 1 calc R . .
C57 C 0.4970(6) 1.0776(7) 0.2090(3) 0.078(2) Uani 1 1 d U . .
H57 H 0.5308 1.1339 0.2059 0.094 Uiso 1 1 calc R . .
C58 C 0.4133(5) 1.0643(6) 0.1867(2) 0.0588(16) Uani 1 1 d U . .
C59 C 0.3641(4) 0.9785(5) 0.1915(2) 0.0432(14) Uani 1 1 d U . .
C60 C 0.4058(7) 1.2211(7) 0.1600(3) 0.097(2) Uani 1 1 d U . .
H60A H 0.3858 1.2523 0.1344 0.145 Uiso 1 1 calc R . .
H60B H 0.4723 1.2200 0.1618 0.145 Uiso 1 1 calc R . .
H60C H 0.3823 1.2555 0.1836 0.145 Uiso 1 1 calc R . .
Cl1 Cl 0.69983(13) 0.55595(15) 0.08025(6) 0.0580(5) Uani 1 1 d . . .
O13 O 0.6294(9) 0.6129(12) 0.0691(5) 0.298(10) Uani 1 1 d . . .
O14 O 0.7242(10) 0.5791(11) 0.1168(3) 0.276(9) Uani 1 1 d . . .
O15 O 0.6559(9) 0.4743(8) 0.0797(4) 0.214(6) Uani 1 1 d . . .
O16 O 0.7623(5) 0.5707(6) 0.0499(2) 0.118(3) Uani 1 1 d . . .
Cl2 Cl 0.19038(14) 0.61072(17) 0.28642(6) 0.0694(6) Uani 1 1 d . . .
O17 O 0.2599(7) 0.6520(9) 0.3102(3) 0.190(5) Uani 1 1 d . . .
O18 O 0.1235(6) 0.6725(7) 0.2702(3) 0.150(3) Uani 1 1 d . . .
O19 O 0.1476(7) 0.5560(8) 0.3139(3) 0.176(4) Uani 1 1 d . . .
O20 O 0.2269(9) 0.5656(14) 0.2565(2) 0.333(12) Uani 1 1 d . . .
O1W O 0.1191(18) 0.871(3) 0.3680(6) 0.221(17) Uani 0.50 1 d P . .
O2W O 0.101(3) 0.8050(19) 0.3467(13) 0.30(2) Uani 0.50 1 d P . .


_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 O8 2.142(4) . ?
Dy1 O9 2.281(3) . ?
Dy1 O5 2.286(4) . ?
Dy1 O11 2.303(4) . ?
Dy1 O3 2.329(3) . ?
Dy1 O4 2.580(4) . ?
Dy1 O10 2.607(4) . ?
Dy1 O2 2.646(4) . ?
Dy1 Ni2 3.4724(8) . ?
Ni1 O3 2.052(4) . ?
Ni1 N3 2.068(5) . ?
Ni1 O5 2.069(3) . ?
Ni1 N1 2.097(4) . ?
Ni1 N2 2.129(5) . ?
Ni1 N4 2.227(5) . ?
Ni2 O9 2.040(4) . ?
Ni2 O11 2.042(3) . ?
Ni2 N8 2.052(5) . ?
Ni2 N6 2.101(5) . ?
Ni2 N5 2.120(5) . ?
Ni2 N7 2.192(5) . ?
O1 C2 1.349(8) . ?
O1 C1 1.419(8) . ?
O2 C7 1.368(7) . ?
O2 H2 0.847(10) . ?
O3 C21 1.347(6) . ?
O4 C20 1.378(7) . ?
O4 C22 1.419(7) . ?
O5 C29 1.341(6) . ?
O6 C28 1.359(7) . ?
O6 C30 1.406(7) . ?
O7 C32 1.362(8) . ?
O7 C31 1.393(8) . ?
O8 C37 1.309(7) . ?
O9 C49 1.356(6) . ?
O10 C48 1.376(7) . ?
O10 C50 1.420(7) . ?
O11 C59 1.342(7) . ?
O12 C58 1.339(10) . ?
O12 C60 1.405(10) . ?
N1 C8 1.463(7) . ?
N1 C9 1.465(7) . ?
N1 H1 0.9100 . ?
N2 C10 1.464(8) . ?
N2 C13 1.465(7) . ?
N2 C11 1.491(7) . ?
N3 C12 1.441(8) . ?
N3 C15 1.470(8) . ?
N3 H3 0.9100 . ?
N4 C14 1.474(8) . ?
N4 C23 1.485(7) . ?
N4 H4 0.9100 . ?
N5 C39 1.458(8) . ?
N5 C38 1.490(8) . ?
N5 H5 0.9100 . ?
N6 C40 1.456(9) . ?
N6 C51 1.469(8) . ?
N6 C41 1.487(8) . ?
N7 C52 1.470(8) . ?
N7 C53 1.491(8) . ?
N7 H7 0.9100 . ?
N8 C43 1.459(8) . ?
N8 C42 1.462(8) . ?
N8 H8 0.9100 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.361(9) . ?
C2 C7 1.397(8) . ?
C3 C4 1.363(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.368(9) . ?
C4 H4A 0.9300 . ?
C5 C6 1.369(8) . ?
C5 H5A 0.9300 . ?
C6 C7 1.381(8) . ?
C6 C8 1.501(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.504(9) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.508(9) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.491(9) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.469(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.393(8) . ?
C16 C21 1.395(8) . ?
C17 C18 1.342(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.375(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.379(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.374(8) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.505(8) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C29 1.361(8) . ?
C24 C25 1.393(8) . ?
C25 C26 1.360(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.360(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.391(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.391(8) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.349(9) . ?
C32 C37 1.406(9) . ?
C33 C34 1.377(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.339(10) . ?
C34 H34 0.9300 . ?
C35 C36 1.382(9) . ?
C35 H35 0.9300 . ?
C36 C37 1.387(9) . ?
C36 C38 1.477(9) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.518(10) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.489(10) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.486(8) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C49 1.385(8) . ?
C44 C45 1.388(8) . ?
C45 C46 1.359(9) . ?
C45 H45 0.9300 . ?
C46 C47 1.373(9) . ?
C46 H46 0.9300 . ?
C47 C48 1.378(8) . ?
C47 H47 0.9300 . ?
C48 C49 1.383(8) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C52 1.493(10) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.474(10) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 C59 1.367(9) . ?
C54 C55 1.407(9) . ?
C55 C56 1.356(12) . ?
C55 H55 0.9300 . ?
C56 C57 1.333(12) . ?
C56 H56 0.9300 . ?
C57 C58 1.395(11) . ?
C57 H57 0.9300 . ?
C58 C59 1.401(10) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
Cl1 O14 1.248(8) . ?
Cl1 O15 1.303(9) . ?
Cl1 O13 1.329(10) . ?
Cl1 O16 1.353(6) . ?
Cl2 O20 1.265(10) . ?
Cl2 O19 1.325(8) . ?
Cl2 O17 1.366(9) . ?
Cl2 O18 1.382(8) . ?
O1W O2W 1.16(3) . ?

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
O8 Dy1 O9 96.94(14) . . ?
O8 Dy1 O5 138.04(14) . . ?
O9 Dy1 O5 86.41(12) . . ?
O8 Dy1 O11 88.37(14) . . ?
O9 Dy1 O11 68.13(12) . . ?
O5 Dy1 O11 130.50(13) . . ?
O8 Dy1 O3 145.35(14) . . ?
O9 Dy1 O3 110.09(13) . . ?
O5 Dy1 O3 67.15(12) . . ?
O11 Dy1 O3 82.30(13) . . ?
O8 Dy1 O4 82.73(13) . . ?
O9 Dy1 O4 142.84(12) . . ?
O5 Dy1 O4 118.40(12) . . ?
O11 Dy1 O4 74.72(12) . . ?
O3 Dy1 O4 62.62(12) . . ?
O8 Dy1 O10 72.72(14) . . ?
O9 Dy1 O10 64.06(12) . . ?
O5 Dy1 O10 71.41(12) . . ?
O11 Dy1 O10 125.20(12) . . ?
O3 Dy1 O10 138.48(12) . . ?
O4 Dy1 O10 146.82(12) . . ?
O8 Dy1 O2 69.75(14) . . ?
O9 Dy1 O2 144.94(13) . . ?
O5 Dy1 O2 83.70(13) . . ?
O11 Dy1 O2 139.93(13) . . ?
O3 Dy1 O2 96.79(12) . . ?
O4 Dy1 O2 69.66(12) . . ?
O10 Dy1 O2 80.91(12) . . ?
O8 Dy1 Ni2 88.72(11) . . ?
O9 Dy1 Ni2 34.22(9) . . ?
O5 Dy1 Ni2 113.96(9) . . ?
O11 Dy1 Ni2 34.44(9) . . ?
O3 Dy1 Ni2 101.40(9) . . ?
O4 Dy1 Ni2 108.91(9) . . ?
O10 Dy1 Ni2 92.81(8) . . ?
O2 Dy1 Ni2 158.47(9) . . ?
O3 Ni1 N3 89.72(16) . . ?
O3 Ni1 O5 76.52(14) . . ?
N3 Ni1 O5 166.19(16) . . ?
O3 Ni1 N1 96.09(16) . . ?
N3 Ni1 N1 99.86(19) . . ?
O5 Ni1 N1 80.79(16) . . ?
O3 Ni1 N2 171.82(16) . . ?
N3 Ni1 N2 83.19(18) . . ?
O5 Ni1 N2 110.45(16) . . ?
N1 Ni1 N2 81.19(18) . . ?
O3 Ni1 N4 104.66(17) . . ?
N3 Ni1 N4 99.93(19) . . ?
O5 Ni1 N4 84.88(16) . . ?
N1 Ni1 N4 151.24(19) . . ?
N2 Ni1 N4 80.68(19) . . ?
O9 Ni2 O11 77.94(14) . . ?
O9 Ni2 N8 89.75(17) . . ?
O11 Ni2 N8 167.69(17) . . ?
O9 Ni2 N6 173.12(18) . . ?
O11 Ni2 N6 107.73(17) . . ?
N8 Ni2 N6 84.5(2) . . ?
O9 Ni2 N5 94.43(17) . . ?
O11 Ni2 N5 81.54(17) . . ?
N8 Ni2 N5 99.1(2) . . ?
N6 Ni2 N5 82.8(2) . . ?
O9 Ni2 N7 103.63(17) . . ?
O11 Ni2 N7 84.95(17) . . ?
N8 Ni2 N7 98.7(2) . . ?
N6 Ni2 N7 81.0(2) . . ?
N5 Ni2 N7 154.6(2) . . ?
O9 Ni2 Dy1 38.96(9) . . ?
O11 Ni2 Dy1 39.61(10) . . ?
N8 Ni2 Dy1 128.12(14) . . ?
N6 Ni2 Dy1 145.83(14) . . ?
N5 Ni2 Dy1 82.15(12) . . ?
N7 Ni2 Dy1 100.77(13) . . ?
C2 O1 C1 118.3(5) . . ?
C7 O2 Dy1 153.1(4) . . ?
C7 O2 H2 111(2) . . ?
Dy1 O2 H2 95(2) . . ?
C21 O3 Ni1 120.4(3) . . ?
C21 O3 Dy1 125.9(3) . . ?
Ni1 O3 Dy1 107.57(14) . . ?
C20 O4 C22 115.9(4) . . ?
C20 O4 Dy1 117.8(3) . . ?
C22 O4 Dy1 126.3(4) . . ?
C29 O5 Ni1 113.5(3) . . ?
C29 O5 Dy1 134.9(3) . . ?
Ni1 O5 Dy1 108.56(14) . . ?
C28 O6 C30 117.6(5) . . ?
C32 O7 C31 117.3(5) . . ?
C37 O8 Dy1 168.5(4) . . ?
C49 O9 Ni2 123.0(3) . . ?
C49 O9 Dy1 125.3(3) . . ?
Ni2 O9 Dy1 106.82(14) . . ?
C48 O10 C50 116.0(4) . . ?
C48 O10 Dy1 115.3(3) . . ?
C50 O10 Dy1 127.7(3) . . ?
C59 O11 Ni2 117.0(3) . . ?
C59 O11 Dy1 132.8(3) . . ?
Ni2 O11 Dy1 105.95(15) . . ?
C58 O12 C60 117.5(8) . . ?
C8 N1 C9 113.1(4) . . ?
C8 N1 Ni1 124.6(4) . . ?
C9 N1 Ni1 111.2(4) . . ?
C8 N1 H1 101.2 . . ?
C9 N1 H1 101.2 . . ?
Ni1 N1 H1 101.2 . . ?
C10 N2 C13 110.8(5) . . ?
C10 N2 C11 110.7(5) . . ?
C13 N2 C11 112.5(5) . . ?
C10 N2 Ni1 107.7(4) . . ?
C13 N2 Ni1 108.7(4) . . ?
C11 N2 Ni1 106.2(4) . . ?
C12 N3 C15 113.9(5) . . ?
C12 N3 Ni1 108.6(4) . . ?
C15 N3 Ni1 112.5(4) . . ?
C12 N3 H3 107.2 . . ?
C15 N3 H3 107.2 . . ?
Ni1 N3 H3 107.2 . . ?
C14 N4 C23 110.4(5) . . ?
C14 N4 Ni1 108.0(4) . . ?
C23 N4 Ni1 112.7(3) . . ?
C14 N4 H4 108.5 . . ?
C23 N4 H4 108.5 . . ?
Ni1 N4 H4 108.5 . . ?
C39 N5 C38 113.6(5) . . ?
C39 N5 Ni2 109.9(4) . . ?
C38 N5 Ni2 124.0(4) . . ?
C39 N5 H5 101.9 . . ?
C38 N5 H5 101.9 . . ?
Ni2 N5 H5 101.9 . . ?
C40 N6 C51 111.8(5) . . ?
C40 N6 C41 111.0(6) . . ?
C51 N6 C41 112.0(5) . . ?
C40 N6 Ni2 106.2(4) . . ?
C51 N6 Ni2 108.9(4) . . ?
C41 N6 Ni2 106.7(4) . . ?
C52 N7 C53 110.6(5) . . ?
C52 N7 Ni2 109.3(4) . . ?
C53 N7 Ni2 113.7(4) . . ?
C52 N7 H7 107.7 . . ?
C53 N7 H7 107.7 . . ?
Ni2 N7 H7 107.7 . . ?
C43 N8 C42 112.9(5) . . ?
C43 N8 Ni2 111.9(4) . . ?
C42 N8 Ni2 106.9(4) . . ?
C43 N8 H8 108.4 . . ?
C42 N8 H8 108.4 . . ?
Ni2 N8 H8 108.4 . . ?
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 . . ?
O1 C2 C3 125.3(6) . . ?
O1 C2 C7 115.3(5) . . ?
C3 C2 C7 119.4(6) . . ?
C2 C3 C4 119.1(6) . . ?
C2 C3 H3A 120.5 . . ?
C4 C3 H3A 120.5 . . ?
C3 C4 C5 122.2(6) . . ?
C3 C4 H4A 118.9 . . ?
C5 C4 H4A 118.9 . . ?
C4 C5 C6 119.9(6) . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 H5A 120.1 . . ?
C5 C6 C7 118.5(6) . . ?
C5 C6 C8 120.8(6) . . ?
C7 C6 C8 120.3(5) . . ?
O2 C7 C6 120.1(5) . . ?
O2 C7 C2 118.9(6) . . ?
C6 C7 C2 121.0(6) . . ?
N1 C8 C6 110.8(5) . . ?
N1 C8 H8A 109.5 . . ?
C6 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
N1 C9 C10 108.6(5) . . ?
N1 C9 H9A 110.0 . . ?
C10 C9 H9A 110.0 . . ?
N1 C9 H9B 110.0 . . ?
C10 C9 H9B 110.0 . . ?
H9A C9 H9B 108.4 . . ?
N2 C10 C9 110.1(5) . . ?
N2 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
N2 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.2 . . ?
N2 C11 C12 113.7(5) . . ?
N2 C11 H11A 108.8 . . ?
C12 C11 H11A 108.8 . . ?
N2 C11 H11B 108.8 . . ?
C12 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
N3 C12 C11 107.7(5) . . ?
N3 C12 H12A 110.2 . . ?
C11 C12 H12A 110.2 . . ?
N3 C12 H12B 110.2 . . ?
C11 C12 H12B 110.2 . . ?
H12A C12 H12B 108.5 . . ?
N2 C13 C14 111.6(5) . . ?
N2 C13 H13A 109.3 . . ?
C14 C13 H13A 109.3 . . ?
N2 C13 H13B 109.3 . . ?
C14 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
N4 C14 C13 111.7(5) . . ?
N4 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
N4 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
C16 C15 N3 109.9(5) . . ?
C16 C15 H15A 109.7 . . ?
N3 C15 H15A 109.7 . . ?
C16 C15 H15B 109.7 . . ?
N3 C15 H15B 109.7 . . ?
H15A C15 H15B 108.2 . . ?
C17 C16 C21 119.5(6) . . ?
C17 C16 C15 121.2(6) . . ?
C21 C16 C15 119.1(5) . . ?
C18 C17 C16 121.6(6) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C17 C18 C19 119.2(6) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C18 C19 C20 120.7(6) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C21 C20 O4 113.3(5) . . ?
C21 C20 C19 120.7(6) . . ?
O4 C20 C19 125.9(6) . . ?
O3 C21 C20 118.4(5) . . ?
O3 C21 C16 123.4(5) . . ?
C20 C21 C16 118.3(5) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C24 112.3(5) . . ?
N4 C23 H23A 109.1 . . ?
C24 C23 H23A 109.1 . . ?
N4 C23 H23B 109.1 . . ?
C24 C23 H23B 109.1 . . ?
H23A C23 H23B 107.9 . . ?
C29 C24 C25 119.6(6) . . ?
C29 C24 C23 116.7(5) . . ?
C25 C24 C23 123.5(6) . . ?
C26 C25 C24 120.5(6) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C27 C26 C25 121.0(6) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C26 C27 C28 118.8(6) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
O6 C28 C27 124.8(6) . . ?
O6 C28 C29 114.6(5) . . ?
C27 C28 C29 120.6(6) . . ?
O5 C29 C24 119.6(5) . . ?
O5 C29 C28 121.0(5) . . ?
C24 C29 C28 119.4(5) . . ?
O6 C30 H30A 109.5 . . ?
O6 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O6 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O7 C31 H31A 109.5 . . ?
O7 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O7 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 O7 125.1(6) . . ?
C33 C32 C37 121.5(7) . . ?
O7 C32 C37 113.4(5) . . ?
C32 C33 C34 119.4(7) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C35 C34 C33 120.5(7) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 121.5(7) . . ?
C34 C35 H35 119.3 . . ?
C36 C35 H35 119.3 . . ?
C35 C36 C37 119.3(6) . . ?
C35 C36 C38 122.7(6) . . ?
C37 C36 C38 118.1(6) . . ?
O8 C37 C36 122.2(5) . . ?
O8 C37 C32 120.1(6) . . ?
C36 C37 C32 117.7(6) . . ?
C36 C38 N5 113.4(5) . . ?
C36 C38 H38A 108.9 . . ?
N5 C38 H38A 108.9 . . ?
C36 C38 H38B 108.9 . . ?
N5 C38 H38B 108.9 . . ?
H38A C38 H38B 107.7 . . ?
N5 C39 C40 108.7(5) . . ?
N5 C39 H39A 110.0 . . ?
C40 C39 H39A 110.0 . . ?
N5 C39 H39B 110.0 . . ?
C40 C39 H39B 110.0 . . ?
H39A C39 H39B 108.3 . . ?
N6 C40 C39 112.1(6) . . ?
N6 C40 H40A 109.2 . . ?
C39 C40 H40A 109.2 . . ?
N6 C40 H40B 109.2 . . ?
C39 C40 H40B 109.2 . . ?
H40A C40 H40B 107.9 . . ?
N6 C41 C42 112.9(6) . . ?
N6 C41 H41A 109.0 . . ?
C42 C41 H41A 109.0 . . ?
N6 C41 H41B 109.0 . . ?
C42 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
N8 C42 C41 109.7(6) . . ?
N8 C42 H42A 109.7 . . ?
C41 C42 H42A 109.7 . . ?
N8 C42 H42B 109.7 . . ?
C41 C42 H42B 109.7 . . ?
H42A C42 H42B 108.2 . . ?
N8 C43 C44 111.2(5) . . ?
N8 C43 H43A 109.4 . . ?
C44 C43 H43A 109.4 . . ?
N8 C43 H43B 109.4 . . ?
C44 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?
C49 C44 C45 119.0(6) . . ?
C49 C44 C43 119.9(5) . . ?
C45 C44 C43 121.2(5) . . ?
C46 C45 C44 122.6(6) . . ?
C46 C45 H45 118.7 . . ?
C44 C45 H45 118.7 . . ?
C45 C46 C47 118.7(6) . . ?
C45 C46 H46 120.6 . . ?
C47 C46 H46 120.6 . . ?
C46 C47 C48 119.3(6) . . ?
C46 C47 H47 120.3 . . ?
C48 C47 H47 120.3 . . ?
O10 C48 C47 123.8(5) . . ?
O10 C48 C49 113.7(5) . . ?
C47 C48 C49 122.4(5) . . ?
O9 C49 C48 119.5(5) . . ?
O9 C49 C44 122.8(5) . . ?
C48 C49 C44 117.7(5) . . ?
O10 C50 H50A 109.5 . . ?
O10 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
O10 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N6 C51 C52 111.7(6) . . ?
N6 C51 H51A 109.3 . . ?
C52 C51 H51A 109.3 . . ?
N6 C51 H51B 109.3 . . ?
C52 C51 H51B 109.3 . . ?
H51A C51 H51B 107.9 . . ?
N7 C52 C51 111.3(6) . . ?
N7 C52 H52A 109.4 . . ?
C51 C52 H52A 109.4 . . ?
N7 C52 H52B 109.4 . . ?
C51 C52 H52B 109.4 . . ?
H52A C52 H52B 108.0 . . ?
C54 C53 N7 111.4(6) . . ?
C54 C53 H53A 109.3 . . ?
N7 C53 H53A 109.3 . . ?
C54 C53 H53B 109.3 . . ?
N7 C53 H53B 109.3 . . ?
H53A C53 H53B 108.0 . . ?
C59 C54 C55 119.8(7) . . ?
C59 C54 C53 116.3(6) . . ?
C55 C54 C53 123.9(7) . . ?
C56 C55 C54 118.5(8) . . ?
C56 C55 H55 120.7 . . ?
C54 C55 H55 120.7 . . ?
C57 C56 C55 123.1(8) . . ?
C57 C56 H56 118.4 . . ?
C55 C56 H56 118.4 . . ?
C56 C57 C58 119.2(8) . . ?
C56 C57 H57 120.4 . . ?
C58 C57 H57 120.4 . . ?
O12 C58 C57 126.8(8) . . ?
O12 C58 C59 113.7(7) . . ?
C57 C58 C59 119.4(9) . . ?
O11 C59 C54 120.8(6) . . ?
O11 C59 C58 119.7(7) . . ?
C54 C59 C58 119.4(7) . . ?
O12 C60 H60A 109.5 . . ?
O12 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
O12 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O14 Cl1 O15 111.3(7) . . ?
O14 Cl1 O13 106.7(11) . . ?
O15 Cl1 O13 98.6(10) . . ?
O14 Cl1 O16 116.7(7) . . ?
O15 Cl1 O16 117.1(6) . . ?
O13 Cl1 O16 103.7(6) . . ?
O20 Cl2 O19 114.8(11) . . ?
O20 Cl2 O17 108.1(9) . . ?
O19 Cl2 O17 103.0(7) . . ?
O20 Cl2 O18 109.2(6) . . ?
O19 Cl2 O18 105.8(7) . . ?
O17 Cl2 O18 116.0(7) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O8 Dy1 Ni2 O9 104.3(2) . . . . ?
O5 Dy1 Ni2 O9 -39.18(19) . . . . ?
O11 Dy1 Ni2 O9 -166.7(2) . . . . ?
O3 Dy1 Ni2 O9 -109.06(19) . . . . ?
O4 Dy1 Ni2 O9 -173.79(19) . . . . ?
O10 Dy1 Ni2 O9 31.70(19) . . . . ?
O2 Dy1 Ni2 O9 103.8(3) . . . . ?
O8 Dy1 Ni2 O11 -88.99(19) . . . . ?
O9 Dy1 Ni2 O11 166.7(2) . . . . ?
O5 Dy1 Ni2 O11 127.50(19) . . . . ?
O3 Dy1 Ni2 O11 57.62(19) . . . . ?
O4 Dy1 Ni2 O11 -7.12(19) . . . . ?
O10 Dy1 Ni2 O11 -161.62(18) . . . . ?
O2 Dy1 Ni2 O11 -89.5(3) . . . . ?
O8 Dy1 Ni2 N8 92.6(2) . . . . ?
O9 Dy1 Ni2 N8 -11.7(3) . . . . ?
O5 Dy1 Ni2 N8 -50.9(2) . . . . ?
O11 Dy1 Ni2 N8 -178.4(3) . . . . ?
O3 Dy1 Ni2 N8 -120.8(2) . . . . ?
O4 Dy1 Ni2 N8 174.5(2) . . . . ?
O10 Dy1 Ni2 N8 20.0(2) . . . . ?
O2 Dy1 Ni2 N8 92.1(3) . . . . ?
O8 Dy1 Ni2 N6 -67.4(3) . . . . ?
O9 Dy1 Ni2 N6 -171.7(3) . . . . ?
O5 Dy1 Ni2 N6 149.1(3) . . . . ?
O11 Dy1 Ni2 N6 21.6(3) . . . . ?
O3 Dy1 Ni2 N6 79.2(3) . . . . ?
O4 Dy1 Ni2 N6 14.5(3) . . . . ?
O10 Dy1 Ni2 N6 -140.0(3) . . . . ?
O2 Dy1 Ni2 N6 -67.9(4) . . . . ?
O8 Dy1 Ni2 N5 -2.79(17) . . . . ?
O9 Dy1 Ni2 N5 -107.1(2) . . . . ?
O5 Dy1 Ni2 N5 -146.30(17) . . . . ?
O11 Dy1 Ni2 N5 86.2(2) . . . . ?
O3 Dy1 Ni2 N5 143.82(16) . . . . ?
O4 Dy1 Ni2 N5 79.08(16) . . . . ?
O10 Dy1 Ni2 N5 -75.42(16) . . . . ?
O2 Dy1 Ni2 N5 -3.3(3) . . . . ?
O8 Dy1 Ni2 N7 -157.25(18) . . . . ?
O9 Dy1 Ni2 N7 98.4(2) . . . . ?
O5 Dy1 Ni2 N7 59.24(17) . . . . ?
O11 Dy1 Ni2 N7 -68.3(2) . . . . ?
O3 Dy1 Ni2 N7 -10.64(17) . . . . ?
O4 Dy1 Ni2 N7 -75.38(17) . . . . ?
O10 Dy1 Ni2 N7 130.12(17) . . . . ?
O2 Dy1 Ni2 N7 -157.7(3) . . . . ?
O8 Dy1 O2 C7 -167.3(8) . . . . ?
O9 Dy1 O2 C7 -94.8(8) . . . . ?
O5 Dy1 O2 C7 -20.3(8) . . . . ?
O11 Dy1 O2 C7 131.8(8) . . . . ?
O3 Dy1 O2 C7 45.7(8) . . . . ?
O4 Dy1 O2 C7 103.1(8) . . . . ?
O10 Dy1 O2 C7 -92.4(8) . . . . ?
Ni2 Dy1 O2 C7 -166.7(7) . . . . ?
N3 Ni1 O3 C21 21.4(4) . . . . ?
O5 Ni1 O3 C21 -157.4(4) . . . . ?
N1 Ni1 O3 C21 -78.5(4) . . . . ?
N2 Ni1 O3 C21 -8.4(14) . . . . ?
N4 Ni1 O3 C21 121.6(4) . . . . ?
N3 Ni1 O3 Dy1 175.35(18) . . . . ?
O5 Ni1 O3 Dy1 -3.52(14) . . . . ?
N1 Ni1 O3 Dy1 75.47(18) . . . . ?
N2 Ni1 O3 Dy1 145.6(11) . . . . ?
N4 Ni1 O3 Dy1 -84.45(18) . . . . ?
O8 Dy1 O3 C21 11.4(5) . . . . ?
O9 Dy1 O3 C21 -127.6(4) . . . . ?
O5 Dy1 O3 C21 155.5(4) . . . . ?
O11 Dy1 O3 C21 -64.3(4) . . . . ?
O4 Dy1 O3 C21 12.4(4) . . . . ?
O10 Dy1 O3 C21 159.2(3) . . . . ?
O2 Dy1 O3 C21 75.3(4) . . . . ?
Ni2 Dy1 O3 C21 -93.2(4) . . . . ?
O8 Dy1 O3 Ni1 -140.7(2) . . . . ?
O9 Dy1 O3 Ni1 80.27(17) . . . . ?
O5 Dy1 O3 Ni1 3.36(14) . . . . ?
O11 Dy1 O3 Ni1 143.55(17) . . . . ?
O4 Dy1 O3 Ni1 -139.7(2) . . . . ?
O10 Dy1 O3 Ni1 7.1(3) . . . . ?
O2 Dy1 O3 Ni1 -76.84(17) . . . . ?
Ni2 Dy1 O3 Ni1 114.74(13) . . . . ?
O8 Dy1 O4 C20 167.8(4) . . . . ?
O9 Dy1 O4 C20 75.9(4) . . . . ?
O5 Dy1 O4 C20 -50.7(4) . . . . ?
O11 Dy1 O4 C20 77.5(4) . . . . ?
O3 Dy1 O4 C20 -11.7(3) . . . . ?
O10 Dy1 O4 C20 -150.2(3) . . . . ?
O2 Dy1 O4 C20 -121.2(4) . . . . ?
Ni2 Dy1 O4 C20 81.6(4) . . . . ?
O8 Dy1 O4 C22 -12.2(5) . . . . ?
O9 Dy1 O4 C22 -104.1(5) . . . . ?
O5 Dy1 O4 C22 129.3(5) . . . . ?
O11 Dy1 O4 C22 -102.5(5) . . . . ?
O3 Dy1 O4 C22 168.3(5) . . . . ?
O10 Dy1 O4 C22 29.8(6) . . . . ?
O2 Dy1 O4 C22 58.8(5) . . . . ?
Ni2 Dy1 O4 C22 -98.4(5) . . . . ?
O3 Ni1 O5 C29 -159.9(4) . . . . ?
N3 Ni1 O5 C29 -164.6(7) . . . . ?
N1 Ni1 O5 C29 101.5(4) . . . . ?
N2 Ni1 O5 C29 24.6(4) . . . . ?
N4 Ni1 O5 C29 -53.4(4) . . . . ?
O3 Ni1 O5 Dy1 3.60(15) . . . . ?
N3 Ni1 O5 Dy1 -1.1(8) . . . . ?
N1 Ni1 O5 Dy1 -94.99(18) . . . . ?
N2 Ni1 O5 Dy1 -171.92(17) . . . . ?
N4 Ni1 O5 Dy1 110.02(18) . . . . ?
O8 Dy1 O5 C29 -54.9(5) . . . . ?
O9 Dy1 O5 C29 41.5(5) . . . . ?
O11 Dy1 O5 C29 98.5(5) . . . . ?
O3 Dy1 O5 C29 155.0(5) . . . . ?
O4 Dy1 O5 C29 -167.6(4) . . . . ?
O10 Dy1 O5 C29 -22.4(5) . . . . ?
O2 Dy1 O5 C29 -104.9(5) . . . . ?
Ni2 Dy1 O5 C29 62.3(5) . . . . ?
O8 Dy1 O5 Ni1 146.70(17) . . . . ?
O9 Dy1 O5 Ni1 -116.92(16) . . . . ?
O11 Dy1 O5 Ni1 -59.9(2) . . . . ?
O3 Dy1 O5 Ni1 -3.35(14) . . . . ?
O4 Dy1 O5 Ni1 34.0(2) . . . . ?
O10 Dy1 O5 Ni1 179.27(18) . . . . ?
O2 Dy1 O5 Ni1 96.77(16) . . . . ?
Ni2 Dy1 O5 Ni1 -96.06(13) . . . . ?
O9 Dy1 O8 C37 26.4(19) . . . . ?
O5 Dy1 O8 C37 118.7(19) . . . . ?
O11 Dy1 O8 C37 -41.4(19) . . . . ?
O3 Dy1 O8 C37 -115.3(19) . . . . ?
O4 Dy1 O8 C37 -116.2(19) . . . . ?
O10 Dy1 O8 C37 86.4(19) . . . . ?
O2 Dy1 O8 C37 173(2) . . . . ?
Ni2 Dy1 O8 C37 -6.9(19) . . . . ?
O11 Ni2 O9 C49 -165.0(4) . . . . ?
N8 Ni2 O9 C49 14.5(4) . . . . ?
N6 Ni2 O9 C49 -18.9(17) . . . . ?
N5 Ni2 O9 C49 -84.6(4) . . . . ?
N7 Ni2 O9 C49 113.3(4) . . . . ?
Dy1 Ni2 O9 C49 -156.3(5) . . . . ?
O11 Ni2 O9 Dy1 -8.64(15) . . . . ?
N8 Ni2 O9 Dy1 170.8(2) . . . . ?
N6 Ni2 O9 Dy1 137.4(15) . . . . ?
N5 Ni2 O9 Dy1 71.73(18) . . . . ?
N7 Ni2 O9 Dy1 -90.33(19) . . . . ?
O8 Dy1 O9 C49 78.3(4) . . . . ?
O5 Dy1 O9 C49 -59.7(4) . . . . ?
O11 Dy1 O9 C49 163.7(4) . . . . ?
O3 Dy1 O9 C49 -123.8(4) . . . . ?
O4 Dy1 O9 C49 165.4(4) . . . . ?
O10 Dy1 O9 C49 11.3(4) . . . . ?
O2 Dy1 O9 C49 14.0(5) . . . . ?
Ni2 Dy1 O9 C49 155.6(5) . . . . ?
O8 Dy1 O9 Ni2 -77.36(18) . . . . ?
O5 Dy1 O9 Ni2 144.66(17) . . . . ?
O11 Dy1 O9 Ni2 8.07(14) . . . . ?
O3 Dy1 O9 Ni2 80.59(17) . . . . ?
O4 Dy1 O9 Ni2 9.7(3) . . . . ?
O10 Dy1 O9 Ni2 -144.3(2) . . . . ?
O2 Dy1 O9 Ni2 -141.66(17) . . . . ?
O8 Dy1 O10 C48 -119.4(4) . . . . ?
O9 Dy1 O10 C48 -12.5(3) . . . . ?
O5 Dy1 O10 C48 82.7(4) . . . . ?
O11 Dy1 O10 C48 -44.2(4) . . . . ?
O3 Dy1 O10 C48 79.1(4) . . . . ?
O4 Dy1 O10 C48 -163.6(3) . . . . ?
O2 Dy1 O10 C48 169.1(4) . . . . ?
Ni2 Dy1 O10 C48 -31.6(3) . . . . ?
O8 Dy1 O10 C50 48.7(4) . . . . ?
O9 Dy1 O10 C50 155.7(5) . . . . ?
O5 Dy1 O10 C50 -109.1(5) . . . . ?
O11 Dy1 O10 C50 123.9(4) . . . . ?
O3 Dy1 O10 C50 -112.8(4) . . . . ?
O4 Dy1 O10 C50 4.6(5) . . . . ?
O2 Dy1 O10 C50 -22.8(4) . . . . ?
Ni2 Dy1 O10 C50 136.5(4) . . . . ?
O9 Ni2 O11 C59 -151.4(4) . . . . ?
N8 Ni2 O11 C59 -154.0(8) . . . . ?
N6 Ni2 O11 C59 32.6(5) . . . . ?
N5 Ni2 O11 C59 112.2(4) . . . . ?
N7 Ni2 O11 C59 -46.3(4) . . . . ?
Dy1 Ni2 O11 C59 -160.0(5) . . . . ?
O9 Ni2 O11 Dy1 8.52(15) . . . . ?
N8 Ni2 O11 Dy1 6.0(9) . . . . ?
N6 Ni2 O11 Dy1 -167.45(19) . . . . ?
N5 Ni2 O11 Dy1 -87.89(18) . . . . ?
N7 Ni2 O11 Dy1 113.64(19) . . . . ?
O8 Dy1 O11 C59 -114.5(5) . . . . ?
O9 Dy1 O11 C59 147.4(5) . . . . ?
O5 Dy1 O11 C59 82.9(5) . . . . ?
O3 Dy1 O11 C59 32.1(5) . . . . ?
O4 Dy1 O11 C59 -31.6(5) . . . . ?
O10 Dy1 O11 C59 178.1(5) . . . . ?
O2 Dy1 O11 C59 -59.4(6) . . . . ?
Ni2 Dy1 O11 C59 155.4(6) . . . . ?
O8 Dy1 O11 Ni2 90.11(17) . . . . ?
O9 Dy1 O11 Ni2 -8.03(14) . . . . ?
O5 Dy1 O11 Ni2 -72.5(2) . . . . ?
O3 Dy1 O11 Ni2 -123.34(17) . . . . ?
O4 Dy1 O11 Ni2 173.02(18) . . . . ?
O10 Dy1 O11 Ni2 22.7(2) . . . . ?
O2 Dy1 O11 Ni2 145.24(15) . . . . ?
O3 Ni1 N1 C8 21.5(4) . . . . ?
N3 Ni1 N1 C8 -69.2(4) . . . . ?
O5 Ni1 N1 C8 96.8(4) . . . . ?
N2 Ni1 N1 C8 -150.7(4) . . . . ?
N4 Ni1 N1 C8 157.9(4) . . . . ?
O3 Ni1 N1 C9 162.6(4) . . . . ?
N3 Ni1 N1 C9 71.8(4) . . . . ?
O5 Ni1 N1 C9 -122.2(4) . . . . ?
N2 Ni1 N1 C9 -9.6(4) . . . . ?
N4 Ni1 N1 C9 -61.1(6) . . . . ?
O3 Ni1 N2 C10 -88.9(12) . . . . ?
N3 Ni1 N2 C10 -118.9(4) . . . . ?
O5 Ni1 N2 C10 58.9(4) . . . . ?
N1 Ni1 N2 C10 -17.8(4) . . . . ?
N4 Ni1 N2 C10 139.8(4) . . . . ?
O3 Ni1 N2 C13 150.9(11) . . . . ?
N3 Ni1 N2 C13 120.9(4) . . . . ?
O5 Ni1 N2 C13 -61.3(4) . . . . ?
N1 Ni1 N2 C13 -138.0(4) . . . . ?
N4 Ni1 N2 C13 19.6(4) . . . . ?
O3 Ni1 N2 C11 29.6(14) . . . . ?
N3 Ni1 N2 C11 -0.4(4) . . . . ?
O5 Ni1 N2 C11 177.4(3) . . . . ?
N1 Ni1 N2 C11 100.8(4) . . . . ?
N4 Ni1 N2 C11 -101.7(4) . . . . ?
O3 Ni1 N3 C12 158.4(4) . . . . ?
O5 Ni1 N3 C12 163.0(6) . . . . ?
N1 Ni1 N3 C12 -105.5(4) . . . . ?
N2 Ni1 N3 C12 -25.7(4) . . . . ?
N4 Ni1 N3 C12 53.6(4) . . . . ?
O3 Ni1 N3 C15 31.4(4) . . . . ?
O5 Ni1 N3 C15 36.0(9) . . . . ?
N1 Ni1 N3 C15 127.5(4) . . . . ?
N2 Ni1 N3 C15 -152.7(4) . . . . ?
N4 Ni1 N3 C15 -73.4(4) . . . . ?
O3 Ni1 N4 C14 -168.0(4) . . . . ?
N3 Ni1 N4 C14 -75.7(4) . . . . ?
O5 Ni1 N4 C14 117.3(4) . . . . ?
N1 Ni1 N4 C14 57.2(6) . . . . ?
N2 Ni1 N4 C14 5.6(4) . . . . ?
O3 Ni1 N4 C23 69.7(4) . . . . ?
N3 Ni1 N4 C23 162.0(4) . . . . ?
O5 Ni1 N4 C23 -4.9(4) . . . . ?
N1 Ni1 N4 C23 -65.1(6) . . . . ?
N2 Ni1 N4 C23 -116.7(4) . . . . ?
O9 Ni2 N5 C39 166.7(4) . . . . ?
O11 Ni2 N5 C39 -116.2(4) . . . . ?
N8 Ni2 N5 C39 76.2(4) . . . . ?
N6 Ni2 N5 C39 -7.0(4) . . . . ?
N7 Ni2 N5 C39 -57.7(6) . . . . ?
Dy1 Ni2 N5 C39 -156.3(4) . . . . ?
O9 Ni2 N5 C38 27.5(4) . . . . ?
O11 Ni2 N5 C38 104.6(4) . . . . ?
N8 Ni2 N5 C38 -63.0(4) . . . . ?
N6 Ni2 N5 C38 -146.2(4) . . . . ?
N7 Ni2 N5 C38 163.2(4) . . . . ?
Dy1 Ni2 N5 C38 64.6(4) . . . . ?
O9 Ni2 N6 C40 -85.6(16) . . . . ?
O11 Ni2 N6 C40 59.4(4) . . . . ?
N8 Ni2 N6 C40 -119.2(4) . . . . ?
N5 Ni2 N6 C40 -19.3(4) . . . . ?
N7 Ni2 N6 C40 141.1(4) . . . . ?
Dy1 Ni2 N6 C40 45.1(6) . . . . ?
O9 Ni2 N6 C51 153.8(14) . . . . ?
O11 Ni2 N6 C51 -61.2(4) . . . . ?
N8 Ni2 N6 C51 120.2(4) . . . . ?
N5 Ni2 N6 C51 -139.8(4) . . . . ?
N7 Ni2 N6 C51 20.6(4) . . . . ?
Dy1 Ni2 N6 C51 -75.4(5) . . . . ?
O9 Ni2 N6 C41 32.8(18) . . . . ?
O11 Ni2 N6 C41 177.8(4) . . . . ?
N8 Ni2 N6 C41 -0.8(5) . . . . ?
N5 Ni2 N6 C41 99.1(5) . . . . ?
N7 Ni2 N6 C41 -100.5(5) . . . . ?
Dy1 Ni2 N6 C41 163.5(3) . . . . ?
O9 Ni2 N7 C52 -171.4(4) . . . . ?
O11 Ni2 N7 C52 112.4(4) . . . . ?
N8 Ni2 N7 C52 -79.5(4) . . . . ?
N6 Ni2 N7 C52 3.5(4) . . . . ?
N5 Ni2 N7 C52 54.5(6) . . . . ?
Dy1 Ni2 N7 C52 148.8(4) . . . . ?
O9 Ni2 N7 C53 64.6(4) . . . . ?
O11 Ni2 N7 C53 -11.7(4) . . . . ?
N8 Ni2 N7 C53 156.4(4) . . . . ?
N6 Ni2 N7 C53 -120.6(5) . . . . ?
N5 Ni2 N7 C53 -69.6(6) . . . . ?
Dy1 Ni2 N7 C53 24.8(4) . . . . ?
O9 Ni2 N8 C43 36.0(4) . . . . ?
O11 Ni2 N8 C43 38.5(11) . . . . ?
N6 Ni2 N8 C43 -147.8(4) . . . . ?
N5 Ni2 N8 C43 130.4(4) . . . . ?
N7 Ni2 N8 C43 -67.8(4) . . . . ?
Dy1 Ni2 N8 C43 43.3(5) . . . . ?
O9 Ni2 N8 C42 160.0(4) . . . . ?
O11 Ni2 N8 C42 162.5(8) . . . . ?
N6 Ni2 N8 C42 -23.8(5) . . . . ?
N5 Ni2 N8 C42 -105.5(4) . . . . ?
N7 Ni2 N8 C42 56.3(5) . . . . ?
Dy1 Ni2 N8 C42 167.4(4) . . . . ?
C1 O1 C2 C3 6.4(10) . . . . ?
C1 O1 C2 C7 -171.2(6) . . . . ?
O1 C2 C3 C4 -179.1(6) . . . . ?
C7 C2 C3 C4 -1.5(10) . . . . ?
C2 C3 C4 C5 1.7(11) . . . . ?
C3 C4 C5 C6 -0.5(10) . . . . ?
C4 C5 C6 C7 -0.8(9) . . . . ?
C4 C5 C6 C8 171.8(6) . . . . ?
Dy1 O2 C7 C6 -42.4(11) . . . . ?
Dy1 O2 C7 C2 135.6(7) . . . . ?
C5 C6 C7 O2 178.8(5) . . . . ?
C8 C6 C7 O2 6.2(9) . . . . ?
C5 C6 C7 C2 0.9(9) . . . . ?
C8 C6 C7 C2 -171.7(6) . . . . ?
O1 C2 C7 O2 0.1(9) . . . . ?
C3 C2 C7 O2 -177.6(6) . . . . ?
O1 C2 C7 C6 178.0(5) . . . . ?
C3 C2 C7 C6 0.3(10) . . . . ?
C9 N1 C8 C6 77.9(6) . . . . ?
Ni1 N1 C8 C6 -141.7(4) . . . . ?
C5 C6 C8 N1 -89.6(7) . . . . ?
C7 C6 C8 N1 82.9(7) . . . . ?
C8 N1 C9 C10 -179.6(5) . . . . ?
Ni1 N1 C9 C10 34.7(6) . . . . ?
C13 N2 C10 C9 160.9(5) . . . . ?
C11 N2 C10 C9 -73.5(6) . . . . ?
Ni1 N2 C10 C9 42.1(6) . . . . ?
N1 C9 C10 N2 -51.6(7) . . . . ?
C10 N2 C11 C12 142.7(5) . . . . ?
C13 N2 C11 C12 -92.7(6) . . . . ?
Ni1 N2 C11 C12 26.1(6) . . . . ?
C15 N3 C12 C11 172.0(5) . . . . ?
Ni1 N3 C12 C11 45.7(6) . . . . ?
N2 C11 C12 N3 -48.9(7) . . . . ?
C10 N2 C13 C14 -161.0(5) . . . . ?
C11 N2 C13 C14 74.5(6) . . . . ?
Ni1 N2 C13 C14 -42.8(6) . . . . ?
C23 N4 C14 C13 93.6(6) . . . . ?
Ni1 N4 C14 C13 -30.1(6) . . . . ?
N2 C13 C14 N4 49.9(7) . . . . ?
C12 N3 C15 C16 165.1(5) . . . . ?
Ni1 N3 C15 C16 -70.7(5) . . . . ?
N3 C15 C16 C17 -118.7(6) . . . . ?
N3 C15 C16 C21 56.9(7) . . . . ?
C21 C16 C17 C18 1.1(10) . . . . ?
C15 C16 C17 C18 176.7(6) . . . . ?
C16 C17 C18 C19 -1.4(11) . . . . ?
C17 C18 C19 C20 0.1(10) . . . . ?
C22 O4 C20 C21 -169.4(5) . . . . ?
Dy1 O4 C20 C21 10.6(6) . . . . ?
C22 O4 C20 C19 12.4(8) . . . . ?
Dy1 O4 C20 C19 -167.6(5) . . . . ?
C18 C19 C20 C21 1.5(9) . . . . ?
C18 C19 C20 O4 179.6(6) . . . . ?
Ni1 O3 C21 C20 136.7(4) . . . . ?
Dy1 O3 C21 C20 -12.2(7) . . . . ?
Ni1 O3 C21 C16 -43.6(7) . . . . ?
Dy1 O3 C21 C16 167.5(4) . . . . ?
O4 C20 C21 O3 -0.4(7) . . . . ?
C19 C20 C21 O3 178.0(5) . . . . ?
O4 C20 C21 C16 179.9(5) . . . . ?
C19 C20 C21 C16 -1.8(8) . . . . ?
C17 C16 C21 O3 -179.2(5) . . . . ?
C15 C16 C21 O3 5.1(9) . . . . ?
C17 C16 C21 C20 0.5(9) . . . . ?
C15 C16 C21 C20 -175.2(5) . . . . ?
C14 N4 C23 C24 -64.9(6) . . . . ?
Ni1 N4 C23 C24 55.9(6) . . . . ?
N4 C23 C24 C29 -61.9(7) . . . . ?
N4 C23 C24 C25 112.6(6) . . . . ?
C29 C24 C25 C26 0.4(10) . . . . ?
C23 C24 C25 C26 -174.0(6) . . . . ?
C24 C25 C26 C27 2.7(10) . . . . ?
C25 C26 C27 C28 -2.5(10) . . . . ?
C30 O6 C28 C27 -9.2(9) . . . . ?
C30 O6 C28 C29 170.3(5) . . . . ?
C26 C27 C28 O6 178.7(6) . . . . ?
C26 C27 C28 C29 -0.8(10) . . . . ?
Ni1 O5 C29 C24 69.0(6) . . . . ?
Dy1 O5 C29 C24 -88.6(6) . . . . ?
Ni1 O5 C29 C28 -108.9(5) . . . . ?
Dy1 O5 C29 C28 93.5(6) . . . . ?
C25 C24 C29 O5 178.5(5) . . . . ?
C23 C24 C29 O5 -6.8(8) . . . . ?
C25 C24 C29 C28 -3.6(9) . . . . ?
C23 C24 C29 C28 171.2(5) . . . . ?
O6 C28 C29 O5 2.2(8) . . . . ?
C27 C28 C29 O5 -178.2(5) . . . . ?
O6 C28 C29 C24 -175.7(5) . . . . ?
C27 C28 C29 C24 3.8(9) . . . . ?
C31 O7 C32 C33 2.9(9) . . . . ?
C31 O7 C32 C37 -176.7(6) . . . . ?
O7 C32 C33 C34 178.3(6) . . . . ?
C37 C32 C33 C34 -2.2(10) . . . . ?
C32 C33 C34 C35 -0.5(11) . . . . ?
C33 C34 C35 C36 0.9(11) . . . . ?
C34 C35 C36 C37 1.4(10) . . . . ?
C34 C35 C36 C38 -177.9(6) . . . . ?
Dy1 O8 C37 C36 -14(2) . . . . ?
Dy1 O8 C37 C32 167.4(16) . . . . ?
C35 C36 C37 O8 177.7(6) . . . . ?
C38 C36 C37 O8 -3.1(9) . . . . ?
C35 C36 C37 C32 -3.9(9) . . . . ?
C38 C36 C37 C32 175.4(6) . . . . ?
C33 C32 C37 O8 -177.1(6) . . . . ?
O7 C32 C37 O8 2.5(8) . . . . ?
C33 C32 C37 C36 4.4(9) . . . . ?
O7 C32 C37 C36 -176.0(5) . . . . ?
C35 C36 C38 N5 -106.3(7) . . . . ?
C37 C36 C38 N5 74.4(7) . . . . ?
C39 N5 C38 C36 86.5(7) . . . . ?
Ni2 N5 C38 C36 -135.7(5) . . . . ?
C38 N5 C39 C40 174.8(5) . . . . ?
Ni2 N5 C39 C40 31.1(6) . . . . ?
C51 N6 C40 C39 161.7(5) . . . . ?
C41 N6 C40 C39 -72.5(7) . . . . ?
Ni2 N6 C40 C39 43.1(6) . . . . ?
N5 C39 C40 N6 -50.9(7) . . . . ?
C40 N6 C41 C42 141.0(6) . . . . ?
C51 N6 C41 C42 -93.3(7) . . . . ?
Ni2 N6 C41 C42 25.8(7) . . . . ?
C43 N8 C42 C41 167.6(6) . . . . ?
Ni2 N8 C42 C41 44.2(7) . . . . ?
N6 C41 C42 N8 -48.0(8) . . . . ?
C42 N8 C43 C44 168.1(5) . . . . ?
Ni2 N8 C43 C44 -71.4(5) . . . . ?
N8 C43 C44 C49 53.3(8) . . . . ?
N8 C43 C44 C45 -125.3(6) . . . . ?
C49 C44 C45 C46 0.0(10) . . . . ?
C43 C44 C45 C46 178.6(6) . . . . ?
C44 C45 C46 C47 -2.8(10) . . . . ?
C45 C46 C47 C48 1.4(10) . . . . ?
C50 O10 C48 C47 25.3(8) . . . . ?
Dy1 O10 C48 C47 -165.1(5) . . . . ?
C50 O10 C48 C49 -156.8(5) . . . . ?
Dy1 O10 C48 C49 12.8(6) . . . . ?
C46 C47 C48 O10 -179.4(6) . . . . ?
C46 C47 C48 C49 2.9(9) . . . . ?
Ni2 O9 C49 C48 142.5(4) . . . . ?
Dy1 O9 C49 C48 -9.4(7) . . . . ?
Ni2 O9 C49 C44 -37.9(7) . . . . ?
Dy1 O9 C49 C44 170.2(4) . . . . ?
O10 C48 C49 O9 -3.8(8) . . . . ?
C47 C48 C49 O9 174.0(5) . . . . ?
O10 C48 C49 C44 176.5(5) . . . . ?
C47 C48 C49 C44 -5.6(9) . . . . ?
C45 C44 C49 O9 -175.6(5) . . . . ?
C43 C44 C49 O9 5.9(9) . . . . ?
C45 C44 C49 C48 4.1(9) . . . . ?
C43 C44 C49 C48 -174.5(6) . . . . ?
C40 N6 C51 C52 -159.2(5) . . . . ?
C41 N6 C51 C52 75.5(7) . . . . ?
Ni2 N6 C51 C52 -42.2(6) . . . . ?
C53 N7 C52 C51 98.9(7) . . . . ?
Ni2 N7 C52 C51 -26.9(7) . . . . ?
N6 C51 C52 N7 46.8(8) . . . . ?
C52 N7 C53 C54 -62.4(7) . . . . ?
Ni2 N7 C53 C54 61.0(6) . . . . ?
N7 C53 C54 C59 -60.5(7) . . . . ?
N7 C53 C54 C55 116.9(7) . . . . ?
C59 C54 C55 C56 2.4(10) . . . . ?
C53 C54 C55 C56 -175.0(7) . . . . ?
C54 C55 C56 C57 4.3(12) . . . . ?
C55 C56 C57 C58 -5.1(13) . . . . ?
C60 O12 C58 C57 -12.1(11) . . . . ?
C60 O12 C58 C59 167.4(6) . . . . ?
C56 C57 C58 O12 178.9(8) . . . . ?
C56 C57 C58 C59 -0.6(11) . . . . ?
Ni2 O11 C59 C54 64.9(6) . . . . ?
Dy1 O11 C59 C54 -88.4(7) . . . . ?
Ni2 O11 C59 C58 -111.4(5) . . . . ?
Dy1 O11 C59 C58 95.3(7) . . . . ?
C55 C54 C59 O11 175.8(6) . . . . ?
C53 C54 C59 O11 -6.6(9) . . . . ?
C55 C54 C59 C58 -7.9(9) . . . . ?
C53 C54 C59 C58 169.7(6) . . . . ?
O12 C58 C59 O11 3.8(9) . . . . ?
C57 C58 C59 O11 -176.6(6) . . . . ?
O12 C58 C59 C54 -172.5(6) . . . . ?
C57 C58 C59 C54 7.0(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.083
_refine_diff_density_min         -1.197
_refine_diff_density_rms         0.111
