#------------------------------------------------------------------------------
#$Date: 2022-11-11 04:22:00 +0200 (Fri, 11 Nov 2022) $
#$Revision: 279226 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/57/7245799.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7245799
loop_
_publ_author_name
'Umar, Q.'
'Huang, Y.'
'Nazeer, A.'
'Yin, H.'
'Zhang, J. C.'
'Luo, M.'
'Meng, X. G.'
_publ_section_title
;
 Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+
 and Ni2+ complexes involving chiral amino alcohols
;
_journal_issue                   49
_journal_name_full               'RSC Advances'
_journal_page_first              32119
_journal_page_last               32128
_journal_paper_doi               10.1039/D2RA05576G
_journal_volume                  12
_journal_year                    2022
_chemical_absolute_configuration ad
_chemical_formula_sum            'C48 H66 Cl6 Co3 N6 O6'
_chemical_formula_weight         1212.55
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2022-03-12 deposited with the CCDC.	2022-10-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.3688(11)
_cell_length_b                   16.6075(14)
_cell_length_c                   24.609(2)
_cell_measurement_reflns_used    7881
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      50.895
_cell_measurement_theta_min      5.001
_cell_volume                     5872.4(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_av_unetI/netI     0.0656
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            28027
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         1.641
_exptl_absorpt_coefficient_mu    1.158
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2508
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.032
_refine_diff_density_min         -1.218
_refine_diff_density_rms         0.225
_refine_ls_abs_structure_details
; 
 Flack x determined using 2354 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   0.054(10)
_refine_ls_extinction_coef       0.027(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     596
_refine_ls_number_reflns         10885
_refine_ls_number_restraints     433
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.1363
_refine_ls_R_factor_gt           0.0961
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2610
_refine_ls_wR_factor_ref         0.3040
_reflns_Friedel_coverage         0.812
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                6966
_reflns_number_total             10885
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ra05576g2.cif
_cod_data_source_block           mo_ddz20091_0m
_cod_database_code               7245799
_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. 
;
_shelx_estimated_absorpt_t_min   0.801
_shelx_estimated_absorpt_t_max   0.883
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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 0.48372(13) 0.68232(10) 0.29662(7) 0.0701(6) Uani 1 1 d . U . . .
Co2 Co 0.50477(12) 0.77482(10) 0.38351(7) 0.0673(5) Uani 1 1 d . . . . .
Co3 Co 0.52426(11) 0.86620(9) 0.47099(7) 0.0633(5) Uani 1 1 d . U . . .
N1 N 0.4254(8) 0.5768(6) 0.3014(5) 0.075(3) Uani 1 1 d . U . . .
H1A H 0.3601 0.5823 0.3107 0.089 Uiso 1 1 calc R U . . .
H1B H 0.4300 0.5491 0.2668 0.089 Uiso 1 1 calc R U . . .
N2 N 0.5879(9) 0.6446(7) 0.2537(5) 0.079(3) Uani 1 1 d . U . . .
H2A H 0.6219 0.6039 0.2738 0.095 Uiso 1 1 calc R U . . .
H2B H 0.5652 0.6203 0.2204 0.095 Uiso 1 1 calc R U . . .
N3 N 0.4138(8) 0.7199(8) 0.2332(4) 0.081(3) Uani 1 1 d . U . . .
H3A H 0.4431 0.7670 0.2174 0.097 Uiso 1 1 calc R U . . .
H3B H 0.4103 0.6780 0.2058 0.097 Uiso 1 1 calc R U . . .
N4 N 0.5665(7) 0.8220(6) 0.5419(4) 0.072(3) Uani 1 1 d . U . . .
H4A H 0.6284 0.7991 0.5386 0.086 Uiso 1 1 calc R U . . .
H4B H 0.5678 0.8639 0.5694 0.086 Uiso 1 1 calc R U . . .
N5 N 0.6054(7) 0.9609(7) 0.4710(5) 0.079(3) Uani 1 1 d . U . . .
H5A H 0.5838 1.0001 0.4446 0.094 Uiso 1 1 calc R U . . .
H5B H 0.6061 0.9859 0.5066 0.094 Uiso 1 1 calc R U . . .
N6 N 0.4235(7) 0.9235(6) 0.5029(5) 0.071(3) Uani 1 1 d . U . . .
H6A H 0.3749 0.8866 0.5143 0.085 Uiso 1 1 calc R U . . .
H6B H 0.4446 0.9536 0.5344 0.085 Uiso 1 1 calc R U . . .
O1 O 0.5453(7) 0.6565(5) 0.3627(4) 0.077(2) Uani 1 1 d . U . . .
H1 H 0.6127 0.6490 0.3591 0.093 Uiso 1 1 d R U . . .
O2 O 0.5470(7) 0.7839(5) 0.3015(4) 0.080(2) Uani 1 1 d . U . . .
H2D H 0.5176 0.8278 0.2812 0.096 Uiso 1 1 d R U . . .
O3 O 0.3908(7) 0.7284(5) 0.3407(3) 0.073(2) Uani 1 1 d . U . . .
H3 H 0.3553 0.6884 0.3614 0.087 Uiso 1 1 d R U . . .
O4 O 0.4527(6) 0.7702(5) 0.4643(3) 0.070(2) Uani 1 1 d . U . . .
H4D H 0.3856 0.7804 0.4661 0.084 Uiso 1 1 d R U . . .
O5 O 0.6209(6) 0.8110(5) 0.4301(4) 0.070(2) Uani 1 1 d . U . . .
H5D H 0.6486 0.7663 0.4504 0.084 Uiso 1 1 d R U . . .
O6 O 0.4764(6) 0.8931(4) 0.4022(3) 0.067(2) Uani 1 1 d . U . . .
H6D H 0.5178 0.9299 0.3826 0.080 Uiso 1 1 d R U . . .
C1 C 0.4992(11) 0.5927(7) 0.3874(5) 0.078(3) Uani 1 1 d . U . . .
H1C H 0.4426 0.6120 0.4045 0.093 Uiso 1 1 calc R U . . .
H1D H 0.5384 0.5694 0.4154 0.093 Uiso 1 1 calc R U . . .
C2 C 0.4759(12) 0.5296(7) 0.3451(5) 0.081(4) Uani 1 1 d . U . . .
H2 H 0.5344 0.5099 0.3296 0.097 Uiso 1 1 calc R U . . .
C3 C 0.4244(14) 0.4590(10) 0.3676(7) 0.095(4) Uani 1 1 d . U . . .
C4 C 0.335(2) 0.4639(16) 0.3859(12) 0.149(8) Uani 1 1 d . U . . .
H4 H 0.2995 0.5093 0.3786 0.178 Uiso 1 1 calc R U . . .
C5 C 0.299(3) 0.402(2) 0.4149(15) 0.176(10) Uani 1 1 d . U . . .
H5 H 0.2431 0.4073 0.4340 0.211 Uiso 1 1 calc R U . . .
C6 C 0.348(3) 0.3300(16) 0.4148(12) 0.158(10) Uani 1 1 d . U . . .
H6 H 0.3196 0.2857 0.4309 0.190 Uiso 1 1 calc R U . . .
C7 C 0.429(2) 0.3193(10) 0.3946(9) 0.126(7) Uani 1 1 d . U . . .
H7 H 0.4589 0.2694 0.3954 0.151 Uiso 1 1 calc R U . . .
C8 C 0.4715(16) 0.3871(8) 0.3711(7) 0.100(5) Uani 1 1 d . U . . .
H8 H 0.5319 0.3835 0.3578 0.119 Uiso 1 1 calc R U . . .
C9 C 0.6439(11) 0.7729(11) 0.2907(8) 0.096(5) Uani 1 1 d . U . . .
H9A H 0.6745 0.7494 0.3220 0.115 Uiso 1 1 calc R U . . .
H9B H 0.6730 0.8244 0.2829 0.115 Uiso 1 1 calc R U . . .
C10 C 0.6533(12) 0.7149(11) 0.2399(7) 0.095(5) Uani 1 1 d . U . . .
H10 H 0.6323 0.7422 0.2068 0.114 Uiso 1 1 calc R U . . .
C11 C 0.7522(11) 0.6875(14) 0.2337(8) 0.164(10) Uani 1 1 d G U . . .
C12 C 0.7997(13) 0.6378(14) 0.2697(9) 0.207(13) Uani 1 1 d G U . . .
H12 H 0.7682 0.6140 0.2986 0.248 Uiso 1 1 calc R U . . .
C13 C 0.8943(13) 0.6237(16) 0.2626(12) 0.236(15) Uani 1 1 d G U . . .
H13 H 0.9261 0.5904 0.2867 0.283 Uiso 1 1 calc R U . . .
C14 C 0.9413(11) 0.659(2) 0.2194(14) 0.260(17) Uani 1 1 d G U . . .
H14 H 1.0045 0.6497 0.2146 0.313 Uiso 1 1 calc R U . . .
C15 C 0.8937(18) 0.709(2) 0.1834(11) 0.293(18) Uani 1 1 d G U . . .
H15 H 0.9252 0.7326 0.1545 0.352 Uiso 1 1 calc R U . . .
C16 C 0.7992(18) 0.7230(17) 0.1906(9) 0.284(17) Uani 1 1 d G U . . .
H16 H 0.7674 0.7562 0.1665 0.341 Uiso 1 1 calc R U . . .
C17 C 0.3324(10) 0.7801(12) 0.3093(6) 0.089(4) Uani 1 1 d . U . . .
H17A H 0.3616 0.8323 0.3047 0.107 Uiso 1 1 calc R U . . .
H17B H 0.2730 0.7876 0.3273 0.107 Uiso 1 1 calc R U . . .
C18 C 0.3182(11) 0.7402(13) 0.2543(7) 0.102(5) Uani 1 1 d . U . . .
H18 H 0.2796 0.6918 0.2576 0.122 Uiso 1 1 calc R U . . .
C19 C 0.2711(10) 0.8050(9) 0.2143(6) 0.116(6) Uani 1 1 d G U . . .
C20 C 0.1842(11) 0.7830(9) 0.1944(8) 0.161(9) Uani 1 1 d G U . . .
H20 H 0.1603 0.7322 0.2020 0.194 Uiso 1 1 calc R U . . .
C21 C 0.1330(11) 0.8369(13) 0.1632(9) 0.189(12) Uani 1 1 d G U . . .
H21 H 0.0749 0.8221 0.1499 0.227 Uiso 1 1 calc R U . . .
C22 C 0.1688(15) 0.9128(13) 0.1518(9) 0.226(14) Uani 1 1 d G U . . .
H22 H 0.1346 0.9488 0.1309 0.272 Uiso 1 1 calc R U . . .
C23 C 0.2557(15) 0.9348(9) 0.1717(9) 0.196(12) Uani 1 1 d G U . . .
H23 H 0.2796 0.9856 0.1641 0.235 Uiso 1 1 calc R U . . .
C24 C 0.3069(10) 0.8809(10) 0.2029(7) 0.168(10) Uani 1 1 d G U . . .
H24 H 0.3650 0.8956 0.2162 0.202 Uiso 1 1 calc R U . . .
C25 C 0.4814(11) 0.7126(7) 0.5020(5) 0.076(3) Uani 1 1 d . U . . .
H25A H 0.5382 0.6865 0.4900 0.091 Uiso 1 1 calc R U . . .
H25B H 0.4337 0.6719 0.5068 0.091 Uiso 1 1 calc R U . . .
C26 C 0.4983(9) 0.7593(8) 0.5562(5) 0.074(3) Uani 1 1 d . U . . .
H26 H 0.4400 0.7856 0.5668 0.089 Uiso 1 1 calc R U . . .
C27 C 0.5278(11) 0.7043(7) 0.6009(6) 0.075(3) Uani 1 1 d . U . . .
C28 C 0.487(2) 0.7115(12) 0.6501(7) 0.136(8) Uani 1 1 d . U . . .
H28 H 0.4437 0.7520 0.6555 0.163 Uiso 1 1 calc R U . . .
C29 C 0.509(2) 0.6610(16) 0.6926(8) 0.158(9) Uani 1 1 d . U . . .
H29 H 0.4740 0.6658 0.7244 0.189 Uiso 1 1 calc R U . . .
C30 C 0.575(2) 0.6059(15) 0.6909(10) 0.135(8) Uani 1 1 d . U . . .
H30 H 0.5893 0.5735 0.7206 0.162 Uiso 1 1 calc R U . . .
C31 C 0.6204(15) 0.6001(13) 0.6441(13) 0.140(8) Uani 1 1 d . U . . .
H31 H 0.6666 0.5612 0.6407 0.168 Uiso 1 1 calc R U . . .
C32 C 0.6004(14) 0.6527(13) 0.5975(8) 0.115(6) Uani 1 1 d . U . . .
H32 H 0.6368 0.6505 0.5663 0.138 Uiso 1 1 calc R U . . .
C33 C 0.6869(9) 0.8689(8) 0.4138(6) 0.073(3) Uani 1 1 d . U . . .
H33A H 0.6659 0.8946 0.3806 0.088 Uiso 1 1 calc R U . . .
H33B H 0.7456 0.8424 0.4062 0.088 Uiso 1 1 calc R U . . .
C34 C 0.7014(8) 0.9312(9) 0.4561(6) 0.075(3) Uani 1 1 d . U . . .
H34 H 0.7273 0.9042 0.4882 0.090 Uiso 1 1 calc R U . . .
C35 C 0.7648(11) 0.9978(9) 0.4418(7) 0.089(4) Uani 1 1 d . U . . .
C36 C 0.8587(12) 0.9861(13) 0.4328(13) 0.151(8) Uani 1 1 d . U . . .
H36 H 0.8805 0.9334 0.4335 0.182 Uiso 1 1 calc R U . . .
C37 C 0.9208(16) 1.044(2) 0.4232(14) 0.176(10) Uani 1 1 d . U . . .
H37 H 0.9829 1.0294 0.4198 0.211 Uiso 1 1 calc R U . . .
C38 C 0.8995(16) 1.1246(16) 0.4180(10) 0.131(7) Uani 1 1 d . U . . .
H38 H 0.9440 1.1640 0.4108 0.157 Uiso 1 1 calc R U . . .
C39 C 0.807(2) 1.1414(12) 0.4242(11) 0.150(8) Uani 1 1 d . U . . .
H39 H 0.7879 1.1947 0.4221 0.180 Uiso 1 1 calc R U . . .
C40 C 0.7388(14) 1.0796(10) 0.4340(8) 0.110(5) Uani 1 1 d . U . . .
H40 H 0.6762 1.0936 0.4352 0.132 Uiso 1 1 calc R U . . .
C41 C 0.3845(10) 0.9265(9) 0.4083(6) 0.076(3) Uani 1 1 d . U . . .
H41A H 0.3393 0.8838 0.4134 0.092 Uiso 1 1 calc R U . . .
H41B H 0.3675 0.9569 0.3761 0.092 Uiso 1 1 calc R U . . .
C42 C 0.3867(9) 0.9817(8) 0.4582(6) 0.072(3) Uani 1 1 d . U . . .
H42 H 0.4353 1.0220 0.4518 0.087 Uiso 1 1 calc R U . . .
C43 C 0.3017(7) 1.0259(6) 0.4750(6) 0.082(4) Uani 1 1 d G U . . .
C44 C 0.3055(10) 1.1093(6) 0.4705(10) 0.207(12) Uani 1 1 d G U . . .
H44 H 0.3584 1.1339 0.4565 0.248 Uiso 1 1 calc R U . . .
C45 C 0.2302(13) 1.1559(6) 0.4869(12) 0.264(15) Uani 1 1 d G U . . .
H45 H 0.2328 1.2116 0.4839 0.317 Uiso 1 1 calc R U . . .
C46 C 0.1511(11) 1.1191(10) 0.5079(10) 0.225(14) Uani 1 1 d G U . . .
H46 H 0.1007 1.1502 0.5189 0.270 Uiso 1 1 calc R U . . .
C47 C 0.1472(8) 1.0357(10) 0.5124(9) 0.212(13) Uani 1 1 d G U . . .
H47 H 0.0943 1.0111 0.5264 0.255 Uiso 1 1 calc R U . . .
C48 C 0.2225(8) 0.9891(6) 0.4960(8) 0.160(10) Uani 1 1 d G U . . .
H48 H 0.2200 0.9334 0.4990 0.192 Uiso 1 1 calc R U . . .
Cl1 Cl 0.5167(3) 0.1017(2) 0.36125(19) 0.1033(13) Uani 1 1 d . . . . .
Cl2 Cl 0.5509(9) 0.9819(8) 0.6134(5) 0.293(8) Uani 1 1 d . . . . .
Cl3 Cl 0.2727(7) 0.6987(11) 0.4357(6) 0.294(8) Uani 1 1 d . . . . .
Cl4 Cl 0.7444(12) 0.6867(11) 0.4434(11) 0.405(16) Uani 1 1 d . . . . .
Cl5 Cl 0.2052(15) 0.5660(14) 0.2994(9) 0.209(8) Uani 0.5 1 d . . P . .
Cl6 Cl 0.5102(11) 0.9514(9) 0.2806(5) 0.274(7) Uani 1 1 d . . . . .
Cl5' Cl 0.545(3) 0.112(6) 0.5529(14) 0.55(5) Uani 0.5 1 d . . P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Co1 O1 86.0(4) . . ?
O3 Co1 O2 86.7(4) . . ?
O1 Co1 O2 85.6(4) . . ?
O3 Co1 N2 173.8(5) . . ?
O1 Co1 N2 91.9(5) . . ?
O2 Co1 N2 87.3(4) . . ?
O3 Co1 N1 91.5(4) . . ?
O1 Co1 N1 86.9(4) . . ?
O2 Co1 N1 172.4(5) . . ?
N2 Co1 N1 94.3(5) . . ?
O3 Co1 N3 88.0(4) . . ?
O1 Co1 N3 173.2(4) . . ?
O2 Co1 N3 90.8(5) . . ?
N2 Co1 N3 93.7(5) . . ?
N1 Co1 N3 96.6(5) . . ?
O3 Co1 Co2 51.7(3) . . ?
O1 Co1 Co2 52.2(3) . . ?
O2 Co1 Co2 52.1(3) . . ?
N2 Co1 Co2 122.6(4) . . ?
N1 Co1 Co2 121.5(3) . . ?
N3 Co1 Co2 121.1(4) . . ?
O6 Co2 O3 108.0(4) . . ?
O6 Co2 O5 76.3(3) . . ?
O3 Co2 O5 174.7(3) . . ?
O6 Co2 O2 101.7(3) . . ?
O3 Co2 O2 76.7(4) . . ?
O5 Co2 O2 105.7(4) . . ?
O6 Co2 O1 175.2(4) . . ?
O3 Co2 O1 75.6(4) . . ?
O5 Co2 O1 100.3(4) . . ?
O2 Co2 O1 75.8(3) . . ?
O6 Co2 O4 75.9(3) . . ?
O3 Co2 O4 100.5(3) . . ?
O5 Co2 O4 77.4(3) . . ?
O2 Co2 O4 175.6(4) . . ?
O1 Co2 O4 106.9(3) . . ?
O6 Co2 Co3 45.0(2) . . ?
O3 Co2 Co3 134.6(2) . . ?
O5 Co2 Co3 46.5(2) . . ?
O2 Co2 Co3 134.8(3) . . ?
O1 Co2 Co3 134.5(3) . . ?
O4 Co2 Co3 45.4(2) . . ?
O6 Co2 Co1 135.3(3) . . ?
O3 Co2 Co1 44.9(2) . . ?
O5 Co2 Co1 133.9(2) . . ?
O2 Co2 Co1 45.9(3) . . ?
O1 Co2 Co1 45.3(3) . . ?
O4 Co2 Co1 133.9(2) . . ?
Co3 Co2 Co1 179.29(9) . . ?
O6 Co3 N6 88.6(4) . . ?
O6 Co3 O4 85.6(3) . . ?
N6 Co3 O4 92.5(4) . . ?
O6 Co3 O5 84.6(4) . . ?
N6 Co3 O5 173.2(4) . . ?
O4 Co3 O5 86.9(4) . . ?
O6 Co3 N5 91.6(5) . . ?
N6 Co3 N5 92.9(5) . . ?
O4 Co3 N5 173.8(4) . . ?
O5 Co3 N5 87.3(4) . . ?
O6 Co3 N4 171.6(4) . . ?
N6 Co3 N4 93.1(5) . . ?
O4 Co3 N4 86.1(4) . . ?
O5 Co3 N4 93.6(4) . . ?
N5 Co3 N4 96.6(5) . . ?
O6 Co3 Co2 50.6(2) . . ?
N6 Co3 Co2 122.8(3) . . ?
O4 Co3 Co2 52.6(3) . . ?
O5 Co3 Co2 52.0(3) . . ?
N5 Co3 Co2 121.6(4) . . ?
N4 Co3 Co2 122.3(3) . . ?
C2 N1 Co1 107.7(8) . . ?
C2 N1 H1A 110.2 . . ?
Co1 N1 H1A 110.2 . . ?
C2 N1 H1B 110.2 . . ?
Co1 N1 H1B 110.2 . . ?
H1A N1 H1B 108.5 . . ?
C10 N2 Co1 110.3(8) . . ?
C10 N2 H2A 109.6 . . ?
Co1 N2 H2A 109.6 . . ?
C10 N2 H2B 109.6 . . ?
Co1 N2 H2B 109.6 . . ?
H2A N2 H2B 108.1 . . ?
C18 N3 Co1 105.3(9) . . ?
C18 N3 H3A 110.7 . . ?
Co1 N3 H3A 110.7 . . ?
C18 N3 H3B 110.7 . . ?
Co1 N3 H3B 110.7 . . ?
H3A N3 H3B 108.8 . . ?
C26 N4 Co3 105.5(7) . . ?
C26 N4 H4A 110.6 . . ?
Co3 N4 H4A 110.6 . . ?
C26 N4 H4B 110.6 . . ?
Co3 N4 H4B 110.6 . . ?
H4A N4 H4B 108.8 . . ?
C34 N5 Co3 106.3(8) . . ?
C34 N5 H5A 110.5 . . ?
Co3 N5 H5A 110.5 . . ?
C34 N5 H5B 110.5 . . ?
Co3 N5 H5B 110.5 . . ?
H5A N5 H5B 108.7 . . ?
C42 N6 Co3 106.1(7) . . ?
C42 N6 H6A 110.5 . . ?
Co3 N6 H6A 110.5 . . ?
C42 N6 H6B 110.5 . . ?
Co3 N6 H6B 110.5 . . ?
H6A N6 H6B 108.7 . . ?
C1 O1 Co1 109.0(9) . . ?
C1 O1 Co2 118.1(7) . . ?
Co1 O1 Co2 82.5(3) . . ?
C1 O1 H1 114.4 . . ?
Co1 O1 H1 114.4 . . ?
Co2 O1 H1 114.4 . . ?
C9 O2 Co1 109.7(9) . . ?
C9 O2 Co2 116.7(10) . . ?
Co1 O2 Co2 82.0(3) . . ?
C9 O2 H2D 114.7 . . ?
Co1 O2 H2D 114.7 . . ?
Co2 O2 H2D 114.7 . . ?
C17 O3 Co1 110.5(8) . . ?
C17 O3 Co2 120.7(9) . . ?
Co1 O3 Co2 83.4(4) . . ?
C17 O3 H3 112.5 . . ?
Co1 O3 H3 113.2 . . ?
Co2 O3 H3 113.2 . . ?
C25 O4 Co3 110.9(8) . . ?
C25 O4 Co2 122.9(8) . . ?
Co3 O4 Co2 82.0(3) . . ?
C25 O4 H4D 112.2 . . ?
Co3 O4 H4D 112.5 . . ?
Co2 O4 H4D 112.5 . . ?
C33 O5 Co3 107.9(7) . . ?
C33 O5 Co2 124.9(8) . . ?
Co3 O5 Co2 81.4(3) . . ?
C33 O5 H5D 112.9 . . ?
Co3 O5 H5D 112.5 . . ?
Co2 O5 H5D 112.5 . . ?
C41 O6 Co3 109.4(7) . . ?
C41 O6 Co2 125.0(8) . . ?
Co3 O6 Co2 84.4(3) . . ?
C41 O6 H6D 111.6 . . ?
Co3 O6 H6D 111.6 . . ?
Co2 O6 H6D 111.5 . . ?
O1 C1 C2 109.4(10) . . ?
O1 C1 H1C 109.8 . . ?
C2 C1 H1C 109.8 . . ?
O1 C1 H1D 109.8 . . ?
C2 C1 H1D 109.8 . . ?
H1C C1 H1D 108.2 . . ?
C3 C2 N1 115.6(14) . . ?
C3 C2 C1 113.5(12) . . ?
N1 C2 C1 103.6(10) . . ?
C3 C2 H2 107.9 . . ?
N1 C2 H2 107.9 . . ?
C1 C2 H2 107.9 . . ?
C4 C3 C8 119.6(19) . . ?
C4 C3 C2 122.9(19) . . ?
C8 C3 C2 117.5(17) . . ?
C5 C4 C3 120(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 117(3) . . ?
C4 C5 H5 121.5 . . ?
C6 C5 H5 121.5 . . ?
C7 C6 C5 126(2) . . ?
C7 C6 H6 117.1 . . ?
C5 C6 H6 117.1 . . ?
C6 C7 C8 116(2) . . ?
C6 C7 H7 121.9 . . ?
C8 C7 H7 121.9 . . ?
C3 C8 C7 121(2) . . ?
C3 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
O2 C9 C10 107.9(13) . . ?
O2 C9 H9A 110.1 . . ?
C10 C9 H9A 110.1 . . ?
O2 C9 H9B 110.1 . . ?
C10 C9 H9B 110.1 . . ?
H9A C9 H9B 108.4 . . ?
C11 C10 N2 111.7(15) . . ?
C11 C10 C9 110.2(15) . . ?
N2 C10 C9 103.6(11) . . ?
C11 C10 H10 110.4 . . ?
N2 C10 H10 110.4 . . ?
C9 C10 H10 110.4 . . ?
C12 C11 C16 120.0 . . ?
C12 C11 C10 125.6(15) . . ?
C16 C11 C10 114.1(15) . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C11 120.0 . . ?
C15 C16 H16 120.0 . . ?
C11 C16 H16 120.0 . . ?
O3 C17 C18 107.3(13) . . ?
O3 C17 H17A 110.2 . . ?
C18 C17 H17A 110.2 . . ?
O3 C17 H17B 110.2 . . ?
C18 C17 H17B 110.2 . . ?
H17A C17 H17B 108.5 . . ?
N3 C18 C17 106.4(13) . . ?
N3 C18 C19 108.8(13) . . ?
C17 C18 C19 108.0(15) . . ?
N3 C18 H18 111.1 . . ?
C17 C18 H18 111.1 . . ?
C19 C18 H18 111.1 . . ?
C20 C19 C24 120.0 . . ?
C20 C19 C18 114.7(12) . . ?
C24 C19 C18 125.1(13) . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C19 120.0 . . ?
C23 C24 H24 120.0 . . ?
C19 C24 H24 120.0 . . ?
O4 C25 C26 105.8(9) . . ?
O4 C25 H25A 110.6 . . ?
C26 C25 H25A 110.6 . . ?
O4 C25 H25B 110.6 . . ?
C26 C25 H25B 110.6 . . ?
H25A C25 H25B 108.7 . . ?
N4 C26 C27 114.8(11) . . ?
N4 C26 C25 104.6(10) . . ?
C27 C26 C25 111.7(10) . . ?
N4 C26 H26 108.5 . . ?
C27 C26 H26 108.5 . . ?
C25 C26 H26 108.5 . . ?
C28 C27 C32 116.3(16) . . ?
C28 C27 C26 119.1(15) . . ?
C32 C27 C26 124.2(15) . . ?
C27 C28 C29 122(2) . . ?
C27 C28 H28 118.8 . . ?
C29 C28 H28 118.8 . . ?
C30 C29 C28 124(2) . . ?
C30 C29 H29 118.0 . . ?
C28 C29 H29 118.0 . . ?
C29 C30 C31 116(2) . . ?
C29 C30 H30 122.2 . . ?
C31 C30 H30 122.3 . . ?
C30 C31 C32 123(2) . . ?
C30 C31 H31 118.7 . . ?
C32 C31 H31 118.7 . . ?
C27 C32 C31 119(2) . . ?
C27 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
O5 C33 C34 111.8(11) . . ?
O5 C33 H33A 109.3 . . ?
C34 C33 H33A 109.3 . . ?
O5 C33 H33B 109.3 . . ?
C34 C33 H33B 109.3 . . ?
H33A C33 H33B 107.9 . . ?
C35 C34 C33 116.2(12) . . ?
C35 C34 N5 112.1(12) . . ?
C33 C34 N5 105.6(10) . . ?
C35 C34 H34 107.5 . . ?
C33 C34 H34 107.5 . . ?
N5 C34 H34 107.5 . . ?
C36 C35 C40 111.7(16) . . ?
C36 C35 C34 122.4(15) . . ?
C40 C35 C34 125.9(14) . . ?
C37 C36 C35 125(2) . . ?
C37 C36 H36 117.3 . . ?
C35 C36 H36 117.3 . . ?
C36 C37 C38 125(2) . . ?
C36 C37 H37 117.6 . . ?
C38 C37 H37 117.6 . . ?
C39 C38 C37 114(2) . . ?
C39 C38 H38 123.1 . . ?
C37 C38 H38 123.1 . . ?
C38 C39 C40 123(2) . . ?
C38 C39 H39 118.7 . . ?
C40 C39 H39 118.7 . . ?
C35 C40 C39 121.6(18) . . ?
C35 C40 H40 119.2 . . ?
C39 C40 H40 119.2 . . ?
O6 C41 C42 107.2(11) . . ?
O6 C41 H41A 110.3 . . ?
C42 C41 H41A 110.3 . . ?
O6 C41 H41B 110.3 . . ?
C42 C41 H41B 110.3 . . ?
H41A C41 H41B 108.5 . . ?
C43 C42 C41 120.2(12) . . ?
C43 C42 N6 112.9(11) . . ?
C41 C42 N6 101.6(10) . . ?
C43 C42 H42 107.1 . . ?
C41 C42 H42 107.1 . . ?
N6 C42 H42 107.1 . . ?
C44 C43 C48 120.0 . . ?
C44 C43 C42 116.0(8) . . ?
C48 C43 C42 124.0(8) . . ?
C43 C44 C45 120.0 . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C45 C46 C47 120.0 . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
C46 C47 C48 120.0 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
C47 C48 C43 120.0 . . ?
C47 C48 H48 120.0 . . ?
C43 C48 H48 120.0 . . ?
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 O3 1.883(9) . ?
Co1 O1 1.900(10) . ?
Co1 O2 1.920(10) . ?
Co1 N2 1.937(11) . ?
Co1 N1 1.946(12) . ?
Co1 N3 1.958(12) . ?
Co1 Co2 2.650(2) . ?
Co2 O6 2.058(8) . ?
Co2 O3 2.095(10) . ?
Co2 O5 2.111(9) . ?
Co2 O2 2.112(9) . ?
Co2 O1 2.113(9) . ?
Co2 O4 2.125(9) . ?
Co2 Co3 2.649(2) . ?
Co3 O6 1.882(9) . ?
Co3 N6 1.902(11) . ?
Co3 O4 1.905(9) . ?
Co3 O5 1.945(8) . ?
Co3 N5 1.958(10) . ?
Co3 N4 1.988(11) . ?
N1 C2 1.515(18) . ?
N1 H1A 0.9700 . ?
N1 H1B 0.9700 . ?
N2 C10 1.54(2) . ?
N2 H2A 0.9700 . ?
N2 H2B 0.9700 . ?
N3 C18 1.506(19) . ?
N3 H3A 0.9700 . ?
N3 H3B 0.9700 . ?
N4 C26 1.473(17) . ?
N4 H4A 0.9700 . ?
N4 H4B 0.9700 . ?
N5 C34 1.511(16) . ?
N5 H5A 0.9700 . ?
N5 H5B 0.9700 . ?
N6 C42 1.558(17) . ?
N6 H6A 0.9700 . ?
N6 H6B 0.9700 . ?
O1 C1 1.390(16) . ?
O1 H1 0.9800 . ?
O2 C9 1.430(18) . ?
O2 H2D 0.9800 . ?
O3 C17 1.428(17) . ?
O3 H3 0.9800 . ?
O4 C25 1.395(15) . ?
O4 H4D 0.9800 . ?
O5 C33 1.408(16) . ?
O5 H5D 0.9800 . ?
O6 C41 1.439(17) . ?
O6 H6D 0.9800 . ?
C1 C2 1.516(19) . ?
C1 H1C 0.9700 . ?
C1 H1D 0.9700 . ?
C2 C3 1.49(2) . ?
C2 H2 0.9800 . ?
C3 C4 1.36(3) . ?
C3 C8 1.37(2) . ?
C4 C5 1.36(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.39(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.28(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.40(3) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.58(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.50(2) . ?
C10 H10 0.9800 . ?
C11 C12 1.3900 . ?
C11 C16 1.3900 . ?
C12 C13 1.3900 . ?
C12 H12 0.9300 . ?
C13 C14 1.3900 . ?
C13 H13 0.9300 . ?
C14 C15 1.3900 . ?
C14 H14 0.9300 . ?
C15 C16 1.3900 . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.52(2) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.61(2) . ?
C18 H18 0.9800 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 C21 1.3900 . ?
C20 H20 0.9300 . ?
C21 C22 1.3900 . ?
C21 H21 0.9300 . ?
C22 C23 1.3900 . ?
C22 H22 0.9300 . ?
C23 C24 1.3900 . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.562(19) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.492(19) . ?
C26 H26 0.9800 . ?
C27 C28 1.35(3) . ?
C27 C32 1.35(2) . ?
C28 C29 1.37(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.33(4) . ?
C29 H29 0.9300 . ?
C30 C31 1.33(3) . ?
C30 H30 0.9300 . ?
C31 C32 1.47(3) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.48(2) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.48(2) . ?
C34 H34 0.9800 . ?
C35 C36 1.38(2) . ?
C35 C40 1.42(2) . ?
C36 C37 1.34(3) . ?
C36 H36 0.9300 . ?
C37 C38 1.37(4) . ?
C37 H37 0.9300 . ?
C38 C39 1.36(3) . ?
C38 H38 0.9300 . ?
C39 C40 1.44(3) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C42 1.533(19) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C43 1.484(15) . ?
C42 H42 0.9800 . ?
C43 C44 1.3900 . ?
C43 C48 1.3900 . ?
C44 C45 1.3900 . ?
C44 H44 0.9300 . ?
C45 C46 1.3900 . ?
C45 H45 0.9300 . ?
C46 C47 1.3900 . ?
C46 H46 0.9300 . ?
C47 C48 1.3900 . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
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
O3 Co1 O1 C1 74.1(8) . . . . ?
O2 Co1 O1 C1 161.1(8) . . . . ?
N2 Co1 O1 C1 -111.8(8) . . . . ?
N1 Co1 O1 C1 -17.6(8) . . . . ?
Co2 Co1 O1 C1 117.2(8) . . . . ?
O3 Co1 O1 Co2 -43.0(4) . . . . ?
O2 Co1 O1 Co2 43.9(3) . . . . ?
N2 Co1 O1 Co2 131.1(4) . . . . ?
N1 Co1 O1 Co2 -134.8(4) . . . . ?
O1 Co1 O3 C17 163.8(10) . . . . ?
O2 Co1 O3 C17 77.9(10) . . . . ?
N1 Co1 O3 C17 -109.5(10) . . . . ?
N3 Co1 O3 C17 -13.0(10) . . . . ?
Co2 Co1 O3 C17 120.4(10) . . . . ?
O1 Co1 O3 Co2 43.4(4) . . . . ?
O2 Co1 O3 Co2 -42.4(4) . . . . ?
N1 Co1 O3 Co2 130.2(4) . . . . ?
N3 Co1 O3 Co2 -133.3(5) . . . . ?
N6 Co3 O6 C41 -11.1(8) . . . . ?
O4 Co3 O6 C41 81.6(8) . . . . ?
O5 Co3 O6 C41 168.9(8) . . . . ?
N5 Co3 O6 C41 -103.9(8) . . . . ?
Co2 Co3 O6 C41 125.2(9) . . . . ?
N6 Co3 O6 Co2 -136.2(4) . . . . ?
O4 Co3 O6 Co2 -43.6(3) . . . . ?
O5 Co3 O6 Co2 43.7(3) . . . . ?
N5 Co3 O6 Co2 130.9(4) . . . . ?
Co1 O1 C1 C2 43.9(13) . . . . ?
Co2 O1 C1 C2 135.5(10) . . . . ?
Co1 N1 C2 C3 160.9(10) . . . . ?
Co1 N1 C2 C1 36.1(13) . . . . ?
O1 C1 C2 C3 -178.9(13) . . . . ?
O1 C1 C2 N1 -52.7(15) . . . . ?
N1 C2 C3 C4 -51(2) . . . . ?
C1 C2 C3 C4 69(3) . . . . ?
N1 C2 C3 C8 131.5(16) . . . . ?
C1 C2 C3 C8 -108.9(17) . . . . ?
C8 C3 C4 C5 10(4) . . . . ?
C2 C3 C4 C5 -168(2) . . . . ?
C3 C4 C5 C6 -13(5) . . . . ?
C4 C5 C6 C7 8(6) . . . . ?
C5 C6 C7 C8 1(5) . . . . ?
C4 C3 C8 C7 -2(3) . . . . ?
C2 C3 C8 C7 176.5(16) . . . . ?
C6 C7 C8 C3 -4(3) . . . . ?
Co1 O2 C9 C10 43.7(15) . . . . ?
Co2 O2 C9 C10 134.6(11) . . . . ?
Co1 N2 C10 C11 150.4(12) . . . . ?
Co1 N2 C10 C9 31.8(14) . . . . ?
O2 C9 C10 C11 -168.2(16) . . . . ?
O2 C9 C10 N2 -48.5(17) . . . . ?
N2 C10 C11 C12 -48(2) . . . . ?
C9 C10 C11 C12 67(2) . . . . ?
N2 C10 C11 C16 138.7(14) . . . . ?
C9 C10 C11 C16 -106.6(17) . . . . ?
C16 C11 C12 C13 0.0 . . . . ?
C10 C11 C12 C13 -173(2) . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C15 C16 C11 0.0 . . . . ?
C12 C11 C16 C15 0.0 . . . . ?
C10 C11 C16 C15 174(2) . . . . ?
Co1 O3 C17 C18 38.6(15) . . . . ?
Co2 O3 C17 C18 133.1(12) . . . . ?
Co1 N3 C18 C17 39.5(17) . . . . ?
Co1 N3 C18 C19 155.7(11) . . . . ?
O3 C17 C18 N3 -51.7(18) . . . . ?
O3 C17 C18 C19 -168.4(13) . . . . ?
N3 C18 C19 C20 125.9(13) . . . . ?
C17 C18 C19 C20 -119.0(14) . . . . ?
N3 C18 C19 C24 -59.9(19) . . . . ?
C17 C18 C19 C24 55.2(18) . . . . ?
C24 C19 C20 C21 0.0 . . . . ?
C18 C19 C20 C21 174.5(15) . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C19 0.0 . . . . ?
C20 C19 C24 C23 0.0 . . . . ?
C18 C19 C24 C23 -173.9(16) . . . . ?
Co3 O4 C25 C26 41.6(12) . . . . ?
Co2 O4 C25 C26 135.6(9) . . . . ?
Co3 N4 C26 C27 165.9(9) . . . . ?
Co3 N4 C26 C25 43.2(11) . . . . ?
O4 C25 C26 N4 -56.4(14) . . . . ?
O4 C25 C26 C27 178.9(12) . . . . ?
N4 C26 C27 C28 107.2(19) . . . . ?
C25 C26 C27 C28 -134.0(17) . . . . ?
N4 C26 C27 C32 -65.2(18) . . . . ?
C25 C26 C27 C32 53.6(19) . . . . ?
C32 C27 C28 C29 -10(3) . . . . ?
C26 C27 C28 C29 177(2) . . . . ?
C27 C28 C29 C30 6(5) . . . . ?
C28 C29 C30 C31 -2(4) . . . . ?
C29 C30 C31 C32 2(4) . . . . ?
C28 C27 C32 C31 9(3) . . . . ?
C26 C27 C32 C31 -178.3(16) . . . . ?
C30 C31 C32 C27 -6(3) . . . . ?
Co3 O5 C33 C34 37.0(12) . . . . ?
Co2 O5 C33 C34 129.0(10) . . . . ?
O5 C33 C34 C35 -176.1(11) . . . . ?
O5 C33 C34 N5 -51.2(14) . . . . ?
Co3 N5 C34 C35 166.3(11) . . . . ?
Co3 N5 C34 C33 38.8(12) . . . . ?
C33 C34 C35 C36 -66(3) . . . . ?
N5 C34 C35 C36 172(2) . . . . ?
C33 C34 C35 C40 112(2) . . . . ?
N5 C34 C35 C40 -9(2) . . . . ?
C40 C35 C36 C37 6(4) . . . . ?
C34 C35 C36 C37 -175(3) . . . . ?
C35 C36 C37 C38 -4(6) . . . . ?
C36 C37 C38 C39 1(5) . . . . ?
C37 C38 C39 C40 -2(4) . . . . ?
C36 C35 C40 C39 -7(3) . . . . ?
C34 C35 C40 C39 175(2) . . . . ?
C38 C39 C40 C35 5(4) . . . . ?
Co3 O6 C41 C42 40.5(11) . . . . ?
Co2 O6 C41 C42 137.4(9) . . . . ?
O6 C41 C42 C43 179.6(10) . . . . ?
O6 C41 C42 N6 -55.0(12) . . . . ?
Co3 N6 C42 C43 174.7(9) . . . . ?
Co3 N6 C42 C41 44.5(10) . . . . ?
C41 C42 C43 C44 -113.7(15) . . . . ?
N6 C42 C43 C44 126.3(13) . . . . ?
C41 C42 C43 C48 68.4(18) . . . . ?
N6 C42 C43 C48 -51.6(18) . . . . ?
C48 C43 C44 C45 0.0 . . . . ?
C42 C43 C44 C45 -178.0(15) . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C45 C46 C47 0.0 . . . . ?
C45 C46 C47 C48 0.0 . . . . ?
C46 C47 C48 C43 0.0 . . . . ?
C44 C43 C48 C47 0.0 . . . . ?
C42 C43 C48 C47 177.8(16) . . . . ?
