# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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. 
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data_aaaa_sq
_database_code_depnum_ccdc_archive 'CCDC 1991481'
_audit_update_record             
;
2020-03-19 deposited with the CCDC.	2020-06-30 downloaded from the CCDC.
;
_audit_creation_date             2020-03-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C88 H60 Cl6 Co11 N48 O4'
_chemical_formula_sum            'C88 H60 Cl6 Co11 N48 O4'
_chemical_formula_weight         2714.77
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

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

_cell_length_a                   14.817(2)
_cell_length_b                   17.216(2)
_cell_length_c                   32.637(5)
_cell_angle_alpha                85.312(2)
_cell_angle_beta                 83.893(2)
_cell_angle_gamma                72.737(2)
_cell_volume                     7894.7(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9871
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.317
_cell_measurement_theta_min      2.233
_shelx_estimated_absorpt_T_max   0.939
_shelx_estimated_absorpt_T_min   0.785
_exptl_absorpt_coefficient_mu    1.274
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.142
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2710
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0662
_diffrn_reflns_av_unetI/netI     0.0833
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            78920
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.493
_diffrn_reflns_theta_min         0.628
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20158
_reflns_number_total             29084
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.873
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1418
_refine_ls_number_reflns         29084
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0884
_refine_ls_R_factor_gt           0.0622
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1047P)²+4.6235P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1750
_refine_ls_wR_factor_ref         0.1916
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 O2, C86, O3, C87, O4, C88
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C25(H25), C26(H26), C27(H27), C28(H28),
  C29(H29), C30(H30), C31(H31), C32(H32), C39(H39), C40(H40), C41(H41),
 C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C53(H53), C54(H54), C55(H55),
  C56(H56), C57(H57), C58(H58), C59(H59), C60(H60), C67(H67), C68(H68),
 C69(H69), C70(H70), C71(H71), C72(H72), C73(H73), C74(H74), C81(H81), C82(H82),
  C83(H83), C84(H84)
3.b Idealised Me refined as rotating group:
 C85(H85A,H85B,H85C), C86(H86A,H86B,H86C), C87(H87A,H87B,H87C), C88(H88A,H88B,
 H88C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.62087(4) 0.40757(4) 0.69343(2) 0.02441(15) Uani 1 1 d . . . . .
Co2 Co 0.49491(4) 0.31475(4) 0.75042(2) 0.02458(15) Uani 1 1 d . . . . .
Co3 Co 0.71232(4) 0.22465(4) 0.72842(2) 0.02569(15) Uani 1 1 d . . . . .
Co4 Co 0.65345(4) 0.37229(4) 0.78802(2) 0.02436(15) Uani 1 1 d . . . . .
Co5 Co 0.62621(5) 0.55509(4) 0.59761(2) 0.03379(17) Uani 1 1 d . . . . .
Co6 Co 0.21371(5) 0.61013(5) 0.67153(3) 0.0499(2) Uani 1 1 d . . . . .
Co7 Co 0.24391(4) 0.28534(4) 0.76967(2) 0.02866(16) Uani 1 1 d . . . . .
Co8 Co 0.38520(6) 0.30715(5) 0.93625(2) 0.0441(2) Uani 1 1 d . . . . .
Co9 Co 0.69964(5) 0.46911(4) 0.88440(2) 0.03167(17) Uani 1 1 d . . . . .
Co10 Co 0.89827(5) 0.01501(4) 0.70943(2) 0.03548(18) Uani 1 1 d . . . . .
Co11 Co 0.84599(7) 0.21342(6) 0.54439(3) 0.0583(3) Uani 1 1 d . . . . .
Cl1 Cl 0.4492(3) 0.19143(18) 0.97023(8) 0.1293(11) Uani 1 1 d . . . . .
Cl2 Cl 0.25710(12) 0.38827(14) 0.96960(6) 0.0735(6) Uani 1 1 d . . . . .
Cl3 Cl 0.1819(2) 0.70494(15) 0.71598(11) 0.1331(11) Uani 1 1 d . . . . .
Cl4 Cl 0.10919(17) 0.63810(19) 0.62510(9) 0.1214(10) Uani 1 1 d . . . . .
Cl5 Cl 0.7671(2) 0.1466(2) 0.51418(9) 0.1263(10) Uani 1 1 d . . . . .
Cl6 Cl 0.9747(2) 0.22540(17) 0.50739(8) 0.1190(10) Uani 1 1 d . . . . .
O1 O 0.7301(2) 0.34082(18) 0.72972(9) 0.0257(7) Uani 1 1 d . . . . .
O2 O 0.6191(2) 0.2631(2) 0.78035(10) 0.0301(7) Uani 1 1 d . U . . .
O3 O 0.5408(2) 0.4201(2) 0.75142(9) 0.0277(7) Uani 1 1 d . U . . .
O4 O 0.5907(2) 0.29667(19) 0.69774(10) 0.0276(7) Uani 1 1 d . U . . .
N1 N 0.6390(4) 0.5185(3) 0.53274(14) 0.0515(13) Uani 1 1 d . . . . .
N2 N 0.7655(3) 0.3152(3) 0.57288(13) 0.0421(11) Uani 1 1 d . . . . .
N3 N 0.6812(3) 0.4302(3) 0.60071(12) 0.0364(10) Uani 1 1 d . . . . .
N4 N 0.7067(3) 0.3742(2) 0.63295(12) 0.0306(9) Uani 1 1 d . . . . .
N5 N 0.8600(3) 0.1724(3) 0.60454(14) 0.0429(11) Uani 1 1 d . . . . .
N6 N 0.8081(3) 0.1944(2) 0.67084(13) 0.0319(10) Uani 1 1 d . . . . .
N7 N 0.8659(3) 0.1157(2) 0.66753(13) 0.0350(10) Uani 1 1 d . . . . .
N8 N 0.9546(4) -0.0357(3) 0.64539(17) 0.0511(13) Uani 1 1 d . . . . .
N9 N 1.0470(3) -0.0266(3) 0.72793(18) 0.0500(13) Uani 1 1 d . . . . .
N10 N 0.9667(3) 0.1335(3) 0.80148(15) 0.0437(12) Uani 1 1 d . . . . .
N11 N 0.8963(3) 0.0961(2) 0.75306(13) 0.0343(10) Uani 1 1 d . . . . .
N12 N 0.8356(3) 0.1676(2) 0.76636(13) 0.0305(9) Uani 1 1 d . . . . .
N13 N 0.9166(3) 0.2667(3) 0.84657(14) 0.0408(11) Uani 1 1 d . . . . .
N14 N 0.7699(3) 0.3168(2) 0.82501(13) 0.0306(9) Uani 1 1 d . . . . .
N15 N 0.7817(3) 0.3657(3) 0.85448(13) 0.0336(10) Uani 1 1 d . . . . .
N16 N 0.8438(3) 0.4506(3) 0.90344(14) 0.0438(12) Uani 1 1 d . . . . .
N17 N 0.6669(3) 0.6012(3) 0.89265(14) 0.0426(11) Uani 1 1 d . . . . .
N18 N 0.6909(4) 0.6210(3) 0.78030(14) 0.0457(12) Uani 1 1 d . . . . .
N19 N 0.6778(3) 0.5206(3) 0.82576(12) 0.0325(10) Uani 1 1 d . . . . .
N20 N 0.6839(3) 0.4911(3) 0.78772(12) 0.0307(9) Uani 1 1 d . . . . .
N21 N 0.7529(3) 0.6035(3) 0.69555(13) 0.0392(11) Uani 1 1 d . . . . .
N22 N 0.6595(3) 0.5206(2) 0.69199(12) 0.0303(9) Uani 1 1 d . . . . .
N23 N 0.6808(3) 0.5496(3) 0.65301(12) 0.0341(10) Uani 1 1 d . . . . .
N24 N 0.7364(3) 0.6193(3) 0.58405(14) 0.0422(11) Uani 1 1 d . . . . .
N25 N 0.8760(3) -0.1045(3) 0.72907(16) 0.0463(12) Uani 1 1 d . . . . .
N26 N 0.6231(3) 0.0014(3) 0.72777(17) 0.0476(13) Uani 1 1 d . . . . .
N27 N 0.7528(3) 0.0417(2) 0.72242(14) 0.0360(10) Uani 1 1 d . . . . .
N28 N 0.6776(3) 0.1111(2) 0.72298(13) 0.0320(10) Uani 1 1 d . . . . .
N29 N 0.4400(3) 0.0957(3) 0.71195(16) 0.0437(12) Uani 1 1 d . . . . .
N30 N 0.4591(3) 0.2010(2) 0.74338(13) 0.0284(9) Uani 1 1 d . . . . .
N31 N 0.3648(3) 0.2120(2) 0.74076(13) 0.0327(10) Uani 1 1 d . . . . .
N32 N 0.1904(3) 0.2125(3) 0.73007(14) 0.0382(10) Uani 1 1 d . . . . .
N33 N 0.1965(3) 0.2275(2) 0.82809(14) 0.0344(10) Uani 1 1 d . . . . .
N34 N 0.3668(3) 0.2983(3) 0.87609(12) 0.0350(10) Uani 1 1 d . . . . .
N35 N 0.3304(3) 0.2996(3) 0.81197(13) 0.0332(10) Uani 1 1 d . . . . .
N36 N 0.4045(3) 0.3324(3) 0.80966(12) 0.0305(9) Uani 1 1 d . . . . .
N37 N 0.4813(3) 0.3634(3) 0.90872(12) 0.0342(10) Uani 1 1 d . . . . .
N38 N 0.5546(3) 0.3971(3) 0.84858(12) 0.0295(9) Uani 1 1 d . . . . .
N39 N 0.5908(3) 0.4202(3) 0.88159(12) 0.0313(9) Uani 1 1 d . . . . .
N40 N 0.6534(3) 0.4401(3) 0.95169(13) 0.0392(11) Uani 1 1 d . . . . .
N41 N 0.1098(3) 0.3869(3) 0.76728(14) 0.0344(10) Uani 1 1 d . . . . .
N42 N 0.2473(3) 0.4969(2) 0.69975(13) 0.0338(10) Uani 1 1 d . . . . .
N43 N 0.2811(3) 0.3784(2) 0.73593(13) 0.0309(9) Uani 1 1 d . . . . .
N44 N 0.3669(3) 0.3884(2) 0.71887(12) 0.0282(9) Uani 1 1 d . . . . .
N45 N 0.3549(3) 0.5723(3) 0.65148(14) 0.0374(10) Uani 1 1 d . . . . .
N46 N 0.4947(3) 0.4765(2) 0.65963(13) 0.0325(10) Uani 1 1 d . . . . .
N47 N 0.5070(3) 0.5370(2) 0.63162(13) 0.0337(10) Uani 1 1 d . . . . .
N48 N 0.5104(3) 0.6675(3) 0.58566(14) 0.0440(11) Uani 1 1 d . . . . .
C1 C 0.6074(6) 0.5649(5) 0.4989(2) 0.077(2) Uani 1 1 d . . . . .
H1 H 0.569102 0.617965 0.502257 0.092 Uiso 1 1 calc R . . . .
C2 C 0.6296(8) 0.5369(6) 0.4590(2) 0.100(3) Uani 1 1 d . . . . .
H2 H 0.604976 0.569698 0.436365 0.120 Uiso 1 1 calc R . . . .
C3 C 0.6887(8) 0.4597(6) 0.4544(2) 0.097(3) Uani 1 1 d . . . . .
H3 H 0.708857 0.440516 0.428145 0.117 Uiso 1 1 calc R . . . .
C4 C 0.7182(6) 0.4108(5) 0.48872(19) 0.076(2) Uani 1 1 d . . . . .
H4 H 0.754922 0.357070 0.485681 0.091 Uiso 1 1 calc R . . . .
C5 C 0.6941(5) 0.4402(4) 0.52745(17) 0.0490(15) Uani 1 1 d . . . . .
C6 C 0.7160(4) 0.3943(4) 0.56587(15) 0.0407(13) Uani 1 1 d . . . . .
C7 C 0.7579(4) 0.3052(3) 0.61481(15) 0.0363(12) Uani 1 1 d . . . . .
C8 C 0.8059(4) 0.2252(3) 0.63251(16) 0.0335(12) Uani 1 1 d . . . . .
C9 C 0.8940(4) 0.1045(3) 0.62795(18) 0.0445(14) Uani 1 1 d . . . . .
C10 C 0.9485(5) 0.0227(4) 0.6156(2) 0.0538(16) Uani 1 1 d . . . . .
C11 C 0.9890(6) 0.0086(5) 0.5761(2) 0.083(3) Uani 1 1 d . . . . .
H11 H 0.987720 0.051551 0.556652 0.100 Uiso 1 1 calc R . . . .
C12 C 1.0324(7) -0.0720(5) 0.5658(3) 0.100(3) Uani 1 1 d . . . . .
H12 H 1.057988 -0.084675 0.539085 0.120 Uiso 1 1 calc R . . . .
C13 C 1.0359(6) -0.1315(5) 0.5966(3) 0.083(2) Uani 1 1 d . . . . .
H13 H 1.064314 -0.185890 0.590936 0.099 Uiso 1 1 calc R . . . .
C14 C 0.9980(4) -0.1112(4) 0.6350(2) 0.0628(19) Uani 1 1 d . . . . .
H14 H 1.002642 -0.152804 0.655486 0.075 Uiso 1 1 calc R . . . .
C15 C 1.1229(4) -0.0849(4) 0.7133(3) 0.066(2) Uani 1 1 d . . . . .
H15 H 1.117996 -0.110629 0.690005 0.080 Uiso 1 1 calc R . . . .
C16 C 1.2091(5) -0.1091(5) 0.7313(4) 0.108(4) Uani 1 1 d . . . . .
H16 H 1.260221 -0.150880 0.721108 0.130 Uiso 1 1 calc R . . . .
C17 C 1.2140(5) -0.0686(5) 0.7641(4) 0.111(4) Uani 1 1 d . . . . .
H17 H 1.271481 -0.080926 0.775782 0.133 Uiso 1 1 calc R . . . .
C18 C 1.1384(5) -0.0104(4) 0.7809(3) 0.084(3) Uani 1 1 d . . . . .
H18 H 1.143096 0.014361 0.804547 0.101 Uiso 1 1 calc R . . . .
C19 C 1.0550(4) 0.0111(3) 0.7621(2) 0.0536(17) Uani 1 1 d . . . . .
C20 C 0.9727(4) 0.0794(3) 0.77352(18) 0.0390(13) Uani 1 1 d . . . . .
C21 C 0.8813(3) 0.1875(3) 0.79600(16) 0.0301(11) Uani 1 1 d . . . . .
C22 C 0.8526(3) 0.2576(3) 0.82161(16) 0.0325(11) Uani 1 1 d . . . . .
C23 C 0.8691(3) 0.3342(3) 0.86493(16) 0.0349(12) Uani 1 1 d . . . . .
C24 C 0.9046(4) 0.3791(4) 0.89294(18) 0.0446(14) Uani 1 1 d . . . . .
C25 C 0.9963(5) 0.3512(6) 0.9043(2) 0.086(3) Uani 1 1 d . . . . .
H25 H 1.036268 0.301156 0.896193 0.103 Uiso 1 1 calc R . . . .
C26 C 1.0276(5) 0.3997(6) 0.9281(3) 0.100(3) Uani 1 1 d . . . . .
H26 H 1.088856 0.382961 0.936441 0.120 Uiso 1 1 calc R . . . .
C27 C 0.9655(6) 0.4729(6) 0.9390(3) 0.093(3) Uani 1 1 d . . . . .
H27 H 0.984306 0.506635 0.955044 0.111 Uiso 1 1 calc R . . . .
C28 C 0.8762(5) 0.4964(5) 0.9264(2) 0.0624(19) Uani 1 1 d . . . . .
H28 H 0.835573 0.546590 0.933941 0.075 Uiso 1 1 calc R . . . .
C29 C 0.6526(5) 0.6420(4) 0.92690(19) 0.0575(17) Uani 1 1 d . . . . .
H29 H 0.646676 0.613919 0.952129 0.069 Uiso 1 1 calc R . . . .
C30 C 0.6462(7) 0.7233(5) 0.9270(3) 0.094(3) Uani 1 1 d . . . . .
H30 H 0.638107 0.748815 0.951765 0.113 Uiso 1 1 calc R . . . .
C31 C 0.6519(10) 0.7660(6) 0.8902(3) 0.135(5) Uani 1 1 d . . . . .
H31 H 0.645986 0.821404 0.889408 0.162 Uiso 1 1 calc R . . . .
C32 C 0.6670(8) 0.7248(4) 0.8536(2) 0.099(3) Uani 1 1 d . . . . .
H32 H 0.672818 0.752079 0.828127 0.118 Uiso 1 1 calc R . . . .
C33 C 0.6728(5) 0.6442(4) 0.85615(18) 0.0531(16) Uani 1 1 d . . . . .
C34 C 0.6825(4) 0.5956(3) 0.81982(17) 0.0422(14) Uani 1 1 d . . . . .
C35 C 0.6923(4) 0.5534(3) 0.76145(15) 0.0304(11) Uani 1 1 d . . . . .
C36 C 0.7019(3) 0.5550(3) 0.71635(15) 0.0306(11) Uani 1 1 d . . . . .
C37 C 0.7364(4) 0.5964(3) 0.65679(16) 0.0362(12) Uani 1 1 d . . . . .
C38 C 0.7728(4) 0.6325(4) 0.61839(18) 0.0476(15) Uani 1 1 d . . . . .
C39 C 0.8423(5) 0.6723(4) 0.6172(2) 0.0616(19) Uani 1 1 d . . . . .
H39 H 0.864028 0.681719 0.641460 0.074 Uiso 1 1 calc R . . . .
C40 C 0.8783(6) 0.6975(6) 0.5796(2) 0.083(3) Uani 1 1 d . . . . .
H40 H 0.925782 0.723217 0.577666 0.100 Uiso 1 1 calc R . . . .
C41 C 0.8414(6) 0.6832(5) 0.5450(2) 0.080(2) Uani 1 1 d . . . . .
H41 H 0.865102 0.699367 0.519249 0.096 Uiso 1 1 calc R . . . .
C42 C 0.7710(5) 0.6461(4) 0.54723(19) 0.0557(17) Uani 1 1 d . . . . .
H42 H 0.746631 0.639091 0.523138 0.067 Uiso 1 1 calc R . . . .
C43 C 0.9389(4) -0.1773(3) 0.7348(2) 0.0580(18) Uani 1 1 d . . . . .
H43 H 1.002595 -0.180023 0.734398 0.070 Uiso 1 1 calc R . . . .
C44 C 0.9141(5) -0.2479(4) 0.7413(3) 0.078(2) Uani 1 1 d . . . . .
H44 H 0.959874 -0.297210 0.746133 0.094 Uiso 1 1 calc R . . . .
C45 C 0.8207(6) -0.2451(4) 0.7404(3) 0.088(3) Uani 1 1 d . . . . .
H45 H 0.803064 -0.292905 0.743383 0.106 Uiso 1 1 calc R . . . .
C46 C 0.7551(5) -0.1730(4) 0.7354(3) 0.069(2) Uani 1 1 d . . . . .
H46 H 0.691345 -0.170083 0.735746 0.082 Uiso 1 1 calc R . . . .
C47 C 0.7839(4) -0.1020(3) 0.7296(2) 0.0470(15) Uani 1 1 d . . . . .
C48 C 0.7179(4) -0.0200(3) 0.72611(19) 0.0430(14) Uani 1 1 d . . . . .
C49 C 0.6014(4) 0.0824(3) 0.72536(18) 0.0381(13) Uani 1 1 d . . . . .
C50 C 0.5019(3) 0.1285(3) 0.72593(17) 0.0366(12) Uani 1 1 d . . . . .
C51 C 0.3562(3) 0.1506(3) 0.72141(17) 0.0342(12) Uani 1 1 d . . . . .
C52 C 0.2612(4) 0.1510(3) 0.71315(17) 0.0385(12) Uani 1 1 d . . . . .
C53 C 0.2436(4) 0.0975(4) 0.6875(2) 0.0600(18) Uani 1 1 d . . . . .
H53 H 0.292537 0.054790 0.676593 0.072 Uiso 1 1 calc R . . . .
C54 C 0.1500(5) 0.1098(4) 0.6787(2) 0.0607(18) Uani 1 1 d . . . . .
H54 H 0.136129 0.075548 0.661315 0.073 Uiso 1 1 calc R . . . .
C55 C 0.0793(4) 0.1715(4) 0.6956(2) 0.0564(17) Uani 1 1 d . . . . .
H55 H 0.016932 0.180001 0.689739 0.068 Uiso 1 1 calc R . . . .
C56 C 0.1014(4) 0.2212(4) 0.72136(19) 0.0464(14) Uani 1 1 d . . . . .
H56 H 0.052477 0.262714 0.733271 0.056 Uiso 1 1 calc R . . . .
C57 C 0.1371(3) 0.1823(3) 0.83306(19) 0.0419(13) Uani 1 1 d . . . . .
H57 H 0.104817 0.178401 0.810762 0.050 Uiso 1 1 calc R . . . .
C58 C 0.1212(4) 0.1407(4) 0.8700(2) 0.0578(17) Uani 1 1 d . . . . .
H58 H 0.079228 0.109385 0.872048 0.069 Uiso 1 1 calc R . . . .
C59 C 0.1679(5) 0.1458(5) 0.9037(2) 0.068(2) Uani 1 1 d . . . . .
H59 H 0.158469 0.118244 0.928726 0.081 Uiso 1 1 calc R . . . .
C60 C 0.2300(4) 0.1941(4) 0.89864(19) 0.0519(16) Uani 1 1 d . . . . .
H60 H 0.262757 0.199588 0.920505 0.062 Uiso 1 1 calc R . . . .
C61 C 0.2418(3) 0.2334(3) 0.86088(16) 0.0334(12) Uani 1 1 d . . . . .
C62 C 0.3110(3) 0.2796(3) 0.85129(15) 0.0324(11) Uani 1 1 d . . . . .
C63 C 0.4244(3) 0.3305(3) 0.84886(15) 0.0304(11) Uani 1 1 d . . . . .
C64 C 0.4896(3) 0.3634(3) 0.86648(15) 0.0309(11) Uani 1 1 d . . . . .
C65 C 0.5467(4) 0.3987(3) 0.91574(16) 0.0347(12) Uani 1 1 d . . . . .
C66 C 0.5799(4) 0.4087(4) 0.95538(16) 0.0398(13) Uani 1 1 d . . . . .
C67 C 0.5400(5) 0.3854(4) 0.99272(18) 0.0594(18) Uani 1 1 d . . . . .
H67 H 0.489132 0.363742 0.994030 0.071 Uiso 1 1 calc R . . . .
C68 C 0.5783(6) 0.3954(6) 1.0283(2) 0.077(2) Uani 1 1 d . . . . .
H68 H 0.554455 0.379513 1.054135 0.093 Uiso 1 1 calc R . . . .
C69 C 0.6515(6) 0.4288(5) 1.02468(19) 0.070(2) Uani 1 1 d . . . . .
H69 H 0.677400 0.437024 1.048114 0.084 Uiso 1 1 calc R . . . .
C70 C 0.6869(5) 0.4505(4) 0.98615(19) 0.0549(17) Uani 1 1 d . . . . .
H70 H 0.736682 0.473582 0.984265 0.066 Uiso 1 1 calc R . . . .
C71 C 0.5153(5) 0.7362(4) 0.5631(2) 0.065(2) Uani 1 1 d . . . . .
H71 H 0.574220 0.738766 0.551089 0.078 Uiso 1 1 calc R . . . .
C72 C 0.4384(6) 0.8016(5) 0.5573(3) 0.087(3) Uani 1 1 d . . . . .
H72 H 0.444825 0.847598 0.541618 0.104 Uiso 1 1 calc R . . . .
C73 C 0.3512(6) 0.7985(5) 0.5748(3) 0.096(3) Uani 1 1 d . . . . .
H73 H 0.297692 0.842331 0.570822 0.115 Uiso 1 1 calc R . . . .
C74 C 0.3429(5) 0.7314(4) 0.5982(2) 0.069(2) Uani 1 1 d . . . . .
H74 H 0.284643 0.729040 0.611102 0.082 Uiso 1 1 calc R . . . .
C75 C 0.4242(4) 0.6664(3) 0.60212(18) 0.0433(14) Uani 1 1 d . . . . .
C76 C 0.4259(4) 0.5928(3) 0.62793(16) 0.0361(12) Uani 1 1 d . . . . .
C77 C 0.4013(3) 0.5002(3) 0.67046(15) 0.0314(11) Uani 1 1 d . . . . .
C78 C 0.3426(3) 0.4588(3) 0.69723(15) 0.0301(11) Uani 1 1 d . . . . .
C79 C 0.2141(3) 0.4430(3) 0.72467(16) 0.0332(11) Uani 1 1 d . . . . .
C80 C 0.1161(3) 0.4498(3) 0.74115(16) 0.0313(11) Uani 1 1 d . . . . .
C81 C 0.0375(4) 0.5145(4) 0.7322(2) 0.0506(15) Uani 1 1 d . . . . .
H81 H 0.043736 0.557129 0.713786 0.061 Uiso 1 1 calc R . . . .
C82 C -0.0502(4) 0.5141(4) 0.7513(2) 0.0548(17) Uani 1 1 d . . . . .
H82 H -0.104366 0.555340 0.744952 0.066 Uiso 1 1 calc R . . . .
C83 C -0.0567(4) 0.4517(4) 0.7799(2) 0.0522(16) Uani 1 1 d . . . . .
H83 H -0.114534 0.452557 0.794403 0.063 Uiso 1 1 calc R . . . .
C84 C 0.0244(3) 0.3873(3) 0.78677(17) 0.0376(12) Uani 1 1 d . . . . .
H84 H 0.019647 0.344072 0.805042 0.045 Uiso 1 1 calc R . . . .
C85 C 0.8218(4) 0.3514(4) 0.71963(19) 0.0463(14) Uani 1 1 d . . . . .
H85A H 0.837193 0.349329 0.690343 0.069 Uiso 1 1 calc GR . . . .
H85B H 0.867969 0.308839 0.733415 0.069 Uiso 1 1 calc GR . . . .
H85C H 0.822067 0.403288 0.728350 0.069 Uiso 1 1 calc GR . . . .
C86 C 0.6218(6) 0.1991(5) 0.8133(2) 0.070(2) Uani 1 1 d . U . . .
H86A H 0.605157 0.223381 0.839533 0.105 Uiso 1 1 calc GR . . . .
H86B H 0.684542 0.161773 0.812887 0.105 Uiso 1 1 calc GR . . . .
H86C H 0.577453 0.170320 0.808958 0.105 Uiso 1 1 calc GR . . . .
C87 C 0.4750(5) 0.4988(4) 0.7643(2) 0.071(2) Uani 1 1 d . U . . .
H87A H 0.489531 0.542367 0.747288 0.106 Uiso 1 1 calc GR . . . .
H87B H 0.481753 0.505652 0.792638 0.106 Uiso 1 1 calc GR . . . .
H87C H 0.410966 0.499393 0.761483 0.106 Uiso 1 1 calc GR . . . .
C88 C 0.5596(6) 0.2715(5) 0.6609(2) 0.080(2) Uani 1 1 d . U . . .
H88A H 0.554876 0.313555 0.639390 0.121 Uiso 1 1 calc GR . . . .
H88B H 0.498822 0.262312 0.667646 0.121 Uiso 1 1 calc GR . . . .
H88C H 0.604922 0.222145 0.651795 0.121 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O1 2.104(3) . ?
Co1 O3 2.115(3) . ?
Co1 O4 2.077(3) . ?
Co1 N4 2.250(4) . ?
Co1 N22 2.180(4) . ?
Co1 N46 2.242(4) . ?
Co2 O2 2.098(3) . ?
Co2 O3 2.121(3) . ?
Co2 O4 2.092(3) . ?
Co2 N30 2.210(4) . ?
Co2 N36 2.220(4) . ?
Co2 N44 2.245(4) . ?
Co3 O1 2.098(3) . ?
Co3 O2 2.089(3) . ?
Co3 O4 2.154(3) . ?
Co3 N6 2.229(4) . ?
Co3 N12 2.247(4) . ?
Co3 N28 2.189(4) . ?
Co4 O1 2.133(3) . ?
Co4 O2 2.127(3) . ?
Co4 O3 2.083(3) . ?
Co4 N14 2.150(4) . ?
Co4 N20 2.221(4) . ?
Co4 N38 2.320(4) . ?
Co5 N1 2.231(5) . ?
Co5 N3 2.058(4) . ?
Co5 N23 2.042(4) . ?
Co5 N24 2.219(5) . ?
Co5 N47 2.074(4) . ?
Co5 N48 2.211(5) . ?
Co6 Cl3 2.186(3) . ?
Co6 Cl4 2.206(2) . ?
Co6 N42 2.030(4) . ?
Co6 N45 2.049(4) . ?
Co7 N31 2.046(4) . ?
Co7 N32 2.223(4) . ?
Co7 N33 2.223(4) . ?
Co7 N35 2.056(4) . ?
Co7 N41 2.227(4) . ?
Co7 N43 2.047(4) . ?
Co8 Cl1 2.200(3) . ?
Co8 Cl2 2.2302(19) . ?
Co8 N34 2.035(4) . ?
Co8 N37 2.044(4) . ?
Co9 N15 2.085(4) . ?
Co9 N16 2.213(4) . ?
Co9 N17 2.212(5) . ?
Co9 N19 2.058(4) . ?
Co9 N39 2.041(4) . ?
Co9 N40 2.291(4) . ?
Co10 N7 2.089(4) . ?
Co10 N8 2.307(5) . ?
Co10 N9 2.238(5) . ?
Co10 N11 2.067(4) . ?
Co10 N25 2.213(5) . ?
Co10 N27 2.070(4) . ?
Co11 Cl5 2.211(3) . ?
Co11 Cl6 2.201(2) . ?
Co11 N2 2.036(4) . ?
Co11 N5 2.042(5) . ?
O1 C85 1.425(6) . ?
O2 C86 1.471(7) . ?
O3 C87 1.479(7) . ?
O4 C88 1.471(7) . ?
N1 C1 1.349(8) . ?
N1 C5 1.367(8) . ?
N2 C6 1.356(7) . ?
N2 C7 1.362(7) . ?
N3 N4 1.372(6) . ?
N3 C6 1.320(6) . ?
N4 C7 1.349(6) . ?
N5 C8 1.361(6) . ?
N5 C9 1.337(7) . ?
N6 N7 1.377(5) . ?
N6 C8 1.318(6) . ?
N7 C9 1.326(7) . ?
N8 C10 1.331(8) . ?
N8 C14 1.322(7) . ?
N9 C15 1.340(7) . ?
N9 C19 1.369(8) . ?
N10 C20 1.335(7) . ?
N10 C21 1.350(6) . ?
N11 N12 1.364(5) . ?
N11 C20 1.322(7) . ?
N12 C21 1.358(6) . ?
N13 C22 1.364(6) . ?
N13 C23 1.321(7) . ?
N14 N15 1.387(5) . ?
N14 C22 1.342(6) . ?
N15 C23 1.317(6) . ?
N16 C24 1.337(7) . ?
N16 C28 1.345(7) . ?
N17 C29 1.334(7) . ?
N17 C33 1.359(7) . ?
N18 C34 1.333(7) . ?
N18 C35 1.355(6) . ?
N19 N20 1.363(5) . ?
N19 C34 1.311(7) . ?
N20 C35 1.344(6) . ?
N21 C36 1.379(6) . ?
N21 C37 1.336(7) . ?
N22 N23 1.368(5) . ?
N22 C36 1.335(6) . ?
N23 C37 1.332(7) . ?
N24 C38 1.357(7) . ?
N24 C42 1.356(7) . ?
N25 C43 1.333(7) . ?
N25 C47 1.351(7) . ?
N26 C48 1.338(7) . ?
N26 C49 1.333(7) . ?
N27 N28 1.371(5) . ?
N27 C48 1.306(7) . ?
N28 C49 1.353(6) . ?
N29 C50 1.344(6) . ?
N29 C51 1.342(6) . ?
N30 N31 1.365(5) . ?
N30 C50 1.362(6) . ?
N31 C51 1.318(6) . ?
N32 C52 1.356(7) . ?
N32 C56 1.341(7) . ?
N33 C57 1.327(7) . ?
N33 C61 1.348(7) . ?
N34 C62 1.336(6) . ?
N34 C63 1.365(6) . ?
N35 N36 1.369(5) . ?
N35 C62 1.325(6) . ?
N36 C63 1.339(6) . ?
N37 C64 1.371(6) . ?
N37 C65 1.333(6) . ?
N38 N39 1.389(5) . ?
N38 C64 1.327(6) . ?
N39 C65 1.315(6) . ?
N40 C66 1.343(7) . ?
N40 C70 1.323(7) . ?
N41 C80 1.342(7) . ?
N41 C84 1.352(6) . ?
N42 C78 1.367(6) . ?
N42 C79 1.352(6) . ?
N43 N44 1.385(5) . ?
N43 C79 1.309(6) . ?
N44 C78 1.325(6) . ?
N45 C76 1.352(7) . ?
N45 C77 1.363(6) . ?
N46 N47 1.370(6) . ?
N46 C77 1.339(6) . ?
N47 C76 1.307(6) . ?
N48 C71 1.358(7) . ?
N48 C75 1.336(7) . ?
C1 C2 1.397(11) . ?
C2 C3 1.367(12) . ?
C3 C4 1.375(10) . ?
C4 C5 1.373(8) . ?
C5 C6 1.440(8) . ?
C7 C8 1.453(7) . ?
C9 C10 1.466(8) . ?
C10 C11 1.372(9) . ?
C11 C12 1.397(10) . ?
C12 C13 1.368(11) . ?
C13 C14 1.349(10) . ?
C15 C16 1.397(10) . ?
C16 C17 1.343(13) . ?
C17 C18 1.362(10) . ?
C18 C19 1.376(9) . ?
C19 C20 1.459(7) . ?
C21 C22 1.456(7) . ?
C23 C24 1.473(7) . ?
C24 C25 1.380(9) . ?
C25 C26 1.388(10) . ?
C26 C27 1.370(12) . ?
C27 C28 1.363(10) . ?
C29 C30 1.375(10) . ?
C30 C31 1.364(12) . ?
C31 C32 1.402(10) . ?
C32 C33 1.361(9) . ?
C33 C34 1.477(7) . ?
C35 C36 1.462(7) . ?
C37 C38 1.475(7) . ?
C38 C39 1.392(8) . ?
C39 C40 1.374(9) . ?
C40 C41 1.375(11) . ?
C41 C42 1.369(10) . ?
C43 C44 1.365(9) . ?
C44 C45 1.374(10) . ?
C45 C46 1.341(9) . ?
C46 C47 1.402(8) . ?
C47 C48 1.462(8) . ?
C49 C50 1.451(7) . ?
C51 C52 1.459(7) . ?
C52 C53 1.391(8) . ?
C53 C54 1.396(9) . ?
C54 C55 1.356(9) . ?
C55 C56 1.376(8) . ?
C57 C58 1.386(8) . ?
C58 C59 1.382(9) . ?
C59 C60 1.403(8) . ?
C60 C61 1.376(8) . ?
C61 C62 1.469(7) . ?
C63 C64 1.443(6) . ?
C65 C66 1.472(7) . ?
C66 C67 1.379(8) . ?
C67 C68 1.391(9) . ?
C68 C69 1.361(10) . ?
C69 C70 1.377(9) . ?
C71 C72 1.362(10) . ?
C72 C73 1.371(11) . ?
C73 C74 1.362(10) . ?
C74 C75 1.388(8) . ?
C75 C76 1.458(7) . ?
C77 C78 1.459(7) . ?
C79 C80 1.468(7) . ?
C80 C81 1.390(7) . ?
C81 C82 1.381(8) . ?
C82 C83 1.384(9) . ?
C83 C84 1.396(8) . ?

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
O1 Co1 O3 82.22(12) . . ?
O1 Co1 N4 94.59(13) . . ?
O1 Co1 N22 94.61(14) . . ?
O1 Co1 N46 174.58(13) . . ?
O3 Co1 N4 171.27(14) . . ?
O3 Co1 N22 97.17(14) . . ?
O3 Co1 N46 92.73(13) . . ?
O4 Co1 O1 81.55(12) . . ?
O4 Co1 O3 81.78(12) . . ?
O4 Co1 N4 89.73(14) . . ?
O4 Co1 N22 176.11(14) . . ?
O4 Co1 N46 95.82(14) . . ?
N22 Co1 N4 91.17(15) . . ?
N22 Co1 N46 87.96(15) . . ?
N46 Co1 N4 90.12(15) . . ?
O2 Co2 O3 80.91(13) . . ?
O2 Co2 N30 97.81(14) . . ?
O2 Co2 N36 92.50(14) . . ?
O2 Co2 N44 171.14(14) . . ?
O3 Co2 N30 173.51(13) . . ?
O3 Co2 N36 96.53(13) . . ?
O3 Co2 N44 90.26(13) . . ?
O4 Co2 O2 82.45(12) . . ?
O4 Co2 O3 81.29(12) . . ?
O4 Co2 N30 92.24(14) . . ?
O4 Co2 N36 174.75(14) . . ?
O4 Co2 N44 96.95(13) . . ?
N30 Co2 N36 89.87(15) . . ?
N30 Co2 N44 91.05(14) . . ?
N36 Co2 N44 87.81(14) . . ?
O1 Co3 O4 79.88(12) . . ?
O1 Co3 N6 93.71(13) . . ?
O1 Co3 N12 92.19(13) . . ?
O1 Co3 N28 172.71(14) . . ?
O2 Co3 O1 82.31(12) . . ?
O2 Co3 O4 81.17(12) . . ?
O2 Co3 N6 175.18(15) . . ?
O2 Co3 N12 92.86(14) . . ?
O2 Co3 N28 96.69(14) . . ?
O4 Co3 N6 95.49(14) . . ?
O4 Co3 N12 170.61(13) . . ?
O4 Co3 N28 92.83(14) . . ?
N6 Co3 N12 90.00(15) . . ?
N28 Co3 N6 86.91(15) . . ?
N28 Co3 N12 95.07(15) . . ?
O1 Co4 N14 96.59(13) . . ?
O1 Co4 N20 94.49(13) . . ?
O1 Co4 N38 171.55(13) . . ?
O2 Co4 O1 80.60(12) . . ?
O2 Co4 N14 96.01(14) . . ?
O2 Co4 N20 172.52(14) . . ?
O2 Co4 N38 92.08(13) . . ?
O3 Co4 O1 82.29(12) . . ?
O3 Co4 O2 81.11(13) . . ?
O3 Co4 N14 177.03(14) . . ?
O3 Co4 N20 92.70(14) . . ?
O3 Co4 N38 92.47(13) . . ?
N14 Co4 N20 90.13(15) . . ?
N14 Co4 N38 88.32(15) . . ?
N20 Co4 N38 92.37(14) . . ?
N3 Co5 N1 74.79(17) . . ?
N3 Co5 N24 113.21(18) . . ?
N3 Co5 N47 86.32(17) . . ?
N3 Co5 N48 151.56(18) . . ?
N23 Co5 N1 151.28(19) . . ?
N23 Co5 N3 85.18(17) . . ?
N23 Co5 N24 76.22(17) . . ?
N23 Co5 N47 86.15(17) . . ?
N23 Co5 N48 114.01(18) . . ?
N24 Co5 N1 92.78(18) . . ?
N47 Co5 N1 112.33(18) . . ?
N47 Co5 N24 151.98(18) . . ?
N47 Co5 N48 74.89(16) . . ?
N48 Co5 N1 92.60(18) . . ?
N48 Co5 N24 92.42(18) . . ?
Cl3 Co6 Cl4 112.05(13) . . ?
N42 Co6 Cl3 111.74(16) . . ?
N42 Co6 Cl4 117.84(15) . . ?
N42 Co6 N45 81.35(16) . . ?
N45 Co6 Cl3 112.33(16) . . ?
N45 Co6 Cl4 118.24(16) . . ?
N31 Co7 N32 76.29(16) . . ?
N31 Co7 N33 112.66(16) . . ?
N31 Co7 N35 85.85(17) . . ?
N31 Co7 N41 150.41(17) . . ?
N31 Co7 N43 84.90(16) . . ?
N32 Co7 N41 90.97(16) . . ?
N33 Co7 N32 93.69(16) . . ?
N33 Co7 N41 94.49(15) . . ?
N35 Co7 N32 153.85(17) . . ?
N35 Co7 N33 75.56(16) . . ?
N35 Co7 N41 113.30(16) . . ?
N43 Co7 N32 111.17(17) . . ?
N43 Co7 N33 152.77(16) . . ?
N43 Co7 N35 85.64(16) . . ?
N43 Co7 N41 74.85(15) . . ?
Cl1 Co8 Cl2 114.36(11) . . ?
N34 Co8 Cl1 115.66(15) . . ?
N34 Co8 Cl2 112.46(14) . . ?
N34 Co8 N37 80.73(16) . . ?
N37 Co8 Cl1 114.07(16) . . ?
N37 Co8 Cl2 115.38(14) . . ?
N15 Co9 N16 76.07(16) . . ?
N15 Co9 N17 149.09(17) . . ?
N15 Co9 N40 112.54(17) . . ?
N16 Co9 N40 87.99(16) . . ?
N17 Co9 N16 89.64(18) . . ?
N17 Co9 N40 93.84(16) . . ?
N19 Co9 N15 84.89(17) . . ?
N19 Co9 N16 115.10(17) . . ?
N19 Co9 N17 76.49(16) . . ?
N19 Co9 N40 154.48(17) . . ?
N39 Co9 N15 84.48(16) . . ?
N39 Co9 N16 146.84(18) . . ?
N39 Co9 N17 119.16(17) . . ?
N39 Co9 N19 89.12(16) . . ?
N39 Co9 N40 74.89(15) . . ?
N7 Co10 N8 74.55(17) . . ?
N7 Co10 N9 116.32(18) . . ?
N7 Co10 N25 145.88(18) . . ?
N9 Co10 N8 88.94(19) . . ?
N11 Co10 N7 86.67(17) . . ?
N11 Co10 N8 148.72(18) . . ?
N11 Co10 N9 77.09(17) . . ?
N11 Co10 N25 120.02(18) . . ?
N11 Co10 N27 87.51(16) . . ?
N25 Co10 N8 87.82(18) . . ?
N25 Co10 N9 91.77(17) . . ?
N27 Co10 N7 85.00(17) . . ?
N27 Co10 N8 114.82(18) . . ?
N27 Co10 N9 152.4(2) . . ?
N27 Co10 N25 76.12(16) . . ?
Cl6 Co11 Cl5 113.64(11) . . ?
N2 Co11 Cl5 115.77(17) . . ?
N2 Co11 Cl6 115.58(16) . . ?
N2 Co11 N5 80.36(18) . . ?
N5 Co11 Cl5 110.55(17) . . ?
N5 Co11 Cl6 116.89(17) . . ?
Co1 O1 Co4 96.37(12) . . ?
Co3 O1 Co1 99.39(13) . . ?
Co3 O1 Co4 97.64(13) . . ?
C85 O1 Co1 117.6(3) . . ?
C85 O1 Co3 119.6(3) . . ?
C85 O1 Co4 121.4(3) . . ?
Co2 O2 Co4 98.21(14) . . ?
Co3 O2 Co2 98.28(14) . . ?
Co3 O2 Co4 98.09(13) . . ?
C86 O2 Co2 119.9(4) . . ?
C86 O2 Co3 114.0(4) . . ?
C86 O2 Co4 123.5(4) . . ?
Co1 O3 Co2 96.86(13) . . ?
Co4 O3 Co1 97.57(13) . . ?
Co4 O3 Co2 98.88(13) . . ?
C87 O3 Co1 122.4(4) . . ?
C87 O3 Co2 121.7(4) . . ?
C87 O3 Co4 114.4(4) . . ?
Co1 O4 Co2 98.97(13) . . ?
Co1 O4 Co3 98.42(13) . . ?
Co2 O4 Co3 96.42(13) . . ?
C88 O4 Co1 117.6(4) . . ?
C88 O4 Co2 117.1(4) . . ?
C88 O4 Co3 123.5(4) . . ?
C1 N1 Co5 128.7(5) . . ?
C1 N1 C5 117.9(6) . . ?
C5 N1 Co5 113.1(4) . . ?
C6 N2 Co11 143.3(4) . . ?
C6 N2 C7 103.2(4) . . ?
C7 N2 Co11 113.5(3) . . ?
N4 N3 Co5 132.8(3) . . ?
C6 N3 Co5 117.6(4) . . ?
C6 N3 N4 108.4(4) . . ?
N3 N4 Co1 114.9(3) . . ?
C7 N4 Co1 137.0(3) . . ?
C7 N4 N3 104.5(4) . . ?
C8 N5 Co11 114.5(4) . . ?
C9 N5 Co11 141.7(4) . . ?
C9 N5 C8 102.7(4) . . ?
N7 N6 Co3 118.1(3) . . ?
C8 N6 Co3 134.1(3) . . ?
C8 N6 N7 104.1(4) . . ?
N6 N7 Co10 133.0(3) . . ?
C9 N7 Co10 118.4(3) . . ?
C9 N7 N6 108.0(4) . . ?
C10 N8 Co10 112.7(4) . . ?
C14 N8 Co10 130.1(5) . . ?
C14 N8 C10 117.0(6) . . ?
C15 N9 Co10 130.6(5) . . ?
C15 N9 C19 118.0(5) . . ?
C19 N9 Co10 111.2(3) . . ?
C20 N10 C21 102.0(4) . . ?
N12 N11 Co10 136.2(3) . . ?
C20 N11 Co10 116.0(3) . . ?
C20 N11 N12 107.7(4) . . ?
N11 N12 Co3 115.7(3) . . ?
C21 N12 Co3 139.5(3) . . ?
C21 N12 N11 103.6(4) . . ?
C23 N13 C22 102.2(4) . . ?
N15 N14 Co4 114.7(3) . . ?
C22 N14 Co4 137.6(3) . . ?
C22 N14 N15 104.3(4) . . ?
N14 N15 Co9 137.0(3) . . ?
C23 N15 Co9 116.7(3) . . ?
C23 N15 N14 106.3(4) . . ?
C24 N16 Co9 113.2(3) . . ?
C24 N16 C28 116.5(5) . . ?
C28 N16 Co9 130.0(4) . . ?
C29 N17 Co9 130.6(4) . . ?
C29 N17 C33 116.9(5) . . ?
C33 N17 Co9 112.1(3) . . ?
C34 N18 C35 100.7(4) . . ?
N20 N19 Co9 135.0(3) . . ?
C34 N19 Co9 115.5(3) . . ?
C34 N19 N20 106.8(4) . . ?
N19 N20 Co4 114.7(3) . . ?
C35 N20 Co4 140.1(3) . . ?
C35 N20 N19 104.0(4) . . ?
C37 N21 C36 100.0(4) . . ?
N23 N22 Co1 113.7(3) . . ?
C36 N22 Co1 136.4(3) . . ?
C36 N22 N23 104.4(4) . . ?
N22 N23 Co5 134.1(3) . . ?
C37 N23 Co5 117.9(3) . . ?
C37 N23 N22 106.5(4) . . ?
C38 N24 Co5 113.2(3) . . ?
C42 N24 Co5 129.4(4) . . ?
C42 N24 C38 117.4(5) . . ?
C43 N25 Co10 130.2(4) . . ?
C43 N25 C47 117.5(5) . . ?
C47 N25 Co10 111.7(4) . . ?
C49 N26 C48 101.6(4) . . ?
N28 N27 Co10 135.7(3) . . ?
C48 N27 Co10 116.4(3) . . ?
C48 N27 N28 107.2(4) . . ?
N27 N28 Co3 115.7(3) . . ?
C49 N28 Co3 140.2(3) . . ?
C49 N28 N27 103.4(4) . . ?
C51 N29 C50 102.7(4) . . ?
N31 N30 Co2 113.9(3) . . ?
C50 N30 Co2 136.9(3) . . ?
C50 N30 N31 103.7(4) . . ?
N30 N31 Co7 133.4(3) . . ?
C51 N31 Co7 117.1(3) . . ?
C51 N31 N30 108.0(4) . . ?
C52 N32 Co7 112.2(3) . . ?
C56 N32 Co7 129.6(4) . . ?
C56 N32 C52 118.2(5) . . ?
C57 N33 Co7 127.6(4) . . ?
C57 N33 C61 117.8(5) . . ?
C61 N33 Co7 114.3(3) . . ?
C62 N34 Co8 143.5(3) . . ?
C62 N34 C63 102.4(4) . . ?
C63 N34 Co8 113.6(3) . . ?
N36 N35 Co7 133.9(3) . . ?
C62 N35 Co7 118.2(3) . . ?
C62 N35 N36 107.8(4) . . ?
N35 N36 Co2 114.2(3) . . ?
C63 N36 Co2 132.7(3) . . ?
C63 N36 N35 104.3(4) . . ?
C64 N37 Co8 113.5(3) . . ?
C65 N37 Co8 144.3(4) . . ?
C65 N37 C64 102.1(4) . . ?
N39 N38 Co4 116.8(3) . . ?
C64 N38 Co4 132.5(3) . . ?
C64 N38 N39 103.6(4) . . ?
N38 N39 Co9 131.9(3) . . ?
C65 N39 Co9 120.1(3) . . ?
C65 N39 N38 107.8(4) . . ?
C66 N40 Co9 112.7(3) . . ?
C70 N40 Co9 130.0(4) . . ?
C70 N40 C66 117.2(5) . . ?
C80 N41 Co7 114.4(3) . . ?
C80 N41 C84 119.0(4) . . ?
C84 N41 Co7 126.3(4) . . ?
C78 N42 Co6 113.1(3) . . ?
C79 N42 Co6 145.3(3) . . ?
C79 N42 C78 101.1(4) . . ?
N44 N43 Co7 133.5(3) . . ?
C79 N43 Co7 118.9(3) . . ?
C79 N43 N44 107.5(4) . . ?
N43 N44 Co2 115.5(3) . . ?
C78 N44 Co2 135.9(3) . . ?
C78 N44 N43 104.0(4) . . ?
C76 N45 Co6 145.0(4) . . ?
C76 N45 C77 102.5(4) . . ?
C77 N45 Co6 112.3(3) . . ?
N47 N46 Co1 116.4(3) . . ?
C77 N46 Co1 133.3(3) . . ?
C77 N46 N47 103.1(4) . . ?
N46 N47 Co5 132.3(3) . . ?
C76 N47 Co5 117.9(3) . . ?
C76 N47 N46 109.7(4) . . ?
C71 N48 Co5 128.5(4) . . ?
C75 N48 Co5 115.3(3) . . ?
C75 N48 C71 116.2(5) . . ?
N1 C1 C2 123.1(8) . . ?
C3 C2 C1 117.8(8) . . ?
C2 C3 C4 119.6(7) . . ?
C5 C4 C3 120.7(7) . . ?
N1 C5 C4 120.7(6) . . ?
N1 C5 C6 113.0(5) . . ?
C4 C5 C6 126.2(6) . . ?
N2 C6 C5 129.8(5) . . ?
N3 C6 N2 111.5(5) . . ?
N3 C6 C5 118.6(5) . . ?
N2 C7 C8 116.8(4) . . ?
N4 C7 N2 112.3(4) . . ?
N4 C7 C8 130.9(4) . . ?
N5 C8 C7 114.4(5) . . ?
N6 C8 N5 113.6(4) . . ?
N6 C8 C7 132.0(4) . . ?
N5 C9 C10 129.5(5) . . ?
N7 C9 N5 111.5(5) . . ?
N7 C9 C10 118.8(5) . . ?
N8 C10 C9 114.8(5) . . ?
N8 C10 C11 123.5(6) . . ?
C11 C10 C9 121.7(6) . . ?
C10 C11 C12 118.1(8) . . ?
C13 C12 C11 117.6(7) . . ?
C14 C13 C12 119.9(7) . . ?
N8 C14 C13 123.9(7) . . ?
N9 C15 C16 123.3(7) . . ?
C17 C16 C15 116.4(7) . . ?
C16 C17 C18 122.8(8) . . ?
C17 C18 C19 118.6(8) . . ?
N9 C19 C18 120.9(6) . . ?
N9 C19 C20 114.4(5) . . ?
C18 C19 C20 124.3(6) . . ?
N10 C20 C19 126.9(5) . . ?
N11 C20 N10 113.2(4) . . ?
N11 C20 C19 119.8(5) . . ?
N10 C21 N12 113.4(4) . . ?
N10 C21 C22 116.6(4) . . ?
N12 C21 C22 129.9(4) . . ?
N13 C22 C21 117.8(4) . . ?
N14 C22 N13 112.8(4) . . ?
N14 C22 C21 129.4(4) . . ?
N13 C23 C24 127.6(5) . . ?
N15 C23 N13 114.3(4) . . ?
N15 C23 C24 118.0(5) . . ?
N16 C24 C23 114.6(5) . . ?
N16 C24 C25 123.7(6) . . ?
C25 C24 C23 121.4(6) . . ?
C24 C25 C26 118.5(8) . . ?
C27 C26 C25 118.0(7) . . ?
C28 C27 C26 120.0(7) . . ?
N16 C28 C27 123.3(7) . . ?
N17 C29 C30 123.7(7) . . ?
C31 C30 C29 118.8(7) . . ?
C30 C31 C32 118.8(8) . . ?
C33 C32 C31 118.7(7) . . ?
N17 C33 C32 122.9(5) . . ?
N17 C33 C34 113.3(5) . . ?
C32 C33 C34 123.7(6) . . ?
N18 C34 C33 126.7(5) . . ?
N19 C34 N18 114.6(4) . . ?
N19 C34 C33 118.6(5) . . ?
N18 C35 C36 118.8(4) . . ?
N20 C35 N18 113.9(4) . . ?
N20 C35 C36 127.3(4) . . ?
N21 C36 C35 117.8(4) . . ?
N22 C36 N21 114.3(4) . . ?
N22 C36 C35 127.6(4) . . ?
N21 C37 C38 128.3(5) . . ?
N23 C37 N21 114.7(4) . . ?
N23 C37 C38 117.0(5) . . ?
N24 C38 C37 113.9(5) . . ?
N24 C38 C39 122.9(5) . . ?
C39 C38 C37 123.0(6) . . ?
C40 C39 C38 119.1(6) . . ?
C39 C40 C41 117.3(6) . . ?
C42 C41 C40 122.3(6) . . ?
N24 C42 C41 120.9(6) . . ?
N25 C43 C44 123.1(6) . . ?
C43 C44 C45 119.1(6) . . ?
C46 C45 C44 119.6(6) . . ?
C45 C46 C47 119.1(6) . . ?
N25 C47 C46 121.6(5) . . ?
N25 C47 C48 114.7(5) . . ?
C46 C47 C48 123.6(5) . . ?
N26 C48 C47 128.0(5) . . ?
N27 C48 N26 113.8(5) . . ?
N27 C48 C47 118.1(5) . . ?
N26 C49 N28 114.0(4) . . ?
N26 C49 C50 117.8(5) . . ?
N28 C49 C50 128.2(5) . . ?
N29 C50 N30 113.0(4) . . ?
N29 C50 C49 119.7(4) . . ?
N30 C50 C49 127.0(4) . . ?
N29 C51 C52 129.4(5) . . ?
N31 C51 N29 112.5(4) . . ?
N31 C51 C52 118.0(4) . . ?
N32 C52 C51 114.3(5) . . ?
N32 C52 C53 121.8(5) . . ?
C53 C52 C51 123.6(5) . . ?
C52 C53 C54 117.9(6) . . ?
C55 C54 C53 120.2(6) . . ?
C54 C55 C56 119.0(6) . . ?
N32 C56 C55 122.9(6) . . ?
N33 C57 C58 123.0(5) . . ?
C59 C58 C57 119.7(6) . . ?
C58 C59 C60 117.5(6) . . ?
C61 C60 C59 119.0(6) . . ?
N33 C61 C60 123.0(5) . . ?
N33 C61 C62 113.4(4) . . ?
C60 C61 C62 123.4(5) . . ?
N34 C62 C61 129.5(5) . . ?
N35 C62 N34 112.5(4) . . ?
N35 C62 C61 117.6(4) . . ?
N34 C63 C64 116.4(4) . . ?
N36 C63 N34 113.0(4) . . ?
N36 C63 C64 130.3(4) . . ?
N37 C64 C63 115.5(4) . . ?
N38 C64 N37 113.7(4) . . ?
N38 C64 C63 130.8(4) . . ?
N37 C65 C66 128.7(5) . . ?
N39 C65 N37 112.8(4) . . ?
N39 C65 C66 118.1(4) . . ?
N40 C66 C65 114.1(5) . . ?
N40 C66 C67 123.6(5) . . ?
C67 C66 C65 122.3(5) . . ?
C66 C67 C68 117.7(6) . . ?
C69 C68 C67 118.7(6) . . ?
C68 C69 C70 119.8(6) . . ?
N40 C70 C69 122.9(6) . . ?
N48 C71 C72 123.3(7) . . ?
C71 C72 C73 118.8(7) . . ?
C74 C73 C72 120.0(7) . . ?
C73 C74 C75 117.9(6) . . ?
N48 C75 C74 123.7(5) . . ?
N48 C75 C76 112.7(5) . . ?
C74 C75 C76 123.3(5) . . ?
N45 C76 C75 129.9(5) . . ?
N47 C76 N45 111.2(4) . . ?
N47 C76 C75 118.9(5) . . ?
N45 C77 C78 116.4(4) . . ?
N46 C77 N45 113.5(4) . . ?
N46 C77 C78 130.0(4) . . ?
N42 C78 C77 115.7(4) . . ?
N44 C78 N42 114.1(4) . . ?
N44 C78 C77 130.1(4) . . ?
N42 C79 C80 128.6(4) . . ?
N43 C79 N42 113.2(4) . . ?
N43 C79 C80 118.1(5) . . ?
N41 C80 C79 112.5(4) . . ?
N41 C80 C81 122.5(5) . . ?
C81 C80 C79 124.9(5) . . ?
C82 C81 C80 118.5(6) . . ?
C81 C82 C83 119.4(6) . . ?
C82 C83 C84 119.3(5) . . ?
N41 C84 C83 121.1(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_20180405_hfp_cyk_co8cd6_3_bigaaaa_sq
_database_code_depnum_ccdc_archive 'CCDC 1991482'
_audit_update_record             
;
2020-03-19 deposited with the CCDC.	2020-06-30 downloaded from the CCDC.
;
_audit_creation_date             2020-03-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C93.25 H69.75 Cd6 Cl17.5 Co11 N49.75 O5.75, 0.5(Cl)'
_chemical_formula_sum            'C93.50 H69 Cd6 Cl18 Co11 N49.75 O5.75'
_chemical_formula_weight         3942.21
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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'
Co Co 0.3494 0.9721 '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'

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

_cell_length_a                   22.5985(6)
_cell_length_b                   19.7687(5)
_cell_length_c                   33.4937(10)
_cell_angle_alpha                90
_cell_angle_beta                 98.555(3)
_cell_angle_gamma                90
_cell_volume                     14796.6(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    26845
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.2900
_cell_measurement_theta_min      3.4840
_shelx_estimated_absorpt_T_max   0.520
_shelx_estimated_absorpt_T_min   0.459
_exptl_absorpt_coefficient_mu    2.424
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7661
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.31
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0999
_diffrn_reflns_av_unetI/netI     0.0893
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            103273
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         3.223
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6296
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -17.00  84.00   0.50   50.00    --   10.68  57.00  60.00  202
  2  ω    -24.00  27.00   0.50   50.00    --   10.68  86.00 -23.00  102
  3  ω    -97.00 -67.00   0.50   50.00    --  -11.93-178.00 120.00   60
  4  ω    -20.00   7.00   0.50   50.00    --  -11.93 -99.00  90.00   54
  5  ω    -12.00  70.00   0.50   50.00    --  -11.93   0.00 120.00  164
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0033764000
_diffrn_orient_matrix_UB_12      0.0353484000
_diffrn_orient_matrix_UB_13      -0.0025505000
_diffrn_orient_matrix_UB_21      -0.0091345000
_diffrn_orient_matrix_UB_22      0.0057934000
_diffrn_orient_matrix_UB_23      0.0190787000
_diffrn_orient_matrix_UB_31      0.0301896000
_diffrn_orient_matrix_UB_32      -0.0021918000
_diffrn_orient_matrix_UB_33      0.0094059000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17354
_reflns_number_total             27043
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.412
_refine_diff_density_min         -2.186
_refine_diff_density_rms         0.181
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1855
_refine_ls_number_reflns         27043
_refine_ls_number_restraints     203
_refine_ls_R_factor_all          0.1309
_refine_ls_R_factor_gt           0.0926
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1452P)²+100.1811P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2552
_refine_ls_wR_factor_ref         0.2907
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C92-C94
 2.3 with sigma of 0.02
 C97-N51 = C96-N51 = N52-C97' = N52-C96' = N49-C91 = N49-C90
 1.45 with sigma of 0.02
 O7'-C95' = O7-C95 = C92-O6 = C92-N50
 1.3 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(Cl17) \\sim Ueq, Uanis(Cl20) \\sim Ueq, Uanis(Cl18) \\sim Ueq,
Uanis(Cl18) \\sim Ueq, Uanis(Cl23) \\sim Ueq, Uanis(Cl21) \\sim Ueq, Uanis(Cl3)
\\sim Ueq, Uanis(Cl12) \\sim Ueq, Uanis(Cl25) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C95') \\sim Ueq, Uanis(C95) \\sim Ueq, Uanis(N51) \\sim Ueq, Uanis(C96')
\\sim Ueq, Uanis(C96) \\sim Ueq, Uanis(C97') \\sim Ueq, Uanis(C97) \\sim Ueq,
Uanis(N52) \\sim Ueq, Uanis(C92) \\sim Ueq, Uanis(N50) \\sim Ueq, Uanis(C94)
\\sim Ueq, Uanis(C93) \\sim Ueq, Uanis(C89) \\sim Ueq, Uanis(C91) \\sim Ueq,
Uanis(C90) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O7') \\sim Ueq, Uanis(Cl22) \\sim Ueq, Uanis(Cl16) \\sim Ueq, Uanis(C33)
\\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C30) \\sim Ueq,
Uanis(C29) \\sim Ueq, Uanis(Cl3) \\sim Ueq, Uanis(O5) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: Cl1(0.75) Cl22(0.5) Cl2(0.5) Cl11(0.75) Cl16(0.5) Cl24(0.25)
 H89(0.75) Cd6(0.5) Co11(0.75) Cl4(0.5) Cl7(0.5) Cl14(0.5) Cl20(0.75)
 Cl18(0.75) Cl19(0.75) O6(0.25) O7(0.25) N50(0.25) N51(0.25) C92(0.25)
 H92(0.25) C93(0.25) H93A(0.25) H93B(0.25) H93C(0.25) C94(0.25) H94A(0.25)
 H94B(0.25) H94C(0.25) C95(0.25) H95(0.25) C96(0.25) C97(0.25) H97A(0.25)
 H97B(0.25) H97C(0.25) Cd6'(0.5) Co12(0.25) Cl21(0.25) Cl23(0.25) Cl4'(0.5)
 Cl15(0.5) O7'(0.25) N52(0.25) C95'(0.25) H95'(0.25) C96'(0.25) C97'(0.25)
 Cl25(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C17(H17), C18(H18), C25(H25), C26(H26), C27(H27), C28(H28),
  C29(H29), C30(H30), C31(H31), C32(H32), C39(H39), C40(H40), C41(H41),
 C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C53(H53), C54(H54), C55(H55),
  C56(H56), C57(H57), C58(H58), C59(H59), C60(H60), C67(H67), C68(H68),
 C69(H69), C70(H70), C71(H71), C72(H72), C73(H73), C74(H74), C81(H81), C82(H82),
  C83(H83), C84(H84), C89(H89), C92(H92), C95(H95), C95'(H95')
5.b Idealised Me refined as rotating group:
 C85(H85A,H85B,H85C), C86(H86A,H86B,H86C), C87(H87A,H87B,H87C), C88(H88A,H88B,
 H88C), C90(H90A,H90B,H90C), C91(H91A,H91B,H91C), C93(H93A,H93B,H93C), C94(H94A,
 H94B,H94C), C97(H97A,H97B,H97C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.56851(4) 0.72874(4) -0.07862(3) 0.0522(2) Uani 1 1 d . . . . .
Cd2 Cd 0.50112(4) 0.79139(5) 0.00892(3) 0.0577(3) Uani 1 1 d . . . . .
Cd3 Cd 0.93624(4) 0.12104(5) -0.10985(3) 0.0634(3) Uani 1 1 d . . . . .
Cd4 Cd 0.56593(5) 0.30600(5) -0.29198(3) 0.0668(3) Uani 1 1 d . . . . .
Cd5 Cd 0.85611(4) 0.43453(6) 0.12586(3) 0.0665(3) Uani 1 1 d . . . . .
Co1 Co 0.64458(5) 0.41607(7) -0.10865(4) 0.0377(3) Uani 1 1 d . . . . .
Co2 Co 0.76411(6) 0.48878(7) -0.06711(4) 0.0409(3) Uani 1 1 d . . . . .
Co3 Co 0.76800(6) 0.38446(7) -0.13858(4) 0.0398(3) Uani 1 1 d . . . . .
Co4 Co 0.74419(6) 0.33240(7) -0.05293(4) 0.0385(3) Uani 1 1 d . . . . .
Co5 Co 0.47438(6) 0.44350(7) -0.14086(5) 0.0440(4) Uani 1 1 d . . . . .
Co6 Co 0.83704(7) 0.65059(8) -0.01496(6) 0.0556(4) Uani 1 1 d . . . . .
Co7 Co 0.84183(7) 0.34716(8) -0.23269(5) 0.0507(4) Uani 1 1 d . . . . .
Co8 Co 0.76622(6) 0.17940(8) 0.02061(5) 0.0486(4) Uani 1 1 d . . . . .
Co9 Co 0.87092(12) -0.07342(15) -0.14562(8) 0.1070(9) Uani 1 1 d . . . . .
Co10 Co 0.8183(2) 0.5117(4) 0.23787(16) 0.210(2) Uani 1 1 d . . . . .
Cl1 Cl 0.5741(5) 0.4392(4) -0.2984(3) 0.157(4) Uani 0.75 1 d . . P D .
Cl22 Cl 0.8681(12) 0.4214(15) 0.2972(9) 0.277(12) Uani 0.5 1 d . U P . .
Cl2 Cl 0.4679(6) 0.3162(8) -0.3211(4) 0.147(5) Uani 0.5 1 d . . P D .
Cl3 Cl 0.5551(3) 0.1815(2) -0.27980(18) 0.133(2) Uani 1 1 d . U . . .
Cl5 Cl 1.03727(16) 0.1367(2) -0.07533(15) 0.0910(12) Uani 1 1 d . . . . .
Cl6 Cl 0.9073(3) 0.0001(2) -0.09427(18) 0.1209(18) Uani 1 1 d . . . . .
Cl8 Cl 0.55320(19) 0.8081(2) -0.13355(12) 0.0828(11) Uani 1 1 d . . . . .
Cl9 Cl 0.60528(13) 0.79326(17) -0.01230(10) 0.0629(8) Uani 1 1 d . . . . .
Cl10 Cl 0.47133(16) 0.70468(19) -0.05149(12) 0.0748(9) Uani 1 1 d . . . . .
Cl11 Cl 0.5406(5) 0.8610(6) 0.0642(4) 0.178(4) Uani 0.75 1 d . . P G .
Cl12 Cl 0.92264(17) 0.3317(2) 0.14661(18) 0.1089(16) Uani 1 1 d . U . . .
Cl13 Cl 0.7813(2) 0.4692(3) 0.16742(14) 0.1110(16) Uani 1 1 d . . . . .
Cl16 Cl 0.8363(8) 0.6359(12) 0.2507(6) 0.214(8) Uani 0.5 1 d . U P . .
Cl17 Cl 0.7158(3) 0.5208(4) 0.26860(18) 0.137(2) Uani 1 1 d . U . . .
Cl24 Cl 1.0231(12) 0.5430(14) -0.2185(8) 0.141(9) Uani 0.25 1 d . . P . .
O1 O 0.7016(3) 0.3329(3) -0.1126(2) 0.0367(15) Uani 1 1 d . . . . .
O2 O 0.6965(3) 0.4250(3) -0.0520(2) 0.0401(16) Uani 1 1 d . . . . .
O3 O 0.8046(3) 0.3972(3) -0.0771(2) 0.0399(15) Uani 1 1 d . . . . .
O4 O 0.7174(3) 0.4677(3) -0.1259(2) 0.0391(15) Uani 1 1 d . . . . .
N1 N 0.8079(4) 0.7548(5) -0.0321(3) 0.059(3) Uani 1 1 d . . . . .
N2 N 0.6634(4) 0.6787(4) -0.0710(3) 0.047(2) Uani 1 1 d . . . . .
N3 N 0.7523(4) 0.6387(4) -0.0471(3) 0.048(2) Uani 1 1 d . . . . .
N4 N 0.7165(4) 0.5842(4) -0.0602(3) 0.044(2) Uani 1 1 d . . . . .
N5 N 0.5630(4) 0.6212(4) -0.1075(3) 0.046(2) Uani 1 1 d . . . . .
N6 N 0.5966(3) 0.5147(4) -0.1038(3) 0.0404(19) Uani 1 1 d . . . . .
N7 N 0.5390(4) 0.5150(4) -0.1237(3) 0.046(2) Uani 1 1 d . . . . .
N8 N 0.4313(4) 0.5377(5) -0.1622(3) 0.052(2) Uani 1 1 d . . . . .
N9 N 0.4174(4) 0.3798(5) -0.1860(3) 0.060(3) Uani 1 1 d . . . . .
N10 N 0.5542(4) 0.3381(5) -0.2261(3) 0.053(2) Uani 1 1 d . . . . .
N11 N 0.5341(4) 0.3963(5) -0.1734(3) 0.044(2) Uani 1 1 d . . . . .
N12 N 0.5954(4) 0.3984(5) -0.1714(3) 0.044(2) Uani 1 1 d . . . . .
N13 N 0.6609(4) 0.3135(5) -0.2528(3) 0.056(2) Uani 1 1 d . . . . .
N14 N 0.7176(4) 0.3647(4) -0.2009(3) 0.042(2) Uani 1 1 d . . . . .
N15 N 0.7535(4) 0.3388(5) -0.2269(3) 0.053(2) Uani 1 1 d . . . . .
N16 N 0.8066(4) 0.2778(5) -0.2808(3) 0.054(2) Uani 1 1 d . . . . .
N17 N 0.8676(5) 0.4213(5) -0.2751(3) 0.065(3) Uani 1 1 d . . . . .
N18 N 0.8930(5) 0.5299(5) -0.1848(3) 0.062(3) Uani 1 1 d . . . . .
N19 N 0.8413(4) 0.4370(5) -0.2016(3) 0.054(2) Uani 1 1 d . . . . .
N20 N 0.8340(4) 0.4512(4) -0.1629(3) 0.049(2) Uani 1 1 d . . . . .
N21 N 0.9204(4) 0.5893(5) -0.1103(4) 0.069(3) Uani 1 1 d . . . . .
N22 N 0.8378(4) 0.5484(4) -0.0888(3) 0.046(2) Uani 1 1 d . . . . .
N23 N 0.8640(4) 0.5953(5) -0.0612(3) 0.051(2) Uani 1 1 d . . . . .
N24 N 0.9307(4) 0.6803(5) -0.0153(4) 0.073(3) Uani 1 1 d . . . . .
N25 N 0.9346(4) 0.3019(6) -0.2287(3) 0.062(3) Uani 1 1 d . . . . .
N26 N 0.9060(4) 0.2285(5) -0.1336(3) 0.051(2) Uani 1 1 d . . . . .
N27 N 0.8593(4) 0.3038(5) -0.1757(3) 0.049(2) Uani 1 1 d . . . . .
N28 N 0.8256(4) 0.2972(5) -0.1452(3) 0.046(2) Uani 1 1 d . . . . .
N29 N 0.8748(4) 0.1700(5) -0.0678(3) 0.049(2) Uani 1 1 d . . . . .
N30 N 0.8004(4) 0.2427(4) -0.0604(3) 0.043(2) Uani 1 1 d . . . . .
N31 N 0.8099(4) 0.1992(4) -0.0277(3) 0.046(2) Uani 1 1 d . . . . .
N32 N 0.8462(4) 0.1161(5) 0.0323(3) 0.056(2) Uani 1 1 d . . . . .
N33 N 0.7619(4) 0.1879(5) 0.0853(3) 0.059(3) Uani 1 1 d . . . . .
N34 N 0.8004(5) 0.3663(5) 0.0759(3) 0.060(3) Uani 1 1 d . . . . .
N35 N 0.7776(4) 0.2819(5) 0.0326(3) 0.054(2) Uani 1 1 d . . . . .
N36 N 0.7856(4) 0.3392(4) 0.0103(3) 0.043(2) Uani 1 1 d . . . . .
N37 N 0.8270(4) 0.4962(5) 0.0661(3) 0.056(2) Uani 1 1 d . . . . .
N38 N 0.8081(4) 0.4960(4) -0.0017(3) 0.048(2) Uani 1 1 d . . . . .
N39 N 0.8222(4) 0.5604(5) 0.0123(4) 0.058(3) Uani 1 1 d . . . . .
N40 N 0.8409(5) 0.6775(5) 0.0495(3) 0.062(3) Uani 1 1 d . . . . .
N41 N 0.4066(4) 0.4302(5) -0.0997(3) 0.060(3) Uani 1 1 d . . . . .
N42 N 0.5113(4) 0.3055(4) -0.0493(3) 0.046(2) Uani 1 1 d . . . . .
N43 N 0.5166(4) 0.3874(5) -0.0932(3) 0.045(2) Uani 1 1 d . . . . .
N44 N 0.5734(3) 0.3600(4) -0.0847(3) 0.0408(19) Uani 1 1 d . . . . .
N45 N 0.5925(4) 0.2015(4) -0.0298(3) 0.048(2) Uani 1 1 d . . . . .
N46 N 0.6707(3) 0.2681(4) -0.0348(3) 0.041(2) Uani 1 1 d . . . . .
N47 N 0.6908(3) 0.2068(4) -0.0175(3) 0.046(2) Uani 1 1 d . . . . .
N48 N 0.7102(5) 0.0862(5) 0.0143(3) 0.059(3) Uani 1 1 d . . . . .
N49 N 0.4425(7) 0.9201(8) -0.0992(5) 0.107(5) Uani 1 1 d D . . . .
C1 C 0.8390(7) 0.8121(7) -0.0292(5) 0.081(4) Uani 1 1 d . . . . .
H1 H 0.879015 0.810490 -0.017605 0.098 Uiso 1 1 calc R . . . .
C2 C 0.8151(8) 0.8744(7) -0.0427(6) 0.088(5) Uani 1 1 d . . . . .
H2 H 0.838259 0.913476 -0.040360 0.106 Uiso 1 1 calc R . . . .
C3 C 0.7574(7) 0.8758(7) -0.0591(6) 0.082(5) Uani 1 1 d . . . . .
H3 H 0.740132 0.917027 -0.067520 0.099 Uiso 1 1 calc R . . . .
C4 C 0.7229(6) 0.8185(6) -0.0640(4) 0.062(3) Uani 1 1 d . . . . .
H4 H 0.683225 0.819791 -0.076271 0.074 Uiso 1 1 calc R . . . .
C5 C 0.7495(5) 0.7594(5) -0.0500(4) 0.050(3) Uani 1 1 d . . . . .
C6 C 0.7189(5) 0.6930(5) -0.0545(3) 0.046(3) Uani 1 1 d . . . . .
C7 C 0.6639(4) 0.6112(5) -0.0744(3) 0.041(2) Uani 1 1 d . . . . .
C8 C 0.6092(5) 0.5790(5) -0.0945(3) 0.043(2) Uani 1 1 d . . . . .
C9 C 0.5212(5) 0.5789(6) -0.1251(3) 0.047(3) Uani 1 1 d . . . . .
C10 C 0.4627(5) 0.5944(6) -0.1485(4) 0.055(3) Uani 1 1 d . . . . .
C11 C 0.4419(6) 0.6586(7) -0.1579(4) 0.065(3) Uani 1 1 d . . . . .
H11 H 0.465402 0.695885 -0.149175 0.078 Uiso 1 1 calc R . . . .
C12 C 0.3857(6) 0.6677(8) -0.1803(5) 0.078(4) Uani 1 1 d . . . . .
H12 H 0.369497 0.710608 -0.185401 0.094 Uiso 1 1 calc R . . . .
C13 C 0.3543(6) 0.6088(9) -0.1949(5) 0.078(4) Uani 1 1 d . . . . .
H13 H 0.317091 0.613102 -0.210841 0.094 Uiso 1 1 calc R . . . .
C14 C 0.3770(5) 0.5469(7) -0.1864(4) 0.063(3) Uani 1 1 d . . . . .
H14 H 0.355523 0.509297 -0.197119 0.075 Uiso 1 1 calc R . . . .
C15 C 0.3590(6) 0.3650(9) -0.1874(5) 0.088(5) Uani 1 1 d . . . . .
H15 H 0.337138 0.388645 -0.170573 0.106 Uiso 1 1 calc R . . . .
C16 C 0.3304(7) 0.3171(12) -0.2123(7) 0.114(7) Uani 1 1 d . . . . .
H16 H 0.289749 0.308861 -0.212782 0.137 Uiso 1 1 calc R . . . .
C17 C 0.3637(7) 0.2801(9) -0.2373(5) 0.090(5) Uani 1 1 d . . . . .
H17 H 0.345802 0.246024 -0.254038 0.109 Uiso 1 1 calc R . . . .
C18 C 0.4235(6) 0.2958(9) -0.2364(5) 0.089(5) Uani 1 1 d . . . . .
H18 H 0.446105 0.273419 -0.253373 0.107 Uiso 1 1 calc R . . . .
C19 C 0.4486(5) 0.3430(6) -0.2111(4) 0.053(3) Uani 1 1 d . . . . .
C20 C 0.5120(5) 0.3591(6) -0.2047(3) 0.048(3) Uani 1 1 d . . . . .
C21 C 0.6055(4) 0.3631(6) -0.2031(3) 0.046(3) Uani 1 1 d . . . . .
C22 C 0.6616(5) 0.3474(5) -0.2180(3) 0.043(2) Uani 1 1 d . . . . .
C23 C 0.7185(5) 0.3084(6) -0.2563(4) 0.050(3) Uani 1 1 d . . . . .
C24 C 0.7486(5) 0.2710(6) -0.2864(4) 0.055(3) Uani 1 1 d . . . . .
C25 C 0.7170(7) 0.2306(8) -0.3155(5) 0.082(4) Uani 1 1 d . . . . .
H25 H 0.675561 0.226994 -0.318088 0.098 Uiso 1 1 calc R . . . .
C26 C 0.7499(8) 0.1949(8) -0.3410(5) 0.081(4) Uani 1 1 d . . . . .
H26 H 0.730112 0.166436 -0.360722 0.097 Uiso 1 1 calc R . . . .
C27 C 0.8097(8) 0.2014(9) -0.3373(5) 0.089(5) Uani 1 1 d . . . . .
H27 H 0.831813 0.179234 -0.354657 0.107 Uiso 1 1 calc R . . . .
C28 C 0.8388(6) 0.2456(7) -0.3042(4) 0.065(3) Uani 1 1 d . . . . .
H28 H 0.880159 0.250350 -0.300013 0.078 Uiso 1 1 calc R . . . .
C29 C 0.8731(7) 0.4161(8) -0.3127(5) 0.082(4) Uani 1 1 d . U . . .
H29 H 0.865155 0.373873 -0.324525 0.099 Uiso 1 1 calc R . . . .
C30 C 0.8904(10) 0.4693(12) -0.3386(7) 0.122(7) Uani 1 1 d . U . . .
H30 H 0.887223 0.465772 -0.366484 0.146 Uiso 1 1 calc R . . . .
C31 C 0.9111(11) 0.5233(14) -0.3179(7) 0.133(8) Uani 1 1 d . U . . .
H31 H 0.929244 0.557106 -0.331066 0.160 Uiso 1 1 calc R . . . .
C32 C 0.9070(9) 0.5315(11) -0.2780(6) 0.111(6) Uani 1 1 d . U . . .
H32 H 0.918552 0.571963 -0.264947 0.133 Uiso 1 1 calc R . . . .
C33 C 0.8862(7) 0.4803(8) -0.2577(5) 0.077(4) Uani 1 1 d . U . . .
C34 C 0.8760(6) 0.4824(6) -0.2132(4) 0.060(3) Uani 1 1 d . . . . .
C35 C 0.8654(5) 0.5074(6) -0.1543(4) 0.050(3) Uani 1 1 d . . . . .
C36 C 0.8717(4) 0.5464(5) -0.1174(4) 0.047(3) Uani 1 1 d . . . . .
C37 C 0.9119(5) 0.6192(6) -0.0748(5) 0.061(3) Uani 1 1 d . . . . .
C38 C 0.9527(6) 0.6620(6) -0.0498(6) 0.075(4) Uani 1 1 d . . . . .
C39 C 1.0105(7) 0.6813(9) -0.0547(7) 0.100(6) Uani 1 1 d . . . . .
H39 H 1.025330 0.668964 -0.078100 0.119 Uiso 1 1 calc R . . . .
C40 C 1.0453(8) 0.7172(11) -0.0265(7) 0.114(7) Uani 1 1 d . . . . .
H40 H 1.084414 0.728212 -0.029502 0.137 Uiso 1 1 calc R . . . .
C41 C 1.0216(8) 0.7376(9) 0.0073(8) 0.114(8) Uani 1 1 d . . . . .
H41 H 1.044110 0.765151 0.026272 0.137 Uiso 1 1 calc R . . . .
C42 C 0.9638(6) 0.7173(8) 0.0136(6) 0.087(5) Uani 1 1 d . . . . .
H42 H 0.948978 0.729150 0.037037 0.105 Uiso 1 1 calc R . . . .
C43 C 0.9736(6) 0.3084(8) -0.2553(5) 0.076(4) Uani 1 1 d . . . . .
H43 H 0.962481 0.332707 -0.278933 0.092 Uiso 1 1 calc R . . . .
C44 C 1.0288(7) 0.2800(10) -0.2480(6) 0.097(6) Uani 1 1 d . . . . .
H44 H 1.055264 0.286129 -0.266484 0.116 Uiso 1 1 calc R . . . .
C45 C 1.0464(6) 0.2419(10) -0.2134(5) 0.086(5) Uani 1 1 d . . . . .
H45 H 1.084068 0.221926 -0.208618 0.103 Uiso 1 1 calc R . . . .
C46 C 1.0060(5) 0.2344(8) -0.1863(4) 0.073(4) Uani 1 1 d . . . . .
H46 H 1.015565 0.209338 -0.162741 0.087 Uiso 1 1 calc R . . . .
C47 C 0.9502(5) 0.2662(6) -0.1958(4) 0.054(3) Uani 1 1 d . . . . .
C48 C 0.9055(4) 0.2639(6) -0.1682(3) 0.048(3) Uani 1 1 d . . . . .
C49 C 0.8556(4) 0.2523(6) -0.1205(3) 0.046(3) Uani 1 1 d . . . . .
C50 C 0.8413(4) 0.2224(5) -0.0836(3) 0.041(2) Uani 1 1 d . . . . .
C51 C 0.8542(5) 0.1579(5) -0.0332(3) 0.046(3) Uani 1 1 d . . . . .
C52 C 0.8780(5) 0.1135(7) 0.0004(4) 0.063(3) Uani 1 1 d . . . . .
C53 C 0.9301(8) 0.0767(10) 0.0012(6) 0.105(7) Uani 1 1 d . . . . .
H53 H 0.950670 0.076072 -0.020827 0.127 Uiso 1 1 calc R . . . .
C54 C 0.9511(10) 0.0401(12) 0.0367(5) 0.135(10) Uani 1 1 d . . . . .
H54 H 0.987421 0.017315 0.039026 0.162 Uiso 1 1 calc R . . . .
C55 C 0.9172(10) 0.0381(12) 0.0683(5) 0.131(9) Uani 1 1 d . . . . .
H55 H 0.928127 0.011158 0.090935 0.157 Uiso 1 1 calc R . . . .
C56 C 0.8650(7) 0.0794(8) 0.0642(5) 0.084(5) Uani 1 1 d . . . . .
H56 H 0.842973 0.080276 0.085526 0.100 Uiso 1 1 calc R . . . .
C57 C 0.7462(6) 0.1403(8) 0.1107(5) 0.071(4) Uani 1 1 d . . . . .
H57 H 0.736700 0.097268 0.100502 0.086 Uiso 1 1 calc R . . . .
C58 C 0.7436(7) 0.1519(8) 0.1502(5) 0.077(4) Uani 1 1 d . . . . .
H58 H 0.733060 0.117041 0.166409 0.092 Uiso 1 1 calc R . . . .
C59 C 0.7562(8) 0.2142(10) 0.1662(5) 0.095(5) Uani 1 1 d . . . . .
H59 H 0.755693 0.221680 0.193512 0.114 Uiso 1 1 calc R . . . .
C60 C 0.7698(7) 0.2663(9) 0.1418(4) 0.077(4) Uani 1 1 d . . . . .
H60 H 0.776355 0.309908 0.151902 0.093 Uiso 1 1 calc R . . . .
C61 C 0.7735(5) 0.2512(7) 0.1012(4) 0.061(3) Uani 1 1 d . . . . .
C62 C 0.7860(5) 0.3001(7) 0.0705(4) 0.055(3) Uani 1 1 d . . . . .
C63 C 0.7997(5) 0.3872(6) 0.0381(4) 0.053(3) Uani 1 1 d . . . . .
C64 C 0.8129(5) 0.4592(6) 0.0325(4) 0.049(3) Uani 1 1 d . . . . .
C65 C 0.8337(5) 0.5597(6) 0.0522(4) 0.054(3) Uani 1 1 d . . . . .
C66 C 0.8398(5) 0.6239(7) 0.0730(5) 0.065(4) Uani 1 1 d . . . . .
C67 C 0.8410(6) 0.6278(7) 0.1145(4) 0.069(4) Uani 1 1 d . . . . .
H67 H 0.840055 0.588644 0.129738 0.083 Uiso 1 1 calc R . . . .
C68 C 0.8436(10) 0.6910(11) 0.1330(6) 0.108(6) Uani 1 1 d . . . . .
H68 H 0.846247 0.695125 0.160828 0.130 Uiso 1 1 calc R . . . .
C69 C 0.8420(8) 0.7479(9) 0.1082(6) 0.099(6) Uani 1 1 d . . . . .
H69 H 0.841276 0.791192 0.119012 0.119 Uiso 1 1 calc R . . . .
C70 C 0.8414(7) 0.7383(7) 0.0661(5) 0.084(5) Uani 1 1 d . . . . .
H70 H 0.841362 0.776143 0.049590 0.101 Uiso 1 1 calc R . . . .
C71 C 0.7228(7) 0.0206(8) 0.0221(5) 0.080(4) Uani 1 1 d . . . . .
H71 H 0.761813 0.009156 0.033052 0.096 Uiso 1 1 calc R . . . .
C72 C 0.6813(8) -0.0308(7) 0.0149(6) 0.093(5) Uani 1 1 d . . . . .
H72 H 0.692318 -0.075260 0.021235 0.112 Uiso 1 1 calc R . . . .
C73 C 0.6237(8) -0.0157(7) -0.0018(6) 0.090(5) Uani 1 1 d . . . . .
H73 H 0.595132 -0.049742 -0.006569 0.108 Uiso 1 1 calc R . . . .
C74 C 0.6089(6) 0.0490(7) -0.0112(5) 0.070(4) Uani 1 1 d . . . . .
H74 H 0.570065 0.060221 -0.022455 0.084 Uiso 1 1 calc R . . . .
C75 C 0.6526(5) 0.0987(6) -0.0038(4) 0.052(3) Uani 1 1 d . . . . .
C76 C 0.6445(4) 0.1685(5) -0.0165(3) 0.041(2) Uani 1 1 d . . . . .
C77 C 0.6129(4) 0.2611(5) -0.0406(3) 0.040(2) Uani 1 1 d . . . . .
C78 C 0.5675(4) 0.3110(5) -0.0592(3) 0.037(2) Uani 1 1 d . . . . .
C79 C 0.4825(4) 0.3550(6) -0.0715(3) 0.045(2) Uani 1 1 d . . . . .
C80 C 0.4214(4) 0.3805(6) -0.0718(4) 0.050(3) Uani 1 1 d . . . . .
C81 C 0.3825(5) 0.3588(8) -0.0472(4) 0.071(4) Uani 1 1 d . . . . .
H81 H 0.391942 0.322483 -0.029807 0.085 Uiso 1 1 calc R . . . .
C82 C 0.3290(6) 0.3919(9) -0.0489(5) 0.079(4) Uani 1 1 d . . . . .
H82 H 0.302849 0.379856 -0.031114 0.095 Uiso 1 1 calc R . . . .
C83 C 0.3139(6) 0.4407(9) -0.0754(5) 0.078(4) Uani 1 1 d . . . . .
H83 H 0.276483 0.461073 -0.077552 0.093 Uiso 1 1 calc R . . . .
C84 C 0.3539(5) 0.4604(7) -0.0992(4) 0.066(3) Uani 1 1 d . . . . .
H84 H 0.344168 0.497208 -0.116182 0.079 Uiso 1 1 calc R . . . .
C85 C 0.6803(7) 0.2681(7) -0.1296(5) 0.075(4) Uani 1 1 d . . . . .
H85A H 0.696649 0.232367 -0.111894 0.112 Uiso 1 1 calc GR . . . .
H85B H 0.692824 0.262349 -0.155534 0.112 Uiso 1 1 calc GR . . . .
H85C H 0.637427 0.266859 -0.132501 0.112 Uiso 1 1 calc GR . . . .
C86 C 0.6639(6) 0.4410(8) -0.0174(5) 0.081(4) Uani 1 1 d . . . . .
H86A H 0.655055 0.399731 -0.004373 0.121 Uiso 1 1 calc GR . . . .
H86B H 0.627215 0.464022 -0.027312 0.121 Uiso 1 1 calc GR . . . .
H86C H 0.688380 0.469378 0.001528 0.121 Uiso 1 1 calc GR . . . .
C87 C 0.8702(7) 0.3938(8) -0.0617(6) 0.089(5) Uani 1 1 d . . . . .
H87A H 0.885163 0.438500 -0.055227 0.134 Uiso 1 1 calc GR . . . .
H87B H 0.890833 0.374433 -0.081980 0.134 Uiso 1 1 calc GR . . . .
H87C H 0.876613 0.366116 -0.037838 0.134 Uiso 1 1 calc GR . . . .
C88 C 0.7061(7) 0.5181(7) -0.1560(5) 0.076(4) Uani 1 1 d . . . . .
H88A H 0.741393 0.544956 -0.156211 0.114 Uiso 1 1 calc GR . . . .
H88B H 0.673874 0.546494 -0.150319 0.114 Uiso 1 1 calc GR . . . .
H88C H 0.695238 0.497007 -0.181855 0.114 Uiso 1 1 calc GR . . . .
C89 C 0.4505(9) 0.8701(12) -0.0705(7) 0.112(6) Uani 1 1 d . U . . .
H89 H 0.435354 0.827332 -0.077811 0.134 Uiso 0.75 1 calc R . P A 1
C90 C 0.4695(14) 0.9849(13) -0.0923(10) 0.184(12) Uani 1 1 d D U . . .
H90A H 0.477378 0.993645 -0.063817 0.276 Uiso 1 1 calc GR . . . .
H90B H 0.442892 1.018921 -0.105209 0.276 Uiso 1 1 calc GR . . . .
H90C H 0.506354 0.985978 -0.103294 0.276 Uiso 1 1 calc GR . . . .
C91 C 0.4142(11) 0.9056(15) -0.1408(6) 0.154(9) Uani 1 1 d D U . . .
H91A H 0.442050 0.915044 -0.159064 0.231 Uiso 1 1 calc GR . . . .
H91B H 0.379355 0.933496 -0.147404 0.231 Uiso 1 1 calc GR . . . .
H91C H 0.402764 0.858827 -0.142940 0.231 Uiso 1 1 calc GR . . . .
Cd6 Cd 0.97241(16) 0.6155(2) -0.15851(12) 0.0716(9) Uani 0.5 1 d . . P B 1
Co11 Co 0.71678(19) 0.43103(16) 0.31611(9) 0.0829(9) Uani 0.75 1 d . . P C 1
Cl4 Cl 0.5730(4) 0.2422(6) -0.3604(3) 0.104(3) Uani 0.5 1 d . . P D 1
Cl7 Cl 0.7677(4) -0.0692(5) -0.1642(4) 0.123(4) Uani 0.5 1 d . . P E 1
Cl14 Cl 0.9550(5) 0.5021(6) 0.1227(4) 0.104(4) Uani 0.5 1 d . . P F 1
Cl20 Cl 0.6141(8) 0.4342(10) 0.3398(6) 0.267(8) Uani 0.75 1 d . U P C 1
Cl18 Cl 0.7803(8) 0.4580(8) 0.3756(3) 0.221(6) Uani 0.75 1 d . U P C 1
Cl19 Cl 0.7102(4) 0.3138(5) 0.2899(3) 0.106(2) Uani 0.75 1 d . . P C 1
O5 O 0.4765(5) 0.8779(6) -0.0356(3) 0.084(3) Uani 1 1 d . U . G 1
O6 O 0.8310(17) 0.1126(16) -0.1514(11) 0.075(11) Uani 0.25 1 d D . P H 1
O7 O 0.9248(15) 0.1019(18) -0.1763(10) 0.053(9) Uani 0.25 1 d D . P H 1
N50 N 0.7683(12) 0.0904(17) -0.2088(9) 0.038(7) Uani 0.25 1 d D U P H 1
N51 N 0.9679(17) 0.062(2) -0.2321(12) 0.053(10) Uani 0.25 1 d D U P H 1
C92 C 0.8218(16) 0.092(4) -0.1881(13) 0.10(2) Uani 0.25 1 d D U P H 1
H92 H 0.854050 0.076973 -0.200144 0.121 Uiso 0.25 1 calc R . P H 1
C93 C 0.764(4) 0.051(4) -0.244(2) 0.11(2) Uani 0.25 1 d . U P H 1
H93A H 0.723275 0.035110 -0.250227 0.165 Uiso 0.25 1 calc GR . P H 1
H93B H 0.790554 0.013838 -0.239227 0.165 Uiso 0.25 1 calc GR . P H 1
H93C H 0.773478 0.078597 -0.265435 0.165 Uiso 0.25 1 calc GR . P H 1
C94 C 0.728(2) 0.138(4) -0.201(2) 0.10(2) Uani 0.25 1 d D U P H 1
H94A H 0.732415 0.177385 -0.216657 0.146 Uiso 0.25 1 calc GR . P H 1
H94B H 0.735745 0.149147 -0.172642 0.146 Uiso 0.25 1 calc GR . P H 1
H94C H 0.688490 0.120044 -0.207412 0.146 Uiso 0.25 1 calc GR . P H 1
C95 C 0.968(2) 0.075(3) -0.1906(18) 0.069(15) Uani 0.25 1 d D U P H 1
H95 H 1.002053 0.062090 -0.172769 0.082 Uiso 0.25 1 calc R . P H 1
C96 C 1.015(4) 0.036(6) -0.253(3) 0.14(3) Uani 0.25 1 d D U P H 1
C97 C 0.928(2) 0.106(3) -0.2579(15) 0.072(15) Uani 0.25 1 d D U P H 1
H97A H 0.949710 0.144239 -0.265930 0.108 Uiso 0.25 1 calc GR . P H 1
H97B H 0.896745 0.121856 -0.243545 0.108 Uiso 0.25 1 calc GR . P H 1
H97C H 0.910371 0.081580 -0.281458 0.108 Uiso 0.25 1 calc GR . P H 1
Cd6' Cd 0.97997(14) 0.58936(13) -0.16814(10) 0.0480(7) Uani 0.5 1 d . . P B 2
Co12 Co 0.7552(3) 0.4173(3) 0.31330(19) 0.0416(15) Uani 0.25 1 d . . P C 2
Cl21 Cl 0.7075(17) 0.4516(17) 0.3769(10) 0.168(11) Uani 0.25 1 d . U P C 2
Cl23 Cl 0.7416(13) 0.3290(15) 0.2861(10) 0.120(9) Uani 0.25 1 d . U P C 2
Cl4' Cl 0.5931(4) 0.3073(4) -0.3658(2) 0.089(2) Uani 0.5 1 d . . P D 2
Cl15 Cl 0.9551(4) 0.4912(5) 0.1487(4) 0.096(3) Uani 0.5 1 d . . P F 2
O7' O 0.9574(17) 0.0996(16) -0.1741(9) 0.039(7) Uani 0.25 1 d D U P H 2
N52 N 1.016(3) 0.065(4) -0.216(2) 0.12(2) Uani 0.25 1 d D U P H 2
C95' C 1.007(3) 0.071(4) -0.176(3) 0.13(3) Uani 0.25 1 d D U P H 2
H95' H 1.033878 0.055143 -0.153935 0.151 Uiso 0.25 1 calc R . P H 2
C96' C 1.063(7) 0.014(8) -0.210(6) 0.26(8) Uani 0.25 1 d D U P H 2
C97' C 0.970(4) 0.084(6) -0.249(3) 0.13(4) Uani 0.25 1 d D U P H 2
Cl25 Cl 0.7878(8) 0.0361(10) -0.1418(5) 0.183(6) Uani 0.5 1 d . U P I 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 Cl8 2.403(4) . ?
Cd1 Cl9 2.589(3) . ?
Cd1 Cl10 2.543(3) . ?
Cd1 N2 2.340(9) . ?
Cd1 N5 2.332(9) . ?
Cd2 Cl9 2.558(3) . ?
Cd2 Cl10 2.661(4) . ?
Cd2 Cl11 2.371(12) . ?
Cd2 N42 2.385(9) 3_665 ?
Cd2 N45 2.328(9) 3_665 ?
Cd2 O5 2.284(11) . ?
Cd3 Cl5 2.421(4) . ?
Cd3 Cl6 2.553(5) . ?
Cd3 N26 2.334(10) . ?
Cd3 N29 2.331(9) . ?
Cd3 O6 2.58(3) . ?
Cd3 O7 2.23(3) . ?
Cd3 O7' 2.31(3) . ?
Cd4 Cl1 2.651(8) . ?
Cd4 Cl2 2.292(12) . ?
Cd4 Cl3 2.514(5) . ?
Cd4 N10 2.348(10) . ?
Cd4 N13 2.348(10) . ?
Cd4 Cl4 2.642(10) . ?
Cd4 Cl4' 2.634(8) . ?
Cd5 Cl12 2.562(4) . ?
Cd5 Cl13 2.443(5) . ?
Cd5 N34 2.362(10) . ?
Cd5 N37 2.351(11) . ?
Cd5 Cl14 2.619(10) . ?
Cd5 Cl15 2.516(9) . ?
Co1 O1 2.105(6) . ?
Co1 O2 2.085(7) . ?
Co1 O4 2.089(7) . ?
Co1 N6 2.249(8) . ?
Co1 N12 2.254(8) . ?
Co1 N44 2.200(8) . ?
Co2 O2 2.101(7) . ?
Co2 O3 2.078(7) . ?
Co2 O4 2.132(7) . ?
Co2 N4 2.201(9) . ?
Co2 N22 2.248(9) . ?
Co2 N38 2.273(9) . ?
Co3 O1 2.105(7) . ?
Co3 O3 2.116(7) . ?
Co3 O4 2.085(7) . ?
Co3 N14 2.259(9) . ?
Co3 N20 2.235(9) . ?
Co3 N28 2.191(8) . ?
Co4 O1 2.086(7) . ?
Co4 O2 2.128(7) . ?
Co4 O3 2.119(7) . ?
Co4 N30 2.217(8) . ?
Co4 N36 2.189(9) . ?
Co4 N46 2.245(8) . ?
Co5 N7 2.052(9) . ?
Co5 N8 2.173(9) . ?
Co5 N9 2.224(10) . ?
Co5 N11 2.077(9) . ?
Co5 N41 2.223(11) . ?
Co5 N43 2.058(9) . ?
Co6 N1 2.212(10) . ?
Co6 N3 2.065(9) . ?
Co6 N23 2.060(10) . ?
Co6 N24 2.197(11) . ?
Co6 N39 2.054(11) . ?
Co6 N40 2.214(11) . ?
Co7 N15 2.042(10) . ?
Co7 N16 2.173(10) . ?
Co7 N17 2.180(10) . ?
Co7 N19 2.061(10) . ?
Co7 N25 2.266(11) . ?
Co7 N27 2.075(10) . ?
Co8 N31 2.055(9) . ?
Co8 N32 2.185(9) . ?
Co8 N33 2.190(11) . ?
Co8 N35 2.075(10) . ?
Co8 N47 2.045(8) . ?
Co8 N48 2.227(11) . ?
Co9 Cl1 2.411(11) 2_644 ?
Co9 Cl6 2.308(6) . ?
Co9 Cl7 2.324(10) . ?
Co9 Cl4' 2.505(9) 2_644 ?
Co10 Cl13 2.527(7) . ?
Co10 Cl16 2.52(2) . ?
Co10 Cl17 2.678(9) . ?
Cl22 Co12 2.69(3) . ?
Cl3 Cd6 2.444(7) 2_644 ?
Cl3 Cd6' 2.564(6) 2_644 ?
Cl12 Cd6 2.567(5) 3_765 ?
Cl12 Cd6' 2.706(5) 3_765 ?
Cl17 Co11 2.381(7) . ?
Cl17 Co12 2.612(10) . ?
Cl24 Cd6 2.84(3) . ?
Cl24 Cd6' 2.26(3) . ?
Cl24 Cl15 2.41(3) 3_765 ?
O1 C85 1.454(15) . ?
O2 C86 1.494(17) . ?
O3 C87 1.498(17) . ?
O4 C88 1.412(16) . ?
N1 C1 1.329(16) . ?
N1 C5 1.368(15) . ?
N2 C6 1.324(13) . ?
N2 C7 1.341(13) . ?
N3 N4 1.379(12) . ?
N3 C6 1.315(14) . ?
N4 C7 1.325(13) . ?
N5 C8 1.356(13) . ?
N5 C9 1.330(14) . ?
N6 N7 1.372(11) . ?
N6 C8 1.329(13) . ?
N7 C9 1.324(13) . ?
N8 C10 1.368(16) . ?
N8 C14 1.380(14) . ?
N9 C15 1.345(16) . ?
N9 C19 1.383(16) . ?
N10 C20 1.341(14) . ?
N10 C21 1.384(13) . ?
N11 N12 1.377(11) . ?
N11 C20 1.318(14) . ?
N12 C21 1.318(14) . ?
N13 C22 1.339(14) . ?
N13 C23 1.328(14) . ?
N14 N15 1.372(13) . ?
N14 C22 1.354(13) . ?
N15 C23 1.314(15) . ?
N16 C24 1.303(15) . ?
N16 C28 1.311(16) . ?
N17 C29 1.288(18) . ?
N17 C33 1.344(19) . ?
N18 C34 1.351(17) . ?
N18 C35 1.350(15) . ?
N18 Cd6 2.528(11) . ?
N18 Cd6' 2.287(11) . ?
N19 N20 1.358(13) . ?
N19 C34 1.290(15) . ?
N20 C35 1.327(14) . ?
N21 C36 1.380(14) . ?
N21 C37 1.367(18) . ?
N21 Cd6 2.196(12) . ?
N21 Cd6' 2.518(13) . ?
N22 N23 1.380(13) . ?
N22 C36 1.312(14) . ?
N23 C37 1.322(15) . ?
N24 C38 1.37(2) . ?
N24 C42 1.348(18) . ?
N25 C43 1.347(16) . ?
N25 C47 1.312(16) . ?
N26 C48 1.355(15) . ?
N26 C49 1.363(13) . ?
N27 N28 1.368(12) . ?
N27 C48 1.302(14) . ?
N28 C49 1.329(14) . ?
N29 C50 1.344(14) . ?
N29 C51 1.332(14) . ?
N30 N31 1.382(12) . ?
N30 C50 1.353(13) . ?
N31 C51 1.326(13) . ?
N32 C52 1.378(16) . ?
N32 C56 1.308(16) . ?
N33 C57 1.350(17) . ?
N33 C61 1.371(17) . ?
N34 C62 1.355(16) . ?
N34 C63 1.329(16) . ?
N35 N36 1.384(13) . ?
N35 C62 1.306(15) . ?
N36 C63 1.334(15) . ?
N37 C64 1.340(15) . ?
N37 C65 1.354(16) . ?
N38 N39 1.378(12) . ?
N38 C64 1.347(15) . ?
N39 C65 1.323(16) . ?
N40 C66 1.321(18) . ?
N40 C70 1.324(17) . ?
N41 C80 1.362(15) . ?
N41 C84 1.337(14) . ?
N42 C78 1.363(12) . ?
N42 C79 1.338(14) . ?
N43 N44 1.383(11) . ?
N43 C79 1.304(13) . ?
N44 C78 1.312(13) . ?
N45 C76 1.360(13) . ?
N45 C77 1.336(13) . ?
N46 N47 1.389(12) . ?
N46 C77 1.298(12) . ?
N47 C76 1.297(13) . ?
N48 C71 1.346(17) . ?
N48 C75 1.375(15) . ?
N49 C89 1.37(2) . ?
N49 C90 1.424(17) . ?
N49 C91 1.472(16) . ?
C1 H1 0.9300 . ?
C1 C2 1.39(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.34(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.371(19) . ?
C4 H4 0.9300 . ?
C4 C5 1.365(17) . ?
C5 C6 1.480(15) . ?
C7 C8 1.462(15) . ?
C9 C10 1.466(15) . ?
C10 C11 1.374(17) . ?
C11 H11 0.9300 . ?
C11 C12 1.386(17) . ?
C12 H12 0.9300 . ?
C12 C13 1.41(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.34(2) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.36(2) . ?
C16 H16 0.9300 . ?
C16 C17 1.41(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.38(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.330(19) . ?
C19 C20 1.453(15) . ?
C21 C22 1.466(14) . ?
C23 C24 1.494(17) . ?
C24 C25 1.374(19) . ?
C25 H25 0.9300 . ?
C25 C26 1.40(2) . ?
C26 H26 0.9300 . ?
C26 C27 1.34(2) . ?
C27 H27 0.9300 . ?
C27 C28 1.49(2) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C29 C30 1.45(3) . ?
C30 H30 0.9300 . ?
C30 C31 1.32(3) . ?
C31 H31 0.9300 . ?
C31 C32 1.36(3) . ?
C32 H32 0.9300 . ?
C32 C33 1.34(2) . ?
C33 C34 1.541(19) . ?
C35 C36 1.445(17) . ?
C37 C38 1.426(18) . ?
C38 C39 1.394(19) . ?
C39 H39 0.9300 . ?
C39 C40 1.34(2) . ?
C40 H40 0.9300 . ?
C40 C41 1.38(3) . ?
C41 H41 0.9300 . ?
C41 C42 1.41(2) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C43 C44 1.36(2) . ?
C44 H44 0.9300 . ?
C44 C45 1.39(2) . ?
C45 H45 0.9300 . ?
C45 C46 1.39(2) . ?
C46 H46 0.9300 . ?
C46 C47 1.403(17) . ?
C47 C48 1.467(15) . ?
C49 C50 1.450(15) . ?
C51 C52 1.465(16) . ?
C52 C53 1.379(18) . ?
C53 H53 0.9300 . ?
C53 C54 1.41(2) . ?
C54 H54 0.9300 . ?
C54 C55 1.40(3) . ?
C55 H55 0.9300 . ?
C55 C56 1.42(2) . ?
C56 H56 0.9300 . ?
C57 H57 0.9300 . ?
C57 C58 1.35(2) . ?
C58 H58 0.9300 . ?
C58 C59 1.36(2) . ?
C59 H59 0.9300 . ?
C59 C60 1.38(2) . ?
C60 H60 0.9300 . ?
C60 C61 1.41(2) . ?
C61 C62 1.467(18) . ?
C63 C64 1.472(16) . ?
C65 C66 1.444(18) . ?
C66 C67 1.39(2) . ?
C67 H67 0.9300 . ?
C67 C68 1.39(2) . ?
C68 H68 0.9300 . ?
C68 C69 1.40(3) . ?
C69 H69 0.9300 . ?
C69 C70 1.42(2) . ?
C70 H70 0.9300 . ?
C71 H71 0.9300 . ?
C71 C72 1.38(2) . ?
C72 H72 0.9300 . ?
C72 C73 1.37(2) . ?
C73 H73 0.9300 . ?
C73 C74 1.347(19) . ?
C74 H74 0.9300 . ?
C74 C75 1.388(17) . ?
C75 C76 1.447(14) . ?
C77 C78 1.491(14) . ?
C79 C80 1.470(14) . ?
C80 C81 1.360(17) . ?
C81 H81 0.9300 . ?
C81 C82 1.368(18) . ?
C82 H82 0.9300 . ?
C82 C83 1.32(2) . ?
C83 H83 0.9300 . ?
C83 C84 1.348(19) . ?
C84 H84 0.9300 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C88 H88A 0.9600 . ?
C88 H88B 0.9600 . ?
C88 H88C 0.9600 . ?
C89 H89 0.9300 . ?
C89 O5 1.24(2) . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
Cd6 Cl4 2.814(12) 2_654 ?
Co11 Cl20 2.563(16) . ?
Co11 Cl18 2.338(12) . ?
Co11 Cl19 2.474(10) . ?
O6 C92 1.29(2) . ?
O7 C95 1.28(2) . ?
N50 C92 1.30(2) . ?
N50 C93 1.39(8) . ?
N50 C94 1.35(6) . ?
N51 C95 1.41(7) . ?
N51 C96 1.45(2) . ?
N51 C97 1.44(2) . ?
C92 H92 0.9300 . ?
C93 H93A 0.9600 . ?
C93 H93B 0.9600 . ?
C93 H93C 0.9600 . ?
C94 H94A 0.9600 . ?
C94 H94B 0.9600 . ?
C94 H94C 0.9600 . ?
C95 H95 0.9300 . ?
C97 H97A 0.9600 . ?
C97 H97B 0.9600 . ?
C97 H97C 0.9600 . ?
Cd6' Cl15 2.198(10) 3_765 ?
Co12 Cl21 2.62(3) . ?
Co12 Cl23 1.97(3) . ?
O7' C95' 1.28(2) . ?
N52 C95' 1.37(11) . ?
N52 C96' 1.45(2) . ?
N52 C97' 1.46(2) . ?
C95' H95' 0.9300 . ?

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
Cl8 Cd1 Cl9 109.07(14) . . ?
Cl8 Cd1 Cl10 111.23(14) . . ?
Cl10 Cd1 Cl9 88.26(11) . . ?
N2 Cd1 Cl8 112.6(2) . . ?
N2 Cd1 Cl9 86.7(2) . . ?
N2 Cd1 Cl10 135.1(2) . . ?
N5 Cd1 Cl8 106.5(3) . . ?
N5 Cd1 Cl9 142.7(2) . . ?
N5 Cd1 Cl10 89.0(2) . . ?
N5 Cd1 N2 69.6(3) . . ?
Cl9 Cd2 Cl10 86.40(11) . . ?
Cl11 Cd2 Cl9 87.3(3) . . ?
Cl11 Cd2 Cl10 172.1(3) . . ?
Cl11 Cd2 N42 94.9(4) . 3_665 ?
N42 Cd2 Cl9 111.1(2) 3_665 . ?
N42 Cd2 Cl10 82.9(2) 3_665 . ?
N45 Cd2 Cl9 175.5(2) 3_665 . ?
N45 Cd2 Cl10 97.4(2) 3_665 . ?
N45 Cd2 Cl11 89.1(3) 3_665 . ?
N45 Cd2 N42 71.9(3) 3_665 3_665 ?
O5 Cd2 Cl9 87.3(3) . . ?
O5 Cd2 Cl10 88.6(3) . . ?
O5 Cd2 Cl11 95.9(4) . . ?
O5 Cd2 N42 159.1(3) . 3_665 ?
O5 Cd2 N45 90.4(3) . 3_665 ?
Cl5 Cd3 Cl6 105.88(18) . . ?
Cl5 Cd3 O6 174.7(9) . . ?
Cl6 Cd3 O6 78.8(8) . . ?
N26 Cd3 Cl5 104.7(3) . . ?
N26 Cd3 Cl6 148.3(3) . . ?
N26 Cd3 O6 71.0(8) . . ?
N29 Cd3 Cl5 105.2(3) . . ?
N29 Cd3 Cl6 94.1(3) . . ?
N29 Cd3 N26 69.9(3) . . ?
N29 Cd3 O6 76.6(9) . . ?
O7 Cd3 Cl5 117.3(9) . . ?
O7 Cd3 Cl6 92.9(9) . . ?
O7 Cd3 N26 80.2(10) . . ?
O7 Cd3 N29 133.0(9) . . ?
O7 Cd3 O6 59.4(13) . . ?
O7' Cd3 Cl5 99.1(9) . . ?
O7' Cd3 Cl6 96.5(8) . . ?
O7' Cd3 N26 86.6(9) . . ?
O7' Cd3 N29 149.6(10) . . ?
Cl2 Cd4 Cl1 87.3(5) . . ?
Cl2 Cd4 Cl3 92.5(4) . . ?
Cl2 Cd4 N10 98.0(4) . . ?
Cl2 Cd4 N13 167.8(4) . . ?
Cl2 Cd4 Cl4 81.5(4) . . ?
Cl2 Cd4 Cl4' 86.9(4) . . ?
Cl3 Cd4 Cl1 174.8(3) . . ?
Cl3 Cd4 Cl4 72.1(3) . . ?
Cl3 Cd4 Cl4' 101.8(2) . . ?
N10 Cd4 Cl1 80.0(3) . . ?
N10 Cd4 Cl3 94.9(3) . . ?
N10 Cd4 Cl4 166.9(3) . . ?
N10 Cd4 Cl4' 162.5(3) . . ?
N13 Cd4 Cl1 85.0(4) . . ?
N13 Cd4 Cl3 94.3(3) . . ?
N13 Cd4 N10 71.2(3) . . ?
N13 Cd4 Cl4 110.3(3) . . ?
N13 Cd4 Cl4' 101.7(3) . . ?
Cl4 Cd4 Cl1 113.0(3) . . ?
Cl4' Cd4 Cl1 83.4(3) . . ?
Cl12 Cd5 Cl14 86.9(2) . . ?
Cl13 Cd5 Cl12 119.75(19) . . ?
Cl13 Cd5 Cl14 123.2(4) . . ?
Cl13 Cd5 Cl15 111.2(3) . . ?
N34 Cd5 Cl12 88.2(3) . . ?
N34 Cd5 Cl13 102.8(3) . . ?
N34 Cd5 Cl14 129.1(4) . . ?
N34 Cd5 Cl15 145.7(4) . . ?
N37 Cd5 Cl12 136.1(3) . . ?
N37 Cd5 Cl13 102.1(3) . . ?
N37 Cd5 N34 69.0(3) . . ?
N37 Cd5 Cl14 80.4(3) . . ?
N37 Cd5 Cl15 98.7(4) . . ?
Cl15 Cd5 Cl12 79.1(3) . . ?
O1 Co1 N6 171.1(3) . . ?
O1 Co1 N12 92.4(3) . . ?
O1 Co1 N44 96.7(3) . . ?
O2 Co1 O1 81.8(3) . . ?
O2 Co1 O4 81.4(3) . . ?
O2 Co1 N6 94.1(3) . . ?
O2 Co1 N12 174.1(3) . . ?
O2 Co1 N44 93.1(3) . . ?
O4 Co1 O1 81.3(3) . . ?
O4 Co1 N6 90.2(3) . . ?
O4 Co1 N12 96.8(3) . . ?
O4 Co1 N44 174.4(3) . . ?
N6 Co1 N12 91.5(3) . . ?
N44 Co1 N6 91.4(3) . . ?
N44 Co1 N12 88.6(3) . . ?
O2 Co2 O4 80.1(3) . . ?
O2 Co2 N4 96.0(3) . . ?
O2 Co2 N22 173.5(3) . . ?
O2 Co2 N38 92.0(3) . . ?
O3 Co2 O2 82.5(3) . . ?
O3 Co2 O4 81.4(3) . . ?
O3 Co2 N4 176.0(3) . . ?
O3 Co2 N22 92.3(3) . . ?
O3 Co2 N38 94.1(3) . . ?
O4 Co2 N4 94.7(3) . . ?
O4 Co2 N22 95.3(3) . . ?
O4 Co2 N38 171.3(3) . . ?
N4 Co2 N22 89.0(3) . . ?
N4 Co2 N38 89.7(3) . . ?
N22 Co2 N38 92.3(3) . . ?
O1 Co3 O3 81.7(3) . . ?
O1 Co3 N14 90.3(3) . . ?
O1 Co3 N20 172.7(3) . . ?
O1 Co3 N28 97.6(3) . . ?
O3 Co3 N14 172.0(3) . . ?
O3 Co3 N20 95.7(3) . . ?
O3 Co3 N28 92.3(3) . . ?
O4 Co3 O1 81.5(3) . . ?
O4 Co3 O3 81.6(3) . . ?
O4 Co3 N14 96.2(3) . . ?
O4 Co3 N20 91.4(3) . . ?
O4 Co3 N28 174.0(3) . . ?
N20 Co3 N14 92.1(3) . . ?
N28 Co3 N14 89.7(3) . . ?
N28 Co3 N20 89.3(3) . . ?
O1 Co4 O2 81.2(3) . . ?
O1 Co4 O3 82.0(3) . . ?
O1 Co4 N30 95.0(3) . . ?
O1 Co4 N36 175.7(3) . . ?
O1 Co4 N46 90.5(3) . . ?
O2 Co4 N30 172.0(3) . . ?
O2 Co4 N36 94.4(3) . . ?
O2 Co4 N46 94.9(3) . . ?
O3 Co4 O2 80.9(3) . . ?
O3 Co4 N30 91.6(3) . . ?
O3 Co4 N36 97.2(3) . . ?
O3 Co4 N46 171.9(3) . . ?
N30 Co4 N46 92.1(3) . . ?
N36 Co4 N30 89.3(3) . . ?
N36 Co4 N46 90.0(3) . . ?
N7 Co5 N8 76.5(3) . . ?
N7 Co5 N9 153.6(4) . . ?
N7 Co5 N11 88.0(4) . . ?
N7 Co5 N41 115.8(4) . . ?
N7 Co5 N43 85.7(3) . . ?
N8 Co5 N9 94.3(4) . . ?
N8 Co5 N41 89.4(4) . . ?
N11 Co5 N8 120.5(4) . . ?
N11 Co5 N9 75.3(3) . . ?
N11 Co5 N41 146.4(4) . . ?
N41 Co5 N9 88.4(4) . . ?
N43 Co5 N8 148.3(4) . . ?
N43 Co5 N9 112.1(4) . . ?
N43 Co5 N11 84.3(3) . . ?
N43 Co5 N41 74.8(3) . . ?
N1 Co6 N40 89.8(4) . . ?
N3 Co6 N1 75.8(4) . . ?
N3 Co6 N24 147.8(5) . . ?
N3 Co6 N40 115.8(4) . . ?
N23 Co6 N1 114.1(4) . . ?
N23 Co6 N3 84.4(3) . . ?
N23 Co6 N24 75.2(4) . . ?
N23 Co6 N40 152.6(4) . . ?
N24 Co6 N1 90.0(4) . . ?
N24 Co6 N40 92.5(5) . . ?
N39 Co6 N1 149.5(4) . . ?
N39 Co6 N3 86.1(4) . . ?
N39 Co6 N23 87.7(4) . . ?
N39 Co6 N24 117.1(4) . . ?
N39 Co6 N40 76.1(4) . . ?
N15 Co7 N16 76.4(4) . . ?
N15 Co7 N17 118.4(4) . . ?
N15 Co7 N19 86.7(4) . . ?
N15 Co7 N25 150.7(4) . . ?
N15 Co7 N27 86.2(4) . . ?
N16 Co7 N17 92.6(4) . . ?
N16 Co7 N25 91.6(4) . . ?
N17 Co7 N25 88.3(4) . . ?
N19 Co7 N16 152.8(4) . . ?
N19 Co7 N17 76.8(4) . . ?
N19 Co7 N25 112.7(4) . . ?
N19 Co7 N27 84.6(4) . . ?
N27 Co7 N16 114.8(4) . . ?
N27 Co7 N17 147.6(4) . . ?
N27 Co7 N25 74.6(4) . . ?
N31 Co8 N32 76.7(3) . . ?
N31 Co8 N33 149.6(4) . . ?
N31 Co8 N35 84.6(4) . . ?
N31 Co8 N48 114.5(4) . . ?
N32 Co8 N33 91.3(4) . . ?
N32 Co8 N48 89.2(4) . . ?
N33 Co8 N48 92.8(4) . . ?
N35 Co8 N32 116.7(4) . . ?
N35 Co8 N33 75.9(4) . . ?
N35 Co8 N48 151.5(4) . . ?
N47 Co8 N31 84.9(3) . . ?
N47 Co8 N32 148.7(4) . . ?
N47 Co8 N33 116.2(4) . . ?
N47 Co8 N35 86.0(4) . . ?
N47 Co8 N48 75.6(3) . . ?
Cl1 Co9 Cl4' 91.3(3) 2_644 2_644 ?
Cl6 Co9 Cl1 110.3(3) . 2_644 ?
Cl6 Co9 Cl7 114.1(3) . . ?
Cl6 Co9 Cl4' 114.1(3) . 2_644 ?
Cl7 Co9 Cl1 113.6(4) . 2_644 ?
Cl7 Co9 Cl4' 111.4(4) . 2_644 ?
Cl13 Co10 Cl17 101.3(2) . . ?
Cl16 Co10 Cl13 120.4(6) . . ?
Cl16 Co10 Cl17 89.7(5) . . ?
Co9 Cl1 Cd4 90.6(3) 2_654 . ?
Cd4 Cl3 Cd6' 127.8(2) . 2_644 ?
Cd6 Cl3 Cd4 113.8(2) 2_644 . ?
Cd6 Cl3 Cd6' 14.56(8) 2_644 2_644 ?
Co9 Cl6 Cd3 120.7(3) . . ?
Cd2 Cl9 Cd1 92.30(10) . . ?
Cd1 Cl10 Cd2 90.98(11) . . ?
Cd5 Cl12 Cd6 102.20(18) . 3_765 ?
Cd5 Cl12 Cd6' 92.08(16) . 3_765 ?
Cd6 Cl12 Cd6' 13.74(8) 3_765 3_765 ?
Cd5 Cl13 Co10 117.6(2) . . ?
Co11 Cl17 Co10 106.5(3) . . ?
Co12 Cl17 Co10 85.8(3) . . ?
Cd6' Cl24 Cl15 56.0(7) . 3_765 ?
Co3 O1 Co1 97.4(3) . . ?
Co4 O1 Co1 98.2(3) . . ?
Co4 O1 Co3 98.2(3) . . ?
C85 O1 Co1 122.8(7) . . ?
C85 O1 Co3 118.7(7) . . ?
C85 O1 Co4 116.6(7) . . ?
Co1 O2 Co2 99.3(3) . . ?
Co1 O2 Co4 97.5(3) . . ?
Co2 O2 Co4 97.1(3) . . ?
C86 O2 Co1 116.6(7) . . ?
C86 O2 Co2 121.4(7) . . ?
C86 O2 Co4 120.2(7) . . ?
Co2 O3 Co3 98.2(3) . . ?
Co2 O3 Co4 98.1(3) . . ?
Co3 O3 Co4 96.8(3) . . ?
C87 O3 Co2 114.9(7) . . ?
C87 O3 Co3 123.7(8) . . ?
C87 O3 Co4 120.0(8) . . ?
Co1 O4 Co2 98.2(3) . . ?
Co3 O4 Co1 98.6(3) . . ?
Co3 O4 Co2 97.5(3) . . ?
C88 O4 Co1 118.4(7) . . ?
C88 O4 Co2 122.3(7) . . ?
C88 O4 Co3 117.2(7) . . ?
C1 N1 Co6 129.9(10) . . ?
C1 N1 C5 116.1(11) . . ?
C5 N1 Co6 113.9(7) . . ?
C6 N2 Cd1 138.7(7) . . ?
C6 N2 C7 103.2(9) . . ?
C7 N2 Cd1 115.6(6) . . ?
N4 N3 Co6 135.2(7) . . ?
C6 N3 Co6 117.8(7) . . ?
C6 N3 N4 106.5(8) . . ?
N3 N4 Co2 115.4(6) . . ?
C7 N4 Co2 137.1(7) . . ?
C7 N4 N3 104.6(8) . . ?
C8 N5 Cd1 115.8(7) . . ?
C9 N5 Cd1 138.3(7) . . ?
C9 N5 C8 102.6(9) . . ?
N7 N6 Co1 113.6(6) . . ?
C8 N6 Co1 139.2(7) . . ?
C8 N6 N7 105.4(8) . . ?
N6 N7 Co5 135.9(6) . . ?
C9 N7 Co5 116.6(7) . . ?
C9 N7 N6 106.4(8) . . ?
C10 N8 Co5 114.0(7) . . ?
C10 N8 C14 117.5(10) . . ?
C14 N8 Co5 128.5(9) . . ?
C15 N9 Co5 127.9(10) . . ?
C15 N9 C19 116.7(11) . . ?
C19 N9 Co5 114.5(7) . . ?
C20 N10 Cd4 140.8(8) . . ?
C20 N10 C21 101.2(9) . . ?
C21 N10 Cd4 114.7(7) . . ?
N12 N11 Co5 133.6(7) . . ?
C20 N11 Co5 118.0(7) . . ?
C20 N11 N12 108.3(9) . . ?
N11 N12 Co1 113.7(6) . . ?
C21 N12 Co1 135.4(7) . . ?
C21 N12 N11 103.9(8) . . ?
C22 N13 Cd4 114.2(7) . . ?
C23 N13 Cd4 140.5(8) . . ?
C23 N13 C22 103.3(9) . . ?
N15 N14 Co3 112.7(6) . . ?
C22 N14 Co3 138.3(7) . . ?
C22 N14 N15 103.9(8) . . ?
N14 N15 Co7 135.1(7) . . ?
C23 N15 Co7 117.0(8) . . ?
C23 N15 N14 107.4(9) . . ?
C24 N16 Co7 115.0(8) . . ?
C24 N16 C28 119.8(11) . . ?
C28 N16 Co7 125.1(9) . . ?
C29 N17 Co7 131.1(11) . . ?
C29 N17 C33 115.1(12) . . ?
C33 N17 Co7 113.4(9) . . ?
C34 N18 Cd6 145.4(8) . . ?
C34 N18 Cd6' 132.3(8) . . ?
C35 N18 C34 101.0(9) . . ?
C35 N18 Cd6 109.9(8) . . ?
C35 N18 Cd6' 117.5(8) . . ?
N20 N19 Co7 132.1(7) . . ?
C34 N19 Co7 113.4(8) . . ?
C34 N19 N20 108.1(10) . . ?
N19 N20 Co3 114.1(7) . . ?
C35 N20 Co3 141.1(8) . . ?
C35 N20 N19 104.2(9) . . ?
C36 N21 Cd6 121.2(10) . . ?
C36 N21 Cd6' 111.8(9) . . ?
C37 N21 C36 101.8(10) . . ?
C37 N21 Cd6 134.2(8) . . ?
C37 N21 Cd6' 146.0(8) . . ?
N23 N22 Co2 113.6(7) . . ?
C36 N22 Co2 139.6(7) . . ?
C36 N22 N23 105.7(8) . . ?
N22 N23 Co6 135.7(7) . . ?
C37 N23 Co6 114.7(8) . . ?
C37 N23 N22 107.5(10) . . ?
C38 N24 Co6 113.9(8) . . ?
C42 N24 Co6 125.0(12) . . ?
C42 N24 C38 120.9(13) . . ?
C43 N25 Co7 127.8(10) . . ?
C47 N25 Co7 113.0(8) . . ?
C47 N25 C43 119.1(12) . . ?
C48 N26 Cd3 136.6(7) . . ?
C48 N26 C49 101.2(9) . . ?
C49 N26 Cd3 114.9(7) . . ?
N28 N27 Co7 132.4(7) . . ?
C48 N27 Co7 117.7(8) . . ?
C48 N27 N28 108.5(9) . . ?
N27 N28 Co3 114.0(7) . . ?
C49 N28 Co3 135.9(8) . . ?
C49 N28 N27 103.8(8) . . ?
C50 N29 Cd3 115.7(7) . . ?
C51 N29 Cd3 140.1(7) . . ?
C51 N29 C50 103.4(9) . . ?
N31 N30 Co4 115.7(6) . . ?
C50 N30 Co4 138.8(7) . . ?
C50 N30 N31 103.4(8) . . ?
N30 N31 Co8 134.9(6) . . ?
C51 N31 Co8 117.0(7) . . ?
C51 N31 N30 107.7(9) . . ?
C52 N32 Co8 113.3(7) . . ?
C56 N32 Co8 128.7(9) . . ?
C56 N32 C52 117.9(10) . . ?
C57 N33 Co8 128.7(10) . . ?
C57 N33 C61 116.4(12) . . ?
C61 N33 Co8 114.8(8) . . ?
C62 N34 Cd5 137.6(8) . . ?
C63 N34 Cd5 115.3(8) . . ?
C63 N34 C62 101.8(10) . . ?
N36 N35 Co8 135.9(8) . . ?
C62 N35 Co8 116.9(8) . . ?
C62 N35 N36 106.8(10) . . ?
N35 N36 Co4 113.6(6) . . ?
C63 N36 Co4 138.0(7) . . ?
C63 N36 N35 104.0(9) . . ?
C64 N37 Cd5 115.7(8) . . ?
C64 N37 C65 104.0(10) . . ?
C65 N37 Cd5 137.8(8) . . ?
N39 N38 Co2 115.6(7) . . ?
C64 N38 Co2 138.9(7) . . ?
C64 N38 N39 103.0(9) . . ?
N38 N39 Co6 134.0(9) . . ?
C65 N39 Co6 116.1(8) . . ?
C65 N39 N38 109.5(10) . . ?
C66 N40 Co6 112.7(8) . . ?
C66 N40 C70 118.6(13) . . ?
C70 N40 Co6 128.6(11) . . ?
C80 N41 Co5 113.0(7) . . ?
C84 N41 Co5 130.8(9) . . ?
C84 N41 C80 116.1(11) . . ?
C78 N42 Cd2 113.3(6) . 3_665 ?
C79 N42 Cd2 144.5(7) . 3_665 ?
C79 N42 C78 101.5(8) . . ?
N44 N43 Co5 132.9(6) . . ?
C79 N43 Co5 116.9(7) . . ?
C79 N43 N44 107.5(9) . . ?
N43 N44 Co1 115.7(6) . . ?
C78 N44 Co1 139.5(6) . . ?
C78 N44 N43 104.0(7) . . ?
C76 N45 Cd2 135.2(7) . 3_665 ?
C77 N45 Cd2 113.2(6) . 3_665 ?
C77 N45 C76 101.2(8) . . ?
N47 N46 Co4 113.4(5) . . ?
C77 N46 Co4 141.9(7) . . ?
C77 N46 N47 103.2(8) . . ?
N46 N47 Co8 132.9(6) . . ?
C76 N47 Co8 115.4(7) . . ?
C76 N47 N46 107.8(8) . . ?
C71 N48 Co8 132.7(10) . . ?
C71 N48 C75 114.7(12) . . ?
C75 N48 Co8 112.4(7) . . ?
C89 N49 C90 122(2) . . ?
C89 N49 C91 121(2) . . ?
C90 N49 C91 116(2) . . ?
N1 C1 H1 118.2 . . ?
N1 C1 C2 123.7(14) . . ?
C2 C1 H1 118.2 . . ?
C1 C2 H2 121.4 . . ?
C3 C2 C1 117.3(13) . . ?
C3 C2 H2 121.4 . . ?
C2 C3 H3 118.8 . . ?
C2 C3 C4 122.3(13) . . ?
C4 C3 H3 118.8 . . ?
C3 C4 H4 121.6 . . ?
C5 C4 C3 116.9(13) . . ?
C5 C4 H4 121.6 . . ?
N1 C5 C6 113.1(9) . . ?
C4 C5 N1 123.7(11) . . ?
C4 C5 C6 123.2(11) . . ?
N2 C6 C5 129.2(10) . . ?
N3 C6 N2 112.7(9) . . ?
N3 C6 C5 117.3(9) . . ?
N2 C7 C8 117.0(9) . . ?
N4 C7 N2 112.9(9) . . ?
N4 C7 C8 130.0(9) . . ?
N5 C8 C7 116.1(9) . . ?
N6 C8 N5 112.6(9) . . ?
N6 C8 C7 131.3(9) . . ?
N5 C9 C10 129.0(10) . . ?
N7 C9 N5 113.1(9) . . ?
N7 C9 C10 117.5(10) . . ?
N8 C10 C9 113.0(10) . . ?
N8 C10 C11 122.5(11) . . ?
C11 C10 C9 124.5(12) . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.9(13) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 121.5 . . ?
C11 C12 C13 117.0(13) . . ?
C13 C12 H12 121.5 . . ?
C12 C13 H13 119.3 . . ?
C14 C13 C12 121.4(12) . . ?
C14 C13 H13 119.3 . . ?
N8 C14 H14 119.2 . . ?
C13 C14 N8 121.6(13) . . ?
C13 C14 H14 119.2 . . ?
N9 C15 H15 118.3 . . ?
N9 C15 C16 123.3(16) . . ?
C16 C15 H15 118.3 . . ?
C15 C16 H16 120.8 . . ?
C15 C16 C17 118.5(15) . . ?
C17 C16 H16 120.8 . . ?
C16 C17 H17 120.7 . . ?
C18 C17 C16 118.5(15) . . ?
C18 C17 H17 120.7 . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.5(16) . . ?
C19 C18 H18 120.2 . . ?
N9 C19 C20 112.1(10) . . ?
C18 C19 N9 123.4(12) . . ?
C18 C19 C20 124.4(13) . . ?
N10 C20 C19 128.1(10) . . ?
N11 C20 N10 112.6(9) . . ?
N11 C20 C19 119.2(10) . . ?
N10 C21 C22 115.4(10) . . ?
N12 C21 N10 114.0(9) . . ?
N12 C21 C22 130.6(9) . . ?
N13 C22 N14 112.6(9) . . ?
N13 C22 C21 120.2(10) . . ?
N14 C22 C21 127.1(10) . . ?
N13 C23 C24 130.5(11) . . ?
N15 C23 N13 112.7(10) . . ?
N15 C23 C24 116.7(10) . . ?
N16 C24 C23 113.6(11) . . ?
N16 C24 C25 124.7(12) . . ?
C25 C24 C23 121.6(12) . . ?
C24 C25 H25 121.4 . . ?
C24 C25 C26 117.2(15) . . ?
C26 C25 H25 121.4 . . ?
C25 C26 H26 119.6 . . ?
C27 C26 C25 120.8(15) . . ?
C27 C26 H26 119.6 . . ?
C26 C27 H27 121.6 . . ?
C26 C27 C28 116.8(15) . . ?
C28 C27 H27 121.6 . . ?
N16 C28 C27 120.6(13) . . ?
N16 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
N17 C29 H29 116.6 . . ?
N17 C29 C30 126.8(17) . . ?
C30 C29 H29 116.6 . . ?
C29 C30 H30 123.9 . . ?
C31 C30 C29 112(2) . . ?
C31 C30 H30 123.9 . . ?
C30 C31 H31 118.6 . . ?
C30 C31 C32 123(2) . . ?
C32 C31 H31 118.6 . . ?
C31 C32 H32 120.4 . . ?
C33 C32 C31 119(2) . . ?
C33 C32 H32 120.4 . . ?
N17 C33 C34 111.2(12) . . ?
C32 C33 N17 123.1(16) . . ?
C32 C33 C34 125.6(16) . . ?
N18 C34 C33 129.2(11) . . ?
N19 C34 N18 113.1(11) . . ?
N19 C34 C33 117.3(13) . . ?
N18 C35 C36 118.3(10) . . ?
N20 C35 N18 113.7(11) . . ?
N20 C35 C36 128.0(10) . . ?
N21 C36 C35 116.7(11) . . ?
N22 C36 N21 113.1(11) . . ?
N22 C36 C35 130.1(9) . . ?
N21 C37 C38 127.2(12) . . ?
N23 C37 N21 111.9(10) . . ?
N23 C37 C38 120.0(14) . . ?
N24 C38 C37 111.4(12) . . ?
N24 C38 C39 119.3(14) . . ?
C39 C38 C37 129.0(16) . . ?
C38 C39 H39 119.2 . . ?
C40 C39 C38 121.7(19) . . ?
C40 C39 H39 119.2 . . ?
C39 C40 H40 120.9 . . ?
C39 C40 C41 118.2(16) . . ?
C41 C40 H40 120.9 . . ?
C40 C41 H41 119.3 . . ?
C40 C41 C42 121.3(16) . . ?
C42 C41 H41 119.3 . . ?
N24 C42 C41 118.4(18) . . ?
N24 C42 H42 120.8 . . ?
C41 C42 H42 120.8 . . ?
N25 C43 H43 119.4 . . ?
N25 C43 C44 121.1(16) . . ?
C44 C43 H43 119.4 . . ?
C43 C44 H44 119.5 . . ?
C43 C44 C45 121.0(14) . . ?
C45 C44 H44 119.5 . . ?
C44 C45 H45 121.0 . . ?
C46 C45 C44 117.9(14) . . ?
C46 C45 H45 121.0 . . ?
C45 C46 H46 121.3 . . ?
C45 C46 C47 117.5(14) . . ?
C47 C46 H46 121.3 . . ?
N25 C47 C46 123.3(11) . . ?
N25 C47 C48 115.0(10) . . ?
C46 C47 C48 121.6(12) . . ?
N26 C48 C47 129.5(10) . . ?
N27 C48 N26 112.5(9) . . ?
N27 C48 C47 117.8(11) . . ?
N26 C49 C50 115.8(9) . . ?
N28 C49 N26 113.8(10) . . ?
N28 C49 C50 130.3(10) . . ?
N29 C50 N30 113.2(10) . . ?
N29 C50 C49 117.8(9) . . ?
N30 C50 C49 128.8(9) . . ?
N29 C51 C52 129.8(10) . . ?
N31 C51 N29 112.2(9) . . ?
N31 C51 C52 117.5(10) . . ?
N32 C52 C51 113.6(10) . . ?
N32 C52 C53 123.1(12) . . ?
C53 C52 C51 123.1(13) . . ?
C52 C53 H53 121.1 . . ?
C52 C53 C54 117.8(15) . . ?
C54 C53 H53 121.1 . . ?
C53 C54 H54 120.1 . . ?
C55 C54 C53 119.9(15) . . ?
C55 C54 H54 120.1 . . ?
C54 C55 H55 121.6 . . ?
C54 C55 C56 116.8(14) . . ?
C56 C55 H55 121.6 . . ?
N32 C56 C55 124.2(14) . . ?
N32 C56 H56 117.9 . . ?
C55 C56 H56 117.9 . . ?
N33 C57 H57 118.2 . . ?
N33 C57 C58 123.5(14) . . ?
C58 C57 H57 118.2 . . ?
C57 C58 H58 119.9 . . ?
C57 C58 C59 120.2(15) . . ?
C59 C58 H58 119.9 . . ?
C58 C59 H59 120.0 . . ?
C58 C59 C60 119.9(16) . . ?
C60 C59 H59 120.0 . . ?
C59 C60 H60 121.1 . . ?
C59 C60 C61 117.7(16) . . ?
C61 C60 H60 121.1 . . ?
N33 C61 C60 122.2(12) . . ?
N33 C61 C62 112.1(12) . . ?
C60 C61 C62 125.7(13) . . ?
N34 C62 C61 127.6(12) . . ?
N35 C62 N34 113.1(11) . . ?
N35 C62 C61 119.0(12) . . ?
N34 C63 N36 114.3(10) . . ?
N34 C63 C64 116.6(11) . . ?
N36 C63 C64 129.0(11) . . ?
N37 C64 N38 113.5(10) . . ?
N37 C64 C63 116.6(11) . . ?
N38 C64 C63 129.7(10) . . ?
N37 C65 C66 131.1(12) . . ?
N39 C65 N37 110.0(11) . . ?
N39 C65 C66 117.8(12) . . ?
N40 C66 C65 115.3(12) . . ?
N40 C66 C67 123.4(12) . . ?
C67 C66 C65 121.1(14) . . ?
C66 C67 H67 120.4 . . ?
C66 C67 C68 119.3(15) . . ?
C68 C67 H67 120.4 . . ?
C67 C68 H68 121.2 . . ?
C67 C68 C69 117.6(17) . . ?
C69 C68 H68 121.2 . . ?
C68 C69 H69 120.7 . . ?
C68 C69 C70 118.5(15) . . ?
C70 C69 H69 120.7 . . ?
N40 C70 C69 122.4(16) . . ?
N40 C70 H70 118.8 . . ?
C69 C70 H70 118.8 . . ?
N48 C71 H71 118.1 . . ?
N48 C71 C72 123.8(14) . . ?
C72 C71 H71 118.1 . . ?
C71 C72 H72 120.3 . . ?
C73 C72 C71 119.5(13) . . ?
C73 C72 H72 120.3 . . ?
C72 C73 H73 120.4 . . ?
C74 C73 C72 119.3(14) . . ?
C74 C73 H73 120.4 . . ?
C73 C74 H74 120.5 . . ?
C73 C74 C75 119.1(13) . . ?
C75 C74 H74 120.5 . . ?
N48 C75 C74 123.6(11) . . ?
N48 C75 C76 111.8(10) . . ?
C74 C75 C76 124.5(11) . . ?
N45 C76 C75 128.3(9) . . ?
N47 C76 N45 111.9(9) . . ?
N47 C76 C75 119.8(9) . . ?
N45 C77 C78 116.9(9) . . ?
N46 C77 N45 115.7(9) . . ?
N46 C77 C78 127.4(9) . . ?
N42 C78 C77 117.0(8) . . ?
N44 C78 N42 114.0(8) . . ?
N44 C78 C77 129.0(9) . . ?
N42 C79 C80 129.3(10) . . ?
N43 C79 N42 113.0(9) . . ?
N43 C79 C80 117.4(10) . . ?
N41 C80 C79 112.6(10) . . ?
C81 C80 N41 121.9(10) . . ?
C81 C80 C79 125.4(11) . . ?
C80 C81 H81 121.0 . . ?
C80 C81 C82 118.1(13) . . ?
C82 C81 H81 121.0 . . ?
C81 C82 H82 119.5 . . ?
C83 C82 C81 121.0(13) . . ?
C83 C82 H82 119.5 . . ?
C82 C83 H83 120.7 . . ?
C82 C83 C84 118.7(12) . . ?
C84 C83 H83 120.7 . . ?
N41 C84 C83 123.8(13) . . ?
N41 C84 H84 118.1 . . ?
C83 C84 H84 118.1 . . ?
O1 C85 H85A 109.5 . . ?
O1 C85 H85B 109.5 . . ?
O1 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
O2 C86 H86A 109.5 . . ?
O2 C86 H86B 109.5 . . ?
O2 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
O3 C87 H87A 109.5 . . ?
O3 C87 H87B 109.5 . . ?
O3 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
O4 C88 H88A 109.5 . . ?
O4 C88 H88B 109.5 . . ?
O4 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
N49 C89 H89 117.8 . . ?
O5 C89 N49 124(2) . . ?
O5 C89 H89 117.8 . . ?
N49 C90 H90A 109.5 . . ?
N49 C90 H90B 109.5 . . ?
N49 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
N49 C91 H91A 109.5 . . ?
N49 C91 H91B 109.5 . . ?
N49 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
Cl3 Cd6 Cl12 91.6(2) 2_654 3_765 ?
Cl3 Cd6 Cl24 75.5(6) 2_654 . ?
Cl3 Cd6 N18 89.1(3) 2_654 . ?
Cl3 Cd6 Cl4 70.1(3) 2_654 2_654 ?
Cl12 Cd6 Cl24 81.7(6) 3_765 . ?
Cl12 Cd6 Cl4 87.9(3) 3_765 2_654 ?
N18 Cd6 Cl12 156.6(3) . 3_765 ?
N18 Cd6 Cl24 75.9(7) . . ?
N18 Cd6 Cl4 114.2(3) . 2_654 ?
N21 Cd6 Cl3 130.6(4) . 2_654 ?
N21 Cd6 Cl12 124.4(4) . 3_765 ?
N21 Cd6 Cl24 135.8(7) . . ?
N21 Cd6 N18 70.6(4) . . ?
N21 Cd6 Cl4 77.9(4) . 2_654 ?
Cl4 Cd6 Cl24 143.8(6) 2_654 . ?
Cl17 Co11 Cl20 105.6(5) . . ?
Cl17 Co11 Cl19 117.8(3) . . ?
Cl18 Co11 Cl17 110.1(5) . . ?
Cl18 Co11 Cl20 101.5(7) . . ?
Cl18 Co11 Cl19 120.9(4) . . ?
Cl19 Co11 Cl20 97.1(5) . . ?
Cd4 Cl4 Cd6 99.1(3) . 2_644 ?
C89 O5 Cd2 123.9(13) . . ?
C92 O6 Cd3 123(3) . . ?
C95 O7 Cd3 118(4) . . ?
C92 N50 C93 114(4) . . ?
C92 N50 C94 118(4) . . ?
C94 N50 C93 125(5) . . ?
C95 N51 C96 129(5) . . ?
C95 N51 C97 114(4) . . ?
C97 N51 C96 112(6) . . ?
O6 C92 N50 121(4) . . ?
O6 C92 H92 119.3 . . ?
N50 C92 H92 119.3 . . ?
N50 C93 H93A 109.5 . . ?
N50 C93 H93B 109.5 . . ?
N50 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
N50 C94 H94A 109.5 . . ?
N50 C94 H94B 109.5 . . ?
N50 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
O7 C95 N51 123(5) . . ?
O7 C95 H95 118.3 . . ?
N51 C95 H95 118.3 . . ?
N51 C97 H97A 109.5 . . ?
N51 C97 H97B 109.5 . . ?
N51 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
Cl3 Cd6' Cl12 85.91(18) 2_654 3_765 ?
Cl24 Cd6' Cl3 84.5(7) . 2_654 ?
Cl24 Cd6' Cl12 90.5(8) . 3_765 ?
Cl24 Cd6' N18 93.4(8) . . ?
Cl24 Cd6' N21 155.7(8) . . ?
N18 Cd6' Cl3 91.8(3) . 2_654 ?
N18 Cd6' Cl12 175.3(3) . 3_765 ?
N18 Cd6' N21 69.5(4) . . ?
N21 Cd6' Cl3 112.1(3) . 2_654 ?
N21 Cd6' Cl12 107.6(3) . 3_765 ?
Cl15 Cd6' Cl24 65.5(7) 3_765 . ?
Cl15 Cd6' N18 102.2(4) 3_765 . ?
Cl15 Cd6' N21 100.5(5) 3_765 . ?
Cl17 Co12 Cl22 96.6(7) . . ?
Cl17 Co12 Cl21 96.7(9) . . ?
Cl21 Co12 Cl22 132.4(10) . . ?
Cl23 Co12 Cl22 91.2(11) . . ?
Cl23 Co12 Cl17 114.3(9) . . ?
Cl23 Co12 Cl21 123.4(13) . . ?
Co9 Cl4' Cd4 89.0(3) 2_654 . ?
Cl24 Cl15 Cd5 102.4(9) 3_765 . ?
Cd6' Cl15 Cd5 107.0(4) 3_765 . ?
C95' O7' Cd3 116(5) . . ?
C95' N52 C96' 97(9) . . ?
C95' N52 C97' 122(8) . . ?
C96' N52 C97' 134(10) . . ?
O7' C95' N52 110(7) . . ?
O7' C95' H95' 125.1 . . ?
N52 C95' H95' 125.1 . . ?

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
Cd1 N2 C6 N3 158.4(9) . . . . ?
Cd1 N2 C6 C5 -32.6(19) . . . . ?
Cd1 N2 C7 N4 -164.1(7) . . . . ?
Cd1 N2 C7 C8 18.7(12) . . . . ?
Cd1 N5 C8 N6 163.8(7) . . . . ?
Cd1 N5 C8 C7 -18.4(12) . . . . ?
Cd1 N5 C9 N7 -157.6(8) . . . . ?
Cd1 N5 C9 C10 29(2) . . . . ?
Cd2 N42 C78 N44 173.4(7) 3_665 . . . ?
Cd2 N42 C78 C77 -5.5(12) 3_665 . . . ?
Cd2 N42 C79 N43 -167.6(9) 3_665 . . . ?
Cd2 N42 C79 C80 19(2) 3_665 . . . ?
Cd2 N45 C76 N47 -137.4(9) 3_665 . . . ?
Cd2 N45 C76 C75 45.3(17) 3_665 . . . ?
Cd2 N45 C77 N46 149.8(8) 3_665 . . . ?
Cd2 N45 C77 C78 -32.3(12) 3_665 . . . ?
Cd3 N26 C48 N27 145.7(9) . . . . ?
Cd3 N26 C48 C47 -38.5(18) . . . . ?
Cd3 N26 C49 N28 -154.1(8) . . . . ?
Cd3 N26 C49 C50 22.7(12) . . . . ?
Cd3 N29 C50 N30 171.1(7) . . . . ?
Cd3 N29 C50 C49 -13.0(12) . . . . ?
Cd3 N29 C51 N31 -167.4(8) . . . . ?
Cd3 N29 C51 C52 21(2) . . . . ?
Cd3 O6 C92 N50 -177(4) . . . . ?
Cd3 O7 C95 N51 -177(4) . . . . ?
Cd3 O7' C95' N52 -176(5) . . . . ?
Cd4 N10 C20 N11 -152.9(9) . . . . ?
Cd4 N10 C20 C19 30(2) . . . . ?
Cd4 N10 C21 N12 161.4(7) . . . . ?
Cd4 N10 C21 C22 -17.4(12) . . . . ?
Cd4 N13 C22 N14 -165.3(7) . . . . ?
Cd4 N13 C22 C21 13.3(13) . . . . ?
Cd4 N13 C23 N15 159.2(10) . . . . ?
Cd4 N13 C23 C24 -25(2) . . . . ?
Cd5 N34 C62 N35 -150.7(10) . . . . ?
Cd5 N34 C62 C61 36(2) . . . . ?
Cd5 N34 C63 N36 159.3(7) . . . . ?
Cd5 N34 C63 C64 -22.0(13) . . . . ?
Cd5 N37 C64 N38 -167.6(7) . . . . ?
Cd5 N37 C64 C63 17.8(12) . . . . ?
Cd5 N37 C65 N39 162.0(8) . . . . ?
Cd5 N37 C65 C66 -31(2) . . . . ?
Co1 N6 N7 Co5 25.8(12) . . . . ?
Co1 N6 N7 C9 -167.7(7) . . . . ?
Co1 N6 C8 N5 162.4(8) . . . . ?
Co1 N6 C8 C7 -15.0(19) . . . . ?
Co1 N12 C21 N10 147.7(8) . . . . ?
Co1 N12 C21 C22 -33.8(18) . . . . ?
Co1 N44 C78 N42 166.7(8) . . . . ?
Co1 N44 C78 C77 -14.5(19) . . . . ?
Co2 N4 C7 N2 -159.9(8) . . . . ?
Co2 N4 C7 C8 16.9(18) . . . . ?
Co2 N22 N23 Co6 -27.7(12) . . . . ?
Co2 N22 N23 C37 170.6(8) . . . . ?
Co2 N22 C36 N21 -165.3(8) . . . . ?
Co2 N22 C36 C35 15.4(19) . . . . ?
Co2 N38 N39 Co6 -22.6(12) . . . . ?
Co2 N38 N39 C65 165.0(7) . . . . ?
Co2 N38 C64 N37 -158.2(8) . . . . ?
Co2 N38 C64 C63 15.4(19) . . . . ?
Co3 N14 N15 Co7 -30.0(12) . . . . ?
Co3 N14 N15 C23 158.9(7) . . . . ?
Co3 N14 C22 N13 -151.8(9) . . . . ?
Co3 N14 C22 C21 29.7(17) . . . . ?
Co3 N20 C35 N18 -170.4(9) . . . . ?
Co3 N20 C35 C36 8(2) . . . . ?
Co3 N28 C49 N26 -150.0(9) . . . . ?
Co3 N28 C49 C50 33.9(18) . . . . ?
Co4 N30 N31 Co8 22.0(12) . . . . ?
Co4 N30 N31 C51 -166.1(7) . . . . ?
Co4 N30 C50 N29 161.6(8) . . . . ?
Co4 N30 C50 C49 -13.7(18) . . . . ?
Co4 N36 C63 N34 152.0(9) . . . . ?
Co4 N36 C63 C64 -26.5(19) . . . . ?
Co4 N46 N47 Co8 37.5(11) . . . . ?
Co4 N46 N47 C76 -166.2(7) . . . . ?
Co4 N46 C77 N45 162.8(9) . . . . ?
Co4 N46 C77 C78 -14.9(19) . . . . ?
Co5 N7 C9 N5 169.7(8) . . . . ?
Co5 N7 C9 C10 -16.3(14) . . . . ?
Co5 N8 C10 C9 4.9(13) . . . . ?
Co5 N8 C10 C11 -178.2(11) . . . . ?
Co5 N8 C14 C13 175.5(11) . . . . ?
Co5 N9 C15 C16 -169.1(15) . . . . ?
Co5 N9 C19 C18 171.1(12) . . . . ?
Co5 N9 C19 C20 -5.3(13) . . . . ?
Co5 N11 N12 Co1 31.4(11) . . . . ?
Co5 N11 N12 C21 -173.2(8) . . . . ?
Co5 N11 C20 N10 172.4(7) . . . . ?
Co5 N11 C20 C19 -10.6(14) . . . . ?
Co5 N41 C80 C79 8.8(13) . . . . ?
Co5 N41 C80 C81 -171.6(11) . . . . ?
Co5 N41 C84 C83 171.0(12) . . . . ?
Co5 N43 N44 Co1 30.5(12) . . . . ?
Co5 N43 N44 C78 -157.7(8) . . . . ?
Co5 N43 C79 N42 161.8(7) . . . . ?
Co5 N43 C79 C80 -23.6(13) . . . . ?
Co6 N1 C1 C2 177.6(13) . . . . ?
Co6 N1 C5 C4 -178.0(10) . . . . ?
Co6 N1 C5 C6 -0.9(13) . . . . ?
Co6 N3 N4 Co2 -23.9(13) . . . . ?
Co6 N3 N4 C7 171.7(8) . . . . ?
Co6 N3 C6 N2 -172.5(7) . . . . ?
Co6 N3 C6 C5 17.1(14) . . . . ?
Co6 N23 C37 N21 -167.4(8) . . . . ?
Co6 N23 C37 C38 22.5(15) . . . . ?
Co6 N24 C38 C37 -8.6(15) . . . . ?
Co6 N24 C38 C39 176.4(12) . . . . ?
Co6 N24 C42 C41 -174.3(12) . . . . ?
Co6 N39 C65 N37 -174.7(7) . . . . ?
Co6 N39 C65 C66 15.9(13) . . . . ?
Co6 N40 C66 C65 -2.7(13) . . . . ?
Co6 N40 C66 C67 -179.1(10) . . . . ?
Co6 N40 C70 C69 177.8(12) . . . . ?
Co7 N15 C23 N13 -171.1(8) . . . . ?
Co7 N15 C23 C24 12.2(13) . . . . ?
Co7 N16 C24 C23 -4.5(13) . . . . ?
Co7 N16 C24 C25 179.1(11) . . . . ?
Co7 N16 C28 C27 -177.5(10) . . . . ?
Co7 N17 C29 C30 179.7(15) . . . . ?
Co7 N17 C33 C32 176.3(15) . . . . ?
Co7 N17 C33 C34 -7.7(15) . . . . ?
Co7 N19 N20 Co3 -36.6(12) . . . . ?
Co7 N19 N20 C35 150.5(9) . . . . ?
Co7 N19 C34 N18 -157.0(9) . . . . ?
Co7 N19 C34 C33 29.9(15) . . . . ?
Co7 N25 C43 C44 177.7(12) . . . . ?
Co7 N25 C47 C46 -178.7(11) . . . . ?
Co7 N25 C47 C48 -1.1(13) . . . . ?
Co7 N27 N28 Co3 -36.8(11) . . . . ?
Co7 N27 N28 C49 166.4(8) . . . . ?
Co7 N27 C48 N26 -167.9(7) . . . . ?
Co7 N27 C48 C47 15.7(13) . . . . ?
Co8 N31 C51 N29 172.5(7) . . . . ?
Co8 N31 C51 C52 -15.0(13) . . . . ?
Co8 N32 C52 C51 4.7(14) . . . . ?
Co8 N32 C52 C53 179.8(14) . . . . ?
Co8 N32 C56 C55 178.1(16) . . . . ?
Co8 N33 C57 C58 -178.1(11) . . . . ?
Co8 N33 C61 C60 176.9(10) . . . . ?
Co8 N33 C61 C62 0.5(12) . . . . ?
Co8 N35 N36 Co4 29.0(12) . . . . ?
Co8 N35 N36 C63 -170.3(8) . . . . ?
Co8 N35 C62 N34 172.3(8) . . . . ?
Co8 N35 C62 C61 -13.6(14) . . . . ?
Co8 N47 C76 N45 156.9(7) . . . . ?
Co8 N47 C76 C75 -25.5(13) . . . . ?
Co8 N48 C71 C72 -178.0(13) . . . . ?
Co8 N48 C75 C74 -179.9(11) . . . . ?
Co8 N48 C75 C76 3.9(12) . . . . ?
N1 C1 C2 C3 0(3) . . . . ?
N1 C5 C6 N2 -178.6(11) . . . . ?
N1 C5 C6 N3 -10.1(15) . . . . ?
N2 C7 C8 N5 -0.2(15) . . . . ?
N2 C7 C8 N6 177.0(11) . . . . ?
N3 N4 C7 N2 -0.7(12) . . . . ?
N3 N4 C7 C8 176.1(11) . . . . ?
N4 N3 C6 N2 0.9(13) . . . . ?
N4 N3 C6 C5 -169.5(10) . . . . ?
N4 C7 C8 N5 -176.9(11) . . . . ?
N4 C7 C8 N6 0(2) . . . . ?
N5 C9 C10 N8 179.9(11) . . . . ?
N5 C9 C10 C11 3(2) . . . . ?
N6 N7 C9 N5 0.2(13) . . . . ?
N6 N7 C9 C10 174.2(10) . . . . ?
N7 N6 C8 N5 -0.3(12) . . . . ?
N7 N6 C8 C7 -177.7(11) . . . . ?
N7 C9 C10 N8 7.0(16) . . . . ?
N7 C9 C10 C11 -169.8(12) . . . . ?
N8 C10 C11 C12 3(2) . . . . ?
N9 C15 C16 C17 1(3) . . . . ?
N9 C19 C20 N10 -173.1(11) . . . . ?
N9 C19 C20 N11 10.4(15) . . . . ?
N10 C21 C22 N13 2.7(15) . . . . ?
N10 C21 C22 N14 -178.9(10) . . . . ?
N11 N12 C21 N10 0.5(12) . . . . ?
N11 N12 C21 C22 179.0(11) . . . . ?
N12 N11 C20 N10 -3.5(13) . . . . ?
N12 N11 C20 C19 173.6(9) . . . . ?
N12 C21 C22 N13 -175.8(11) . . . . ?
N12 C21 C22 N14 2.5(19) . . . . ?
N13 C23 C24 N16 179.3(12) . . . . ?
N13 C23 C24 C25 -4(2) . . . . ?
N14 N15 C23 N13 1.8(13) . . . . ?
N14 N15 C23 C24 -174.8(9) . . . . ?
N15 N14 C22 N13 -0.9(12) . . . . ?
N15 N14 C22 C21 -179.3(10) . . . . ?
N15 C23 C24 N16 -4.7(16) . . . . ?
N15 C23 C24 C25 171.9(12) . . . . ?
N16 C24 C25 C26 -1(2) . . . . ?
N17 C29 C30 C31 12(3) . . . . ?
N17 C33 C34 N18 174.0(13) . . . . ?
N17 C33 C34 N19 -14.3(18) . . . . ?
N18 C35 C36 N21 -21.7(15) . . . . ?
N18 C35 C36 N22 157.6(11) . . . . ?
N19 N20 C35 N18 -0.7(13) . . . . ?
N19 N20 C35 C36 177.8(11) . . . . ?
N20 N19 C34 N18 -1.6(15) . . . . ?
N20 N19 C34 C33 -174.6(11) . . . . ?
N20 C35 C36 N21 159.9(11) . . . . ?
N20 C35 C36 N22 -21(2) . . . . ?
N21 C37 C38 N24 -177.0(12) . . . . ?
N21 C37 C38 C39 -3(3) . . . . ?
N22 N23 C37 N21 -1.4(14) . . . . ?
N22 N23 C37 C38 -171.5(11) . . . . ?
N23 N22 C36 N21 0.6(12) . . . . ?
N23 N22 C36 C35 -178.7(11) . . . . ?
N23 C37 C38 N24 -8.5(18) . . . . ?
N23 C37 C38 C39 165.9(16) . . . . ?
N24 C38 C39 C40 0(3) . . . . ?
N25 C43 C44 C45 2(3) . . . . ?
N25 C47 C48 N26 175.1(12) . . . . ?
N25 C47 C48 N27 -9.2(16) . . . . ?
N26 C49 C50 N29 -6.6(14) . . . . ?
N26 C49 C50 N30 168.6(10) . . . . ?
N27 N28 C49 N26 -1.2(12) . . . . ?
N27 N28 C49 C50 -177.4(11) . . . . ?
N28 N27 C48 N26 0.4(13) . . . . ?
N28 N27 C48 C47 -175.9(10) . . . . ?
N28 C49 C50 N29 169.6(11) . . . . ?
N28 C49 C50 N30 -15.3(19) . . . . ?
N29 C51 C52 N32 177.1(12) . . . . ?
N29 C51 C52 C53 2(2) . . . . ?
N30 N31 C51 N29 -1.0(12) . . . . ?
N30 N31 C51 C52 171.4(10) . . . . ?
N31 N30 C50 N29 0.1(11) . . . . ?
N31 N30 C50 C49 -175.2(10) . . . . ?
N31 C51 C52 N32 6.2(16) . . . . ?
N31 C51 C52 C53 -168.8(15) . . . . ?
N32 C52 C53 C54 0(3) . . . . ?
N33 C57 C58 C59 1(2) . . . . ?
N33 C61 C62 N34 -178.5(11) . . . . ?
N33 C61 C62 N35 8.4(15) . . . . ?
N34 C63 C64 N37 2.9(15) . . . . ?
N34 C63 C64 N38 -170.6(11) . . . . ?
N35 N36 C63 N34 -1.1(12) . . . . ?
N35 N36 C63 C64 -179.6(11) . . . . ?
N36 N35 C62 N34 -1.1(13) . . . . ?
N36 N35 C62 C61 173.0(9) . . . . ?
N36 C63 C64 N37 -178.6(10) . . . . ?
N36 C63 C64 N38 8(2) . . . . ?
N37 C65 C66 N40 -175.0(12) . . . . ?
N37 C65 C66 C67 1(2) . . . . ?
N38 N39 C65 N37 -0.8(13) . . . . ?
N38 N39 C65 C66 -170.2(10) . . . . ?
N39 N38 C64 N37 1.8(12) . . . . ?
N39 N38 C64 C63 175.5(11) . . . . ?
N39 C65 C66 N40 -8.3(16) . . . . ?
N39 C65 C66 C67 168.1(12) . . . . ?
N40 C66 C67 C68 0(2) . . . . ?
N41 C80 C81 C82 -5(2) . . . . ?
N42 C79 C80 N41 -177.8(11) . . . . ?
N42 C79 C80 C81 3(2) . . . . ?
N43 N44 C78 N42 -1.9(12) . . . . ?
N43 N44 C78 C77 176.9(10) . . . . ?
N43 C79 C80 N41 8.6(16) . . . . ?
N43 C79 C80 C81 -171.0(13) . . . . ?
N44 N43 C79 N42 -1.8(13) . . . . ?
N44 N43 C79 C80 172.9(9) . . . . ?
N45 C77 C78 N42 26.0(14) . . . . ?
N45 C77 C78 N44 -152.8(11) . . . . ?
N46 N47 C76 N45 -4.0(13) . . . . ?
N46 N47 C76 C75 173.6(10) . . . . ?
N46 C77 C78 N42 -156.4(10) . . . . ?
N46 C77 C78 N44 24.9(18) . . . . ?
N47 N46 C77 N45 -1.2(12) . . . . ?
N47 N46 C77 C78 -178.9(10) . . . . ?
N48 C71 C72 C73 1(3) . . . . ?
N48 C75 C76 N45 -169.4(11) . . . . ?
N48 C75 C76 N47 13.5(16) . . . . ?
N49 C89 O5 Cd2 -171.0(13) . . . . ?
C1 N1 C5 C4 -0.9(19) . . . . ?
C1 N1 C5 C6 176.2(12) . . . . ?
C1 C2 C3 C4 -2(3) . . . . ?
C2 C3 C4 C5 2(2) . . . . ?
C3 C4 C5 N1 -1(2) . . . . ?
C3 C4 C5 C6 -177.4(13) . . . . ?
C4 C5 C6 N2 -2(2) . . . . ?
C4 C5 C6 N3 167.0(12) . . . . ?
C5 N1 C1 C2 1(2) . . . . ?
C6 N2 C7 N4 1.3(12) . . . . ?
C6 N2 C7 C8 -176.0(9) . . . . ?
C6 N3 N4 Co2 164.3(7) . . . . ?
C6 N3 N4 C7 -0.1(12) . . . . ?
C7 N2 C6 N3 -1.3(13) . . . . ?
C7 N2 C6 C5 167.6(11) . . . . ?
C8 N5 C9 N7 -0.3(13) . . . . ?
C8 N5 C9 C10 -173.5(12) . . . . ?
C8 N6 N7 Co5 -166.4(9) . . . . ?
C8 N6 N7 C9 0.1(11) . . . . ?
C9 N5 C8 N6 0.4(13) . . . . ?
C9 N5 C8 C7 178.2(9) . . . . ?
C9 C10 C11 C12 179.9(13) . . . . ?
C10 N8 C14 C13 -2.8(19) . . . . ?
C10 C11 C12 C13 -5(2) . . . . ?
C11 C12 C13 C14 2(2) . . . . ?
C12 C13 C14 N8 2(2) . . . . ?
C14 N8 C10 C9 -176.5(10) . . . . ?
C14 N8 C10 C11 0.4(18) . . . . ?
C15 N9 C19 C18 1(2) . . . . ?
C15 N9 C19 C20 -175.2(12) . . . . ?
C15 C16 C17 C18 -2(3) . . . . ?
C16 C17 C18 C19 3(3) . . . . ?
C17 C18 C19 N9 -2(3) . . . . ?
C17 C18 C19 C20 173.8(14) . . . . ?
C18 C19 C20 N10 10(2) . . . . ?
C18 C19 C20 N11 -166.0(14) . . . . ?
C19 N9 C15 C16 -1(3) . . . . ?
C20 N10 C21 N12 -2.4(13) . . . . ?
C20 N10 C21 C22 178.8(9) . . . . ?
C20 N11 N12 Co1 -153.7(7) . . . . ?
C20 N11 N12 C21 1.7(11) . . . . ?
C21 N10 C20 N11 3.5(12) . . . . ?
C21 N10 C20 C19 -173.2(11) . . . . ?
C22 N13 C23 N15 -2.3(13) . . . . ?
C22 N13 C23 C24 173.8(12) . . . . ?
C22 N14 N15 Co7 170.6(8) . . . . ?
C22 N14 N15 C23 -0.6(11) . . . . ?
C23 N13 C22 N14 1.9(13) . . . . ?
C23 N13 C22 C21 -179.5(10) . . . . ?
C23 C24 C25 C26 -176.8(13) . . . . ?
C24 N16 C28 C27 0(2) . . . . ?
C24 C25 C26 C27 -1(2) . . . . ?
C25 C26 C27 C28 2(2) . . . . ?
C26 C27 C28 N16 -2(2) . . . . ?
C28 N16 C24 C23 177.4(11) . . . . ?
C28 N16 C24 C25 1(2) . . . . ?
C29 N17 C33 C32 2(2) . . . . ?
C29 N17 C33 C34 178.4(13) . . . . ?
C29 C30 C31 C32 -10(4) . . . . ?
C30 C31 C32 C33 6(4) . . . . ?
C31 C32 C33 N17 -2(3) . . . . ?
C31 C32 C33 C34 -177.0(18) . . . . ?
C32 C33 C34 N18 -10(3) . . . . ?
C32 C33 C34 N19 161.6(17) . . . . ?
C33 N17 C29 C30 -8(3) . . . . ?
C34 N18 C35 N20 -0.1(14) . . . . ?
C34 N18 C35 C36 -178.8(10) . . . . ?
C34 N19 N20 Co3 174.3(8) . . . . ?
C34 N19 N20 C35 1.4(13) . . . . ?
C35 N18 C34 N19 1.1(14) . . . . ?
C35 N18 C34 C33 173.1(13) . . . . ?
C36 N21 C37 N23 1.7(13) . . . . ?
C36 N21 C37 C38 170.9(13) . . . . ?
C36 N22 N23 Co6 162.2(9) . . . . ?
C36 N22 N23 C37 0.5(12) . . . . ?
C37 N21 C36 N22 -1.4(13) . . . . ?
C37 N21 C36 C35 178.0(10) . . . . ?
C37 C38 C39 C40 -173.9(19) . . . . ?
C38 N24 C42 C41 1(2) . . . . ?
C38 C39 C40 C41 -3(3) . . . . ?
C39 C40 C41 C42 4(3) . . . . ?
C40 C41 C42 N24 -3(3) . . . . ?
C42 N24 C38 C37 175.9(13) . . . . ?
C42 N24 C38 C39 1(2) . . . . ?
C43 N25 C47 C46 0(2) . . . . ?
C43 N25 C47 C48 178.2(12) . . . . ?
C43 C44 C45 C46 -1(3) . . . . ?
C44 C45 C46 C47 0(2) . . . . ?
C45 C46 C47 N25 0(2) . . . . ?
C45 C46 C47 C48 -177.2(13) . . . . ?
C46 C47 C48 N26 -7(2) . . . . ?
C46 C47 C48 N27 168.5(12) . . . . ?
C47 N25 C43 C44 -1(2) . . . . ?
C48 N26 C49 N28 1.4(13) . . . . ?
C48 N26 C49 C50 178.2(9) . . . . ?
C48 N27 N28 Co3 157.2(7) . . . . ?
C48 N27 N28 C49 0.4(12) . . . . ?
C49 N26 C48 N27 -1.1(13) . . . . ?
C49 N26 C48 C47 174.8(12) . . . . ?
C50 N29 C51 N31 1.0(12) . . . . ?
C50 N29 C51 C52 -170.2(12) . . . . ?
C50 N30 N31 Co8 -171.3(8) . . . . ?
C50 N30 N31 C51 0.5(11) . . . . ?
C51 N29 C50 N30 -0.7(12) . . . . ?
C51 N29 C50 C49 175.2(9) . . . . ?
C51 C52 C53 C54 174.8(18) . . . . ?
C52 N32 C56 C55 2(3) . . . . ?
C52 C53 C54 C55 4(4) . . . . ?
C53 C54 C55 C56 -6(4) . . . . ?
C54 C55 C56 N32 3(4) . . . . ?
C56 N32 C52 C51 -178.2(13) . . . . ?
C56 N32 C52 C53 -3(2) . . . . ?
C57 N33 C61 C60 0.4(18) . . . . ?
C57 N33 C61 C62 -176.0(11) . . . . ?
C57 C58 C59 C60 2(3) . . . . ?
C58 C59 C60 C61 -4(2) . . . . ?
C59 C60 C61 N33 3(2) . . . . ?
C59 C60 C61 C62 178.4(13) . . . . ?
C60 C61 C62 N34 5(2) . . . . ?
C60 C61 C62 N35 -167.8(12) . . . . ?
C61 N33 C57 C58 -2(2) . . . . ?
C62 N34 C63 N36 0.5(13) . . . . ?
C62 N34 C63 C64 179.2(10) . . . . ?
C62 N35 N36 Co4 -159.4(7) . . . . ?
C62 N35 N36 C63 1.3(11) . . . . ?
C63 N34 C62 N35 0.4(13) . . . . ?
C63 N34 C62 C61 -173.0(11) . . . . ?
C64 N37 C65 N39 1.8(12) . . . . ?
C64 N37 C65 C66 169.3(12) . . . . ?
C64 N38 N39 Co6 171.8(8) . . . . ?
C64 N38 N39 C65 -0.6(12) . . . . ?
C65 N37 C64 N38 -2.3(12) . . . . ?
C65 N37 C64 C63 -176.8(9) . . . . ?
C65 C66 C67 C68 -176.3(14) . . . . ?
C66 N40 C70 C69 1(2) . . . . ?
C66 C67 C68 C69 3(3) . . . . ?
C67 C68 C69 C70 -4(3) . . . . ?
C68 C69 C70 N40 2(3) . . . . ?
C70 N40 C66 C65 174.4(12) . . . . ?
C70 N40 C66 C67 -2(2) . . . . ?
C71 N48 C75 C74 4.2(19) . . . . ?
C71 N48 C75 C76 -171.9(11) . . . . ?
C71 C72 C73 C74 1(3) . . . . ?
C72 C73 C74 C75 0(3) . . . . ?
C73 C74 C75 N48 -3(2) . . . . ?
C73 C74 C75 C76 172.8(14) . . . . ?
C74 C75 C76 N45 15(2) . . . . ?
C74 C75 C76 N47 -162.6(13) . . . . ?
C75 N48 C71 C72 -3(2) . . . . ?
C76 N45 C77 N46 -1.1(12) . . . . ?
C76 N45 C77 C78 176.9(9) . . . . ?
C77 N45 C76 N47 3.2(12) . . . . ?
C77 N45 C76 C75 -174.2(11) . . . . ?
C77 N46 N47 Co8 -153.2(8) . . . . ?
C77 N46 N47 C76 3.1(12) . . . . ?
C78 N42 C79 N43 0.6(12) . . . . ?
C78 N42 C79 C80 -173.2(12) . . . . ?
C79 N42 C78 N44 0.9(12) . . . . ?
C79 N42 C78 C77 -178.1(9) . . . . ?
C79 N43 N44 Co1 -169.6(7) . . . . ?
C79 N43 N44 C78 2.1(11) . . . . ?
C79 C80 C81 C82 174.5(14) . . . . ?
C80 N41 C84 C83 -6(2) . . . . ?
C80 C81 C82 C83 4(3) . . . . ?
C81 C82 C83 C84 -4(3) . . . . ?
C82 C83 C84 N41 5(3) . . . . ?
C84 N41 C80 C79 -173.9(11) . . . . ?
C84 N41 C80 C81 5.7(19) . . . . ?
C90 N49 C89 O5 7(3) . . . . ?
C91 N49 C89 O5 176(2) . . . . ?
Cd6 N18 C34 N19 154.0(11) . . . . ?
Cd6 N18 C34 C33 -34(2) . . . . ?
Cd6 N18 C35 N20 -164.2(8) . . . . ?
Cd6 N18 C35 C36 17.1(13) . . . . ?
Cd6 N21 C36 N22 -165.1(7) . . . . ?
Cd6 N21 C36 C35 14.3(14) . . . . ?
Cd6 N21 C37 N23 162.1(9) . . . . ?
Cd6 N21 C37 C38 -29(2) . . . . ?
C93 N50 C92 O6 -165(7) . . . . ?
C94 N50 C92 O6 31(9) . . . . ?
C96 N51 C95 O7 176(7) . . . . ?
C97 N51 C95 O7 24(8) . . . . ?
Cd6' N18 C34 N19 145.2(10) . . . . ?
Cd6' N18 C34 C33 -43(2) . . . . ?
Cd6' N18 C35 N20 -150.9(8) . . . . ?
Cd6' N18 C35 C36 30.4(13) . . . . ?
Cd6' N21 C36 N22 -176.2(7) . . . . ?
Cd6' N21 C36 C35 3.3(12) . . . . ?
Cd6' N21 C37 N23 173.0(10) . . . . ?
Cd6' N21 C37 C38 -18(2) . . . . ?
C96' N52 C95' O7' -162(10) . . . . ?
C97' N52 C95' O7' -7(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.219
_oxdiff_exptl_absorpt_empirical_full_min 0.821
