# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_Co-CDDA
_database_code_depnum_ccdc_archive 'CCDC 2263257'
loop_
_audit_author_name
_audit_author_address
'LIANG ZHAO'
;Dalian University of Technology
China
;
_audit_update_record             
;
2023-05-16 deposited with the CCDC.	2023-08-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C127.34 H83.49 Co5.10 N5.45 O27.44'
_chemical_formula_weight         2429.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   22.6513(19)
_cell_length_b                   22.885(2)
_cell_length_c                   23.624(2)
_cell_angle_alpha                66.092(2)
_cell_angle_beta                 66.236(2)
_cell_angle_gamma                60.926(2)
_cell_volume                     9453.7(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9860
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      23.03

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.853
_exptl_crystal_F_000             2486
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    0.485
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            286896
_diffrn_reflns_av_unetI/netI     0.0654
_diffrn_reflns_av_R_equivalents  0.1033
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.243
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             33235
_reflns_number_gt                19295
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1490P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         33235
_refine_ls_number_parameters     1690
_refine_ls_number_restraints     1690
_refine_ls_R_factor_all          0.1242
_refine_ls_R_factor_gt           0.0819
_refine_ls_wR_factor_ref         0.2681
_refine_ls_wR_factor_gt          0.2523
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_restrained_S_all      1.124
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Co01 Co 0.50310(3) 0.04613(3) 0.63440(3) 0.05004(19) Uani 1 1 d . . . . .
Co02 Co 0.67946(3) -0.03316(4) 0.74142(4) 0.0602(2) Uani 1 1 d . . . . .
Co03 Co 0.52331(3) 0.09272(4) 0.74232(4) 0.0655(2) Uani 1 1 d . . . . .
Co04 Co 0.53685(3) 0.18678(4) 0.58194(4) 0.0676(2) Uani 1 1 d . . . . .
Co05 Co 0.55331(4) -0.05724(5) 0.86877(4) 0.0816(3) Uani 1 1 d . . . . .
O006 O -0.42565(14) 0.94933(16) 0.67789(16) 0.0579(9) Uani 1 1 d . U . . .
O007 O -0.32794(14) 0.96519(16) 0.65108(16) 0.0564(8) Uani 1 1 d . U . . .
O008 O 0.54794(14) 0.09693(16) 0.65000(17) 0.0587(9) Uani 1 1 d . . . . .
H008 H 0.599252 0.068421 0.639400 0.088 Uiso 1 1 calc R U . . .
O009 O 0.57838(15) 0.03816(18) 0.54772(17) 0.0607(9) Uani 1 1 d . U . . .
O00A O 0.57261(14) -0.00924(18) 0.77553(16) 0.0611(9) Uani 1 1 d . . . . .
H00A H 0.562014 -0.031931 0.754513 0.092 Uiso 1 1 calc R U . . .
O00B O 0.00278(15) 0.54305(16) 0.61180(18) 0.0604(9) Uani 1 1 d . U . . .
O00C O 1.06618(17) -0.1331(2) -0.04422(17) 0.0696(10) Uani 1 1 d . U . . .
O00D O 0.43819(16) 0.22889(18) 0.57785(18) 0.0667(9) Uani 1 1 d . U . . .
N00E N -0.09811(16) 0.46169(18) 0.57276(18) 0.0451(9) Uani 1 1 d . U . . .
N00F N 0.95515(18) -0.0633(2) 0.11651(17) 0.0511(10) Uani 1 1 d . U . . .
O00G O 0.46423(18) -0.0159(2) 0.6266(2) 0.0838(12) Uani 1 1 d . U . . .
O00H O 0.69796(17) 0.86339(19) 0.77327(19) 0.0700(10) Uani 1 1 d . U . . .
O00I O 0.58670(19) 0.1419(2) 0.50809(19) 0.0823(12) Uani 1 1 d . U . . .
O00J O 0.78308(19) -0.0497(2) 0.6955(2) 0.0895(13) Uani 1 1 d . . . . .
H00B H 0.823625 -0.093717 0.685670 0.134 Uiso 1 1 d R U . . .
H00C H 0.807030 -0.016101 0.677981 0.134 Uiso 1 1 d R U . . .
O00K O 0.42478(16) 0.1314(2) 0.59853(19) 0.0735(11) Uani 1 1 d . U . . .
O00L O 0.66028(18) 0.0728(2) 0.71007(19) 0.0728(10) Uani 1 1 d . U . . .
O00M O 0.43329(17) 0.0492(2) 0.7268(2) 0.0699(14) Uani 0.816(3) 1 d D U P A 1
O00N O 0.6170(2) -0.0639(3) -0.0870(2) 0.0937(13) Uani 1 1 d . U . . .
O00O O 0.6917(2) -0.0319(2) -0.1773(2) 0.0860(12) Uani 1 1 d . U . . .
O00P O 0.6105(2) 0.8451(2) 0.8552(2) 0.0941(13) Uani 1 1 d . U . . .
C00Q C 0.9206(2) -0.0726(2) 0.0871(2) 0.0452(11) Uani 1 1 d . U . . .
C00R C -0.1016(2) 0.5565(2) 0.5979(2) 0.0470(11) Uani 1 1 d . U . . .
C00S C -0.2145(2) 0.7775(3) 0.5953(2) 0.0562(13) Uani 1 1 d . U . . .
H00S H -0.166532 0.764286 0.572699 0.067 Uiso 1 1 calc R U . . .
C00T C 1.0642(2) -0.0956(2) 0.0365(2) 0.0469(11) Uani 1 1 d . U . . .
C00U C -0.2500(2) 0.8416(2) 0.6065(2) 0.0524(12) Uani 1 1 d . U . . .
H00U H -0.226511 0.872169 0.590780 0.063 Uiso 1 1 calc R U . . .
C00V C -0.3198(2) 0.8627(2) 0.6405(2) 0.0498(11) Uani 1 1 d . U . . .
C00W C 1.0250(2) -0.0717(2) 0.0907(2) 0.0493(11) Uani 1 1 d . U . . .
C00X C 0.9584(2) -0.0958(2) 0.0304(2) 0.0472(11) Uani 1 1 d . U . . .
C00Y C -0.2086(2) 0.6610(2) 0.6065(2) 0.0489(11) Uani 1 1 d . U . . .
C00Z C -0.2465(2) 0.7305(2) 0.6161(2) 0.0476(11) Uani 1 1 d . U . . .
O010 O 0.56179(18) 0.1340(3) 0.7699(3) 0.1081(17) Uani 1 1 d . U . . .
C011 C -0.1340(2) 0.5255(2) 0.5855(2) 0.0474(11) Uani 1 1 d . U . . .
O012 O 0.4212(3) 0.1344(3) 0.7632(3) 0.082(2) Uani 0.816(3) 1 d D U P A 1
C013 C 0.0086(2) 0.4536(2) 0.5824(2) 0.0443(10) Uani 1 1 d . U . . .
C014 C -0.0281(2) 0.4262(2) 0.5698(2) 0.0470(11) Uani 1 1 d . U . . .
C015 C 0.1917(2) 0.3121(2) 0.5669(2) 0.0510(11) Uani 1 1 d . U . . .
N016 N 0.8835(2) 0.3365(2) 0.7897(2) 0.0701(12) Uani 1 1 d . U . . .
C017 C -0.0276(2) 0.5195(2) 0.5984(2) 0.0475(11) Uani 1 1 d . U . . .
C018 C -0.1385(2) 0.6218(2) 0.6077(2) 0.0493(11) Uani 1 1 d . U . . .
H018 H -0.114975 0.641384 0.615698 0.059 Uiso 1 1 calc R U . . .
C019 C 0.3304(2) 0.2362(2) 0.5755(2) 0.0515(12) Uani 1 1 d . U . . .
C01A C -0.1359(2) 0.4289(2) 0.5669(2) 0.0479(11) Uani 1 1 d . U . . .
C01B C 1.0321(2) -0.1099(2) 0.0040(2) 0.0485(11) Uani 1 1 d . U . . .
C01C C 0.0790(2) 0.4148(2) 0.5812(2) 0.0464(11) Uani 1 1 d . U . . .
H01C H 0.102325 0.432659 0.591510 0.056 Uiso 1 1 calc R U . . .
C01D C 1.1350(2) -0.1055(3) 0.0135(2) 0.0565(12) Uani 1 1 d . U . . .
H01D H 1.162480 -0.123956 -0.022643 0.068 Uiso 1 1 calc R U . . .
C01E C -0.3592(2) 0.9308(2) 0.6559(2) 0.0485(11) Uani 1 1 d . U . . .
C01F C 0.0803(2) 0.3266(2) 0.5530(2) 0.0508(12) Uani 1 1 d . U . . .
H01F H 0.104967 0.283276 0.542725 0.061 Uiso 1 1 calc R U . . .
C01G C -0.2408(2) 0.6276(2) 0.5972(2) 0.0510(12) Uani 1 1 d . U . . .
H01G H -0.288972 0.650957 0.598050 0.061 Uiso 1 1 calc R U . . .
C01H C 0.1169(2) 0.3522(2) 0.5659(2) 0.0465(11) Uani 1 1 d . U . . .
C01I C -0.1403(2) 0.4350(2) 0.5097(2) 0.0505(11) Uani 1 1 d . U . . .
H01I H -0.117235 0.459751 0.471534 0.061 Uiso 1 1 calc R U . . .
C01J C 0.0096(2) 0.3610(2) 0.5543(2) 0.0499(11) Uani 1 1 d . U . . .
H01J H -0.013017 0.341549 0.545006 0.060 Uiso 1 1 calc R U . . .
C01K C 1.1661(2) -0.0895(3) 0.0415(3) 0.0593(13) Uani 1 1 d . U . . .
O01L O 0.67529(18) 0.4414(2) 0.8009(3) 0.1215(19) Uani 1 1 d . U . . .
C01M C -0.3529(2) 0.8170(3) 0.6612(2) 0.0549(12) Uani 1 1 d . U . . .
H01M H -0.400927 0.830667 0.683720 0.066 Uiso 1 1 calc R U . . .
C01N C 0.8510(2) -0.0891(3) 0.0232(2) 0.0572(12) Uani 1 1 d . U . . .
C01O C 0.9204(2) -0.1014(2) -0.0007(2) 0.0530(12) Uani 1 1 d . U . . .
H01O H 0.944308 -0.114233 -0.039957 0.064 Uiso 1 1 calc R U . . .
C01P C -0.1797(2) 0.4041(2) 0.5067(3) 0.0553(12) Uani 1 1 d . U . . .
H01P H -0.181476 0.406677 0.466241 0.066 Uiso 1 1 calc R U . . .
C01Q C 0.8504(2) -0.0634(3) 0.1128(2) 0.0558(12) Uani 1 1 d . U . . .
H01Q H 0.825424 -0.051184 0.152278 0.067 Uiso 1 1 calc R U . . .
C01R C 0.8705(2) -0.0710(3) 0.2886(2) 0.0578(13) Uani 1 1 d . U . . .
H01R H 0.872214 -0.104945 0.328589 0.069 Uiso 1 1 calc R U . . .
C01S C 0.8077(3) -0.0877(3) -0.0131(3) 0.0638(14) Uani 1 1 d . U . . .
C01T C -0.2157(2) 0.3704(3) 0.5623(3) 0.0600(13) Uani 1 1 d . U . . .
C01U C 0.7739(2) 0.3391(3) 0.7943(3) 0.0662(14) Uani 1 1 d . U . . .
C01V C -0.2059(2) 0.5628(2) 0.5869(2) 0.0528(12) Uani 1 1 d . U . . .
H01V H -0.230205 0.542725 0.580748 0.063 Uiso 1 1 calc R U . . .
C01W C 0.9148(2) -0.0414(3) 0.1760(2) 0.0514(12) Uani 1 1 d . U . . .
C01X C 0.8236(2) -0.0036(3) 0.2873(2) 0.0587(13) Uani 1 1 d . U . . .
C01Y C 1.1256(2) -0.0663(3) 0.0956(2) 0.0594(13) Uani 1 1 d . U . . .
H01Y H 1.146756 -0.057026 0.116752 0.071 Uiso 1 1 calc R U . . .
C01Z C 0.9153(2) -0.0901(3) 0.2325(2) 0.0557(12) Uani 1 1 d . U . . .
H01Z H 0.945874 -0.137117 0.233925 0.067 Uiso 1 1 calc R U . . .
C020 C 0.2252(2) 0.2442(2) 0.5672(2) 0.0562(12) Uani 1 1 d . U . . .
H020 H 0.200986 0.221436 0.564790 0.067 Uiso 1 1 calc R U . . .
C021 C 0.7845(2) -0.0613(3) -0.1126(3) 0.0634(14) Uani 1 1 d . U . . .
H021 H 0.799364 -0.050895 -0.158051 0.076 Uiso 1 1 calc R U . . .
C022 C -0.3174(2) 0.7523(2) 0.6496(2) 0.0548(12) Uani 1 1 d . U . . .
H022 H -0.341246 0.722184 0.664543 0.066 Uiso 1 1 calc R U . . .
C023 C 0.8431(2) 0.2025(3) 0.7849(3) 0.0679(14) Uani 1 1 d . U . . .
H023 H 0.867529 0.156060 0.781763 0.081 Uiso 1 1 calc R U . . .
C024 C 0.8177(2) -0.0719(3) 0.0816(2) 0.0603(13) Uani 1 1 d . U . . .
H024 H 0.769989 -0.065800 0.100268 0.072 Uiso 1 1 calc R U . . .
C025 C 0.6058(2) 0.0813(3) 0.5066(3) 0.0604(13) Uani 1 1 d . U . . .
C026 C 0.6628(3) 0.0569(3) 0.4523(2) 0.0625(13) Uani 1 1 d . U . . .
C028 C 1.0564(2) -0.0560(3) 0.1203(2) 0.0566(12) Uani 1 1 d . U . . .
H028 H 1.029811 -0.038477 0.157049 0.068 Uiso 1 1 calc R U . . .
C02A C 0.9582(3) 0.3005(3) 0.7857(3) 0.0648(14) Uani 1 1 d . U . . .
C02B C 0.9790(3) 0.2740(3) 0.8426(3) 0.0696(15) Uani 1 1 d . U . . .
H02B H 0.945648 0.277226 0.882797 0.083 Uiso 1 1 calc R U . . .
C02C C 0.6876(3) -0.0085(3) 0.4463(3) 0.0660(14) Uani 1 1 d . U . . .
H02C H 0.667869 -0.040406 0.478459 0.079 Uiso 1 1 calc R U . . .
C02D C 0.2940(2) 0.2074(3) 0.5711(3) 0.0600(13) Uani 1 1 d . U . . .
H02D H 0.315893 0.160117 0.570538 0.072 Uiso 1 1 calc R U . . .
C02E C 0.4031(2) 0.1956(3) 0.5838(3) 0.0564(12) Uani 1 1 d . U . . .
C02F C 0.2986(2) 0.3054(3) 0.5735(3) 0.0664(14) Uani 1 1 d . U . . .
H02F H 0.323667 0.327514 0.575556 0.080 Uiso 1 1 calc R U . . .
C02G C 0.8285(3) 0.0465(3) 0.2283(3) 0.0666(14) Uani 1 1 d . U . . .
H02G H 0.800077 0.094018 0.226523 0.080 Uiso 1 1 calc R U . . .
C02H C 0.7393(2) 0.3029(3) 0.7929(3) 0.0645(14) Uani 1 1 d . U . . .
H02H H 0.690483 0.326078 0.796441 0.077 Uiso 1 1 calc R U . . .
C02I C 0.6642(2) 0.1432(3) 0.7608(3) 0.0693(15) Uani 1 1 d . U . . .
C02J C -0.1710(2) 0.3937(3) 0.6235(3) 0.0628(13) Uani 1 1 d . U . . .
H02J H -0.168642 0.390405 0.663979 0.075 Uiso 1 1 calc R U . . .
C02K C 0.8270(2) -0.0712(3) -0.0792(3) 0.0613(13) Uani 1 1 d . U . . .
H02K H 0.870647 -0.066593 -0.101848 0.074 Uiso 1 1 calc R U . . .
C02L C 0.7370(3) 0.1167(3) 0.7442(3) 0.0755(16) Uani 1 1 d . U . . .
H02L H 0.762857 0.078098 0.726302 0.091 Uiso 1 1 calc R U . . .
C02M C 0.7352(2) 0.2034(3) 0.7787(2) 0.0580(13) Uani 1 1 d . U . . .
C02N C 1.0507(2) 0.2425(3) 0.8378(3) 0.0667(14) Uani 1 1 d . U . . .
H02N H 1.066774 0.224547 0.875230 0.080 Uiso 1 1 calc R U . . .
C02O C 0.6291(2) 0.1967(3) 0.7885(3) 0.0728(16) Uani 1 1 d . U . . .
H02O H 0.579535 0.213839 0.802178 0.087 Uiso 1 1 calc R U . . .
C02P C 0.7715(2) 0.1456(3) 0.7534(3) 0.0710(15) Uani 1 1 d . U . . .
H02P H 0.821158 0.126329 0.742510 0.085 Uiso 1 1 calc R U . . .
C02Q C 0.7922(3) 0.6607(3) 0.7648(3) 0.0716(15) Uani 1 1 d . U . . .
H02Q H 0.837989 0.643906 0.738193 0.086 Uiso 1 1 calc R U . . .
C02R C 0.8740(3) 0.0275(3) 0.1732(2) 0.0628(13) Uani 1 1 d . U . . .
H02R H 0.877161 0.061613 0.133432 0.075 Uiso 1 1 calc R U . . .
C02S C 0.7714(2) 0.2362(3) 0.7867(2) 0.0583(13) Uani 1 1 d . U . . .
C02T C 0.2307(2) 0.3429(3) 0.5685(3) 0.0665(15) Uani 1 1 d . U . . .
H02T H 0.210080 0.390961 0.566067 0.080 Uiso 1 1 calc R U . . .
C02U C 0.7635(3) 0.7269(3) 0.7687(3) 0.0735(15) Uani 1 1 d . U . . .
H02U H 0.788886 0.756024 0.743845 0.088 Uiso 1 1 calc R U . . .
C02V C 0.6958(3) 0.7534(3) 0.8097(3) 0.0702(15) Uani 1 1 d . U . . .
C02W C 0.7706(3) 0.0169(3) 0.3462(3) 0.0648(14) Uani 1 1 d . U . . .
C02X C 0.6956(3) 0.1027(3) 0.4060(3) 0.0776(17) Uani 1 1 d . U . . .
H02X H 0.680809 0.147289 0.411085 0.093 Uiso 1 1 calc R U . . .
C02Y C -0.2590(3) 0.3395(3) 0.5606(3) 0.0655(14) Uani 1 1 d . U . . .
C02Z C -0.2086(3) 0.3644(3) 0.6196(3) 0.0662(14) Uani 1 1 d . U . . .
H02Z H -0.230768 0.338949 0.657973 0.079 Uiso 1 1 calc R U . . .
C030 C 0.7190(3) -0.0664(3) -0.0809(3) 0.0651(14) Uani 1 1 d . U . . .
C031 C 0.6654(3) 0.8266(3) 0.8127(3) 0.0677(15) Uani 1 1 d . U . . .
C032 C 0.6623(2) 0.2258(3) 0.7969(3) 0.0671(14) Uani 1 1 d . U . . .
H032 H 0.635409 0.263391 0.816148 0.081 Uiso 1 1 calc R U . . .
O033 O 1.4610(3) -0.0642(4) -0.1375(4) 0.120(2) Uani 0.816(3) 1 d . U P A 1
C034 C 0.7375(3) 0.4093(3) 0.7975(3) 0.0821(17) Uani 1 1 d . U . . .
C035 C 0.7449(3) -0.0944(3) 0.0179(3) 0.0790(17) Uani 1 1 d . U . . .
H035 H 0.730640 -0.105943 0.063378 0.095 Uiso 1 1 calc R U . . .
C036 C 0.8784(3) 0.2359(3) 0.7877(3) 0.0739(16) Uani 1 1 d . U . . .
H036 H 0.926367 0.211183 0.787733 0.089 Uiso 1 1 calc R U . . .
C037 C 0.0992(3) 0.2373(3) 0.7782(3) 0.0750(16) Uani 1 1 d . U . . .
C038 C 0.1766(3) 0.1997(3) 0.7712(3) 0.0517(14) Uani 0.816(3) 1 d . U P A 1
C03A C 0.7403(3) -0.0289(3) 0.3948(3) 0.0671(14) Uani 1 1 d . U . . .
H03A H 0.756724 -0.074732 0.391797 0.081 Uiso 1 1 calc R U . . .
C03B C 0.3195(3) 0.1360(3) 0.7576(3) 0.0570(15) Uani 0.816(3) 1 d . U P A 1
C03C C 0.6727(3) -0.0531(3) -0.1179(3) 0.0751(16) Uani 1 1 d . U . . .
C03D C 0.8469(2) 0.3029(3) 0.7905(3) 0.0633(14) Uani 1 1 d . U . . .
C03F C 0.2788(3) 0.1817(4) 0.7942(3) 0.0558(17) Uani 0.816(3) 1 d . U P A 1
H03F H 0.299534 0.192854 0.814263 0.067 Uiso 0.816(3) 1 calc R U P A 1
C03G C 0.7011(3) -0.0845(3) -0.0161(3) 0.0766(16) Uani 1 1 d . U . . .
H03G H 0.658149 -0.090524 0.006677 0.092 Uiso 1 1 calc R U . . .
O03H O 1.4748(3) -0.0801(4) -0.0460(5) 0.119(2) Uani 0.816(3) 1 d . U P A 1
C03I C 0.7490(3) 0.0829(3) 0.3536(3) 0.0792(17) Uani 1 1 d . U . . .
H03I H 0.770799 0.113711 0.322794 0.095 Uiso 1 1 calc R U . . .
C03J C 0.6273(3) 0.1125(3) 0.7460(3) 0.0816(17) Uani 1 1 d . U . . .
O03K O -0.4328(3) 0.2732(4) 0.5485(5) 0.191(3) Uani 1 1 d . U . . .
C03L C 0.8599(3) 0.5083(3) 0.7884(4) 0.093(2) Uani 1 1 d . U . . .
H03L H 0.887094 0.531037 0.785557 0.112 Uiso 1 1 calc R U . . .
C03M C 0.7805(3) 0.4442(3) 0.7949(3) 0.0839(18) Uani 1 1 d . U . . .
C03N C 0.7572(3) 0.6176(3) 0.7980(3) 0.0863(18) Uani 1 1 d . U . . .
C03O C 0.4991(4) -0.0545(4) 0.5927(4) 0.0923(19) Uani 1 1 d . U . . .
H03O H 0.533025 -0.040654 0.556881 0.111 Uiso 1 1 calc R U . . .
C03P C 1.0037(3) 0.2956(3) 0.7291(3) 0.0791(17) Uani 1 1 d . U . . .
H03P H 0.987466 0.314199 0.691644 0.095 Uiso 1 1 calc R U . . .
C03Q C 0.7882(3) 0.5449(3) 0.7949(3) 0.0854(18) Uani 1 1 d . U . . .
N03R N 0.4979(3) -0.1097(4) 0.5968(4) 0.1047(18) Uani 1 1 d D U . . .
C03S C 0.2071(3) 0.2121(3) 0.8022(3) 0.0560(15) Uani 0.816(3) 1 d . U P A 1
H03S H 0.178671 0.242094 0.829773 0.067 Uiso 0.816(3) 1 calc R U P A 1
C03T C 0.2195(3) 0.1548(4) 0.7327(3) 0.0631(16) Uani 0.816(3) 1 d . U P A 1
H03T H 0.200155 0.146100 0.709310 0.076 Uiso 0.816(3) 1 calc R U P A 1
C03U C 0.2902(3) 0.1225(3) 0.7280(3) 0.0571(15) Uani 0.816(3) 1 d . U P A 1
H03U H 0.318784 0.089834 0.703057 0.068 Uiso 0.816(3) 1 calc R U P A 1
C03V C 0.8523(3) 0.4050(3) 0.7915(3) 0.0760(16) Uani 1 1 d . U . . .
C03W C 0.8921(3) 0.4408(3) 0.7861(4) 0.094(2) Uani 1 1 d . U . . .
H03W H 0.941191 0.417532 0.780992 0.113 Uiso 1 1 calc R U . . .
C03Y C 0.6604(3) 0.7114(4) 0.8443(4) 0.098(2) Uani 1 1 d . U . . .
H03Y H 0.615691 0.727596 0.872739 0.118 Uiso 1 1 calc R U . . .
C03Z C 0.0752(3) 0.2631(3) 0.7245(3) 0.0825(19) Uani 1 1 d . U . . .
H03Z H 0.107564 0.258814 0.684022 0.099 Uiso 1 1 calc R U . . .
O040 O -0.3611(3) 0.1803(4) 0.5804(4) 0.180(3) Uani 1 1 d . U . . .
C041 C 0.7511(3) 0.5118(3) 0.7966(3) 0.0859(18) Uani 1 1 d . U . . .
H041 H 0.702597 0.536724 0.799112 0.103 Uiso 1 1 calc R U . . .
C042 C 1.4416(4) -0.0773(5) -0.0822(7) 0.093(3) Uani 0.816(3) 1 d D U P A 1
C043 C -0.3875(5) 0.2414(5) 0.5679(5) 0.131(3) Uani 1 1 d . U . . .
C045 C 1.3732(2) -0.0881(4) -0.0463(3) 0.082(2) Uani 0.816(3) 1 d DG U P A 1
C04A C 1.3433(2) -0.0925(4) 0.0187(3) 0.082(2) Uani 0.816(3) 1 d G U P A 1
H04A H 1.367697 -0.092966 0.043666 0.098 Uiso 0.816(3) 1 calc R U P A 1
C03X C 1.2779(3) -0.0963(4) 0.0473(2) 0.073(2) Uani 0.816(3) 1 d G U P A 1
H03X H 1.257485 -0.099278 0.091801 0.087 Uiso 0.816(3) 1 calc R U P A 1
C029 C 1.2422(3) -0.0956(5) 0.0109(3) 0.064(2) Uani 0.816(3) 1 d G U P A 1
C03E C 1.2720(3) -0.0912(5) -0.0542(3) 0.078(2) Uani 0.816(3) 1 d G U P A 1
H03E H 1.247679 -0.090740 -0.079092 0.093 Uiso 0.816(3) 1 calc R U P A 1
C044 C 1.3375(3) -0.0874(4) -0.0828(2) 0.085(3) Uani 0.816(3) 1 d G U P A 1
H044 H 1.357891 -0.084428 -0.127228 0.102 Uiso 0.816(3) 1 calc R U P A 1
C046 C 0.3998(3) 0.1027(4) 0.7472(3) 0.0749(19) Uani 0.816(3) 1 d . U P A 1
O048 O 1.0606(4) -0.0263(4) 0.2483(4) 0.206(4) Uani 1 1 d . . . . .
C049 C 0.6894(3) 0.6451(4) 0.8383(4) 0.108(2) Uani 1 1 d . U . . .
H049 H 0.663333 0.616484 0.861932 0.130 Uiso 1 1 calc R U . . .
C04B C -0.3391(3) 0.2758(4) 0.5640(4) 0.0943(19) Uani 1 1 d . U . . .
O04C O 0.4898(3) 0.0540(4) 0.8732(5) 0.146(3) Uani 0.816(3) 1 d . U P A 1
O04D O 0.4882(3) 0.2253(4) 0.6739(4) 0.116(3) Uani 0.626(7) 1 d . U P B 1
C04E C -0.2958(4) 0.3746(5) 0.5106(4) 0.075(2) Uani 0.732(5) 1 d . U P C 1
H04E H -0.292714 0.415881 0.479237 0.090 Uiso 0.732(5) 1 calc R U P C 1
C04F C -0.2639(4) 0.2822(5) 0.6012(4) 0.074(2) Uani 0.732(5) 1 d . U P C 1
H04F H -0.240199 0.262024 0.633951 0.089 Uiso 0.732(5) 1 calc R U P C 1
C04G C -0.3372(4) 0.3421(5) 0.5123(5) 0.092(3) Uani 0.732(5) 1 d . U P C 1
H04G H -0.363172 0.361754 0.481417 0.111 Uiso 0.732(5) 1 calc R U P C 1
C04H C -0.2993(5) 0.2483(5) 0.6016(5) 0.091(2) Uani 0.732(5) 1 d . U P C 1
H04H H -0.294552 0.203643 0.630111 0.110 Uiso 0.732(5) 1 calc R U P C 1
C04M C 0.5378(5) -0.1557(6) 0.5589(5) 0.182(4) Uani 1 1 d D U . . .
H04B H 0.512242 -0.146971 0.529405 0.273 Uiso 1 1 calc R U . . .
H04C H 0.547633 -0.203245 0.586140 0.273 Uiso 1 1 calc R U . . .
H04D H 0.581954 -0.149475 0.534215 0.273 Uiso 1 1 calc R U . . .
C04Y C 0.4516(6) -0.1402(6) 0.6494(6) 0.179(4) Uani 1 1 d . U . . .
H04I H 0.473268 -0.168332 0.685280 0.269 Uiso 1 1 calc R U . . .
H04J H 0.442782 -0.169599 0.635516 0.269 Uiso 1 1 calc R U . . .
H04K H 0.407212 -0.103391 0.663119 0.269 Uiso 1 1 calc R U . . .
N7 N 0.4012(8) 0.3017(8) 0.7215(9) 0.172(6) Uani 0.626(7) 1 d . U P B 1
C0AA C 0.4453(12) 0.3163(8) 0.7379(11) 0.222(10) Uani 0.626(7) 1 d D U P B 1
H0AA H 0.464099 0.277876 0.772605 0.333 Uiso 0.626(7) 1 calc R U P B 1
H0AB H 0.418535 0.359029 0.751936 0.333 Uiso 0.626(7) 1 calc R U P B 1
H0AC H 0.483964 0.321987 0.700346 0.333 Uiso 0.626(7) 1 calc R U P B 1
C15 C 0.4289(8) 0.2636(8) 0.6854(8) 0.164(6) Uani 0.626(7) 1 d D U P B 1
C29 C 0.3307(11) 0.3414(10) 0.7360(12) 0.247(11) Uani 0.626(7) 1 d . U P B 1
H29A H 0.311281 0.350519 0.701533 0.370 Uiso 0.626(7) 1 calc R U P B 1
H29B H 0.323306 0.385406 0.740389 0.370 Uiso 0.626(7) 1 calc R U P B 1
H29C H 0.307255 0.316530 0.776337 0.370 Uiso 0.626(7) 1 calc R U P B 1
C3 C -0.2391(11) 0.2973(13) 0.5275(12) 0.085(5) Uani 0.268(5) 1 d . U P C 2
H3 H -0.193606 0.288855 0.499202 0.103 Uiso 0.268(5) 1 calc R U P C 2
C4 C 0.1633(6) 0.2347(9) 0.7984(8) 0.042(4) Uani 0.184(3) 1 d G U P A 2
C17 C 0.1757(6) 0.2493(8) 0.8432(7) 0.044(5) Uani 0.184(3) 1 d G U P A 2
H17 H 0.137718 0.274861 0.871796 0.053 Uiso 0.184(3) 1 calc R U P A 2
C8 C 0.2438(7) 0.2265(9) 0.8461(7) 0.046(5) Uani 0.184(3) 1 d G U P A 2
H8 H 0.252378 0.236456 0.876774 0.055 Uiso 0.184(3) 1 calc R U P A 2
C16 C 0.2995(5) 0.1891(10) 0.8043(9) 0.048(5) Uani 0.184(3) 1 d G U P A 2
C44 C 0.2870(7) 0.1744(10) 0.7595(9) 0.055(5) Uani 0.184(3) 1 d G U P A 2
H44 H 0.325010 0.148872 0.730883 0.066 Uiso 0.184(3) 1 calc R U P A 2
C96 C 0.2189(8) 0.1973(10) 0.7565(8) 0.049(4) Uani 0.184(3) 1 d G U P A 2
H96 H 0.210350 0.187277 0.725904 0.059 Uiso 0.184(3) 1 calc R U P A 2
C5 C -0.3188(12) 0.3283(12) 0.6200(11) 0.074(4) Uani 0.268(5) 1 d . U P C 2
H5 H -0.327012 0.340600 0.657153 0.089 Uiso 0.268(5) 1 calc R U P C 2
C6 C -0.3611(13) 0.3001(13) 0.6191(12) 0.082(4) Uani 0.268(5) 1 d . U P C 2
H6 H -0.401482 0.297196 0.652761 0.099 Uiso 0.268(5) 1 calc R U P C 2
C7 C -0.2739(11) 0.2632(13) 0.5275(12) 0.082(4) Uani 0.268(5) 1 d . U P C 2
H7 H -0.252439 0.231232 0.502190 0.099 Uiso 0.268(5) 1 calc R U P C 2
O30 O 0.3756(14) 0.1876(19) 0.8449(16) 0.140(10) Uani 0.184(3) 1 d D U P A 2
C49 C 0.3753(14) 0.1561(18) 0.8148(16) 0.072(5) Uani 0.184(3) 1 d . U P A 2
Co1 Co 1.500000 0.000000 0.000000 0.086(3) Uani 0.184(3) 2 d S . P A 2
O112 O 0.4340(16) 0.1076(16) 0.7890(16) 0.094(8) Uani 0.184(3) 1 d D U P A 2
N1AA N 0.4539(6) 0.1319(8) 0.9182(6) 0.161(4) Uani 0.816(3) 1 d . U P A 1
C21 C 0.4517(9) 0.1837(9) 0.9555(9) 0.253(8) Uani 0.816(3) 1 d . U P A 1
H21A H 0.415102 0.229755 0.945784 0.380 Uiso 0.816(3) 1 calc R U P A 1
H21B H 0.441731 0.163149 1.001975 0.380 Uiso 0.816(3) 1 calc R U P A 1
H21C H 0.497084 0.187673 0.940230 0.380 Uiso 0.816(3) 1 calc R U P A 1
C62 C 0.3948(8) 0.1730(9) 0.8837(8) 0.240(9) Uani 0.816(3) 1 d . U P A 1
H62A H 0.349572 0.178401 0.915423 0.361 Uiso 0.816(3) 1 calc R U P A 1
H62B H 0.401316 0.147955 0.854996 0.361 Uiso 0.816(3) 1 calc R U P A 1
H62C H 0.395937 0.218789 0.858587 0.361 Uiso 0.816(3) 1 calc R U P A 1
C2AA C 0.4885(8) 0.0800(10) 0.9210(8) 0.181(6) Uani 0.816(3) 1 d . U P A 1
H2AA H 0.515888 0.053047 0.951238 0.217 Uiso 0.816(3) 1 calc R U P A 1
O64 O 1.4524(11) -0.0552(15) 0.0053(14) 0.106(6) Uani 0.184(3) 1 d . U P A 2
C0 C 1.2364(13) -0.089(2) 0.0288(16) 0.073(7) Uani 0.184(3) 1 d G U P A 2
C4AA C 1.2653(13) -0.090(2) 0.0718(12) 0.067(6) Uani 0.184(3) 1 d G U P A 2
H4AA H 1.240074 -0.093115 0.115436 0.080 Uiso 0.184(3) 1 calc R U P A 2
C3AA C 1.3312(12) -0.0880(18) 0.0508(12) 0.086(7) Uani 0.184(3) 1 d G U P A 2
H3AA H 1.350924 -0.089256 0.080081 0.103 Uiso 0.184(3) 1 calc R U P A 2
C2 C 1.3681(11) -0.0839(18) -0.0132(12) 0.074(5) Uani 0.184(3) 1 d DG U P A 2
C1 C 1.3393(14) -0.082(2) -0.0561(11) 0.072(6) Uani 0.184(3) 1 d G U P A 2
H1 H 1.364510 -0.079342 -0.099750 0.086 Uiso 0.184(3) 1 calc R U P A 2
C1AA C 1.2734(14) -0.084(2) -0.0351(15) 0.073(6) Uani 0.184(3) 1 d G U P A 2
H1AA H 1.253660 -0.083200 -0.064397 0.088 Uiso 0.184(3) 1 calc R U P A 2
C9 C 1.4364(16) -0.074(2) -0.037(3) 0.094(6) Uani 0.184(3) 1 d D U P A 2
O0 O 1.4674(14) -0.0684(18) -0.089(2) 0.090(6) Uani 0.184(3) 1 d . U P A 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
Co01 O00K 2.045(3) . ?
Co01 O008 2.077(3) . ?
Co01 O009 2.078(3) . ?
Co01 O00G 2.094(4) . ?
Co01 O00M 2.122(4) . ?
Co01 O006 2.141(3) 1_645 ?
Co02 O00H 2.048(4) 1_545 ?
Co02 O00O 2.061(4) 1_556 ?
Co02 O00J 2.061(4) . ?
Co02 O00A 2.075(3) . ?
Co02 O00L 2.098(4) . ?
Co02 O007 2.223(3) 1_645 ?
Co03 O112 1.81(3) . ?
Co03 O012 1.955(5) . ?
Co03 O010 1.959(4) . ?
Co03 O008 1.995(3) . ?
Co03 O00A 1.999(4) . ?
Co04 O00D 1.984(3) . ?
Co04 O008 2.005(4) . ?
Co04 O00I 2.027(4) . ?
Co04 O03K 2.151(7) 1_655 ?
Co04 O040 2.230(5) 1_655 ?
Co04 O04D 2.321(7) . ?
Co04 C043 2.429(9) 1_655 ?
Co05 O0 1.89(3) 1_456 ?
Co05 O00A 1.995(4) . ?
Co05 O00N 2.017(4) 1_556 ?
Co05 O00P 2.052(5) 1_545 ?
Co05 O03H 2.158(8) 1_456 ?
Co05 O033 2.238(6) 1_456 ?
Co05 O04C 2.258(7) . ?
Co05 C042 2.508(8) 1_456 ?
O006 C01E 1.282(5) . ?
O007 C01E 1.241(5) . ?
O008 H008 1.0000 . ?
O009 C025 1.279(6) . ?
O00A H00A 1.0000 . ?
O00B C017 1.241(5) . ?
O00C C01B 1.249(5) . ?
O00D C02E 1.282(6) . ?
N00E C014 1.372(5) . ?
N00E C011 1.373(5) . ?
N00E C01A 1.458(5) . ?
N00F C00Q 1.365(5) . ?
N00F C00W 1.390(5) . ?
N00F C01W 1.466(6) . ?
O00G C03O 1.197(7) . ?
O00H C031 1.239(6) . ?
O00I C025 1.248(6) . ?
O00J H00B 1.0155 . ?
O00J H00C 1.0111 . ?
O00K C02E 1.242(6) . ?
O00L C03J 1.247(6) . ?
O00M C046 1.260(8) . ?
O00N C03C 1.264(6) . ?
O00O C03C 1.247(7) . ?
O00P C031 1.248(6) . ?
C00Q C01Q 1.394(6) . ?
C00Q C00X 1.421(6) . ?
C00R C018 1.375(6) . ?
C00R C011 1.409(6) . ?
C00R C017 1.466(6) . ?
C00S C00U 1.365(6) . ?
C00S C00Z 1.402(6) . ?
C00S H00S 0.9500 . ?
C00T C00W 1.380(6) . ?
C00T C01D 1.401(6) . ?
C00T C01B 1.453(6) . ?
C00U C00V 1.388(6) . ?
C00U H00U 0.9500 . ?
C00V C01M 1.397(6) . ?
C00V C01E 1.484(6) . ?
C00W C028 1.406(6) . ?
C00X C01O 1.408(6) . ?
C00X C01B 1.443(6) . ?
C00Y C018 1.400(6) . ?
C00Y C01G 1.404(6) . ?
C00Y C00Z 1.458(6) . ?
C00Z C022 1.404(6) . ?
O010 C03J 1.267(6) . ?
C011 C01V 1.417(5) . ?
O012 C046 1.271(9) . ?
C013 C01C 1.393(5) . ?
C013 C014 1.425(6) . ?
C013 C017 1.449(6) . ?
C014 C01J 1.428(6) . ?
C015 C020 1.356(6) . ?
C015 C02T 1.390(6) . ?
C015 C01H 1.490(5) . ?
N016 C03D 1.371(6) . ?
N016 C03V 1.383(7) . ?
N016 C02A 1.458(6) . ?
C018 H018 0.9500 . ?
C019 C02D 1.333(6) . ?
C019 C02F 1.374(7) . ?
C019 C02E 1.496(6) . ?
C01A C01I 1.340(6) . ?
C01A C02J 1.400(7) . ?
C01C C01H 1.375(6) . ?
C01C H01C 0.9500 . ?
C01D C01K 1.373(7) . ?
C01D H01D 0.9500 . ?
C01F C01J 1.392(5) . ?
C01F C01H 1.395(6) . ?
C01F H01F 0.9500 . ?
C01G C01V 1.370(6) . ?
C01G H01G 0.9500 . ?
C01I C01P 1.415(6) . ?
C01I H01I 0.9500 . ?
C01J H01J 0.9500 . ?
C01K C01Y 1.374(7) . ?
C01K C0 1.509(19) . ?
C01K C029 1.537(6) . ?
O01L C034 1.217(6) . ?
C01M C022 1.380(6) . ?
C01M H01M 0.9500 . ?
C01N C01O 1.363(6) . ?
C01N C024 1.393(7) . ?
C01N C01S 1.523(6) . ?
C01O H01O 0.9500 . ?
C01P C01T 1.383(7) . ?
C01P H01P 0.9500 . ?
C01Q C024 1.348(6) . ?
C01Q H01Q 0.9500 . ?
C01R C01X 1.380(7) . ?
C01R C01Z 1.391(6) . ?
C01R H01R 0.9500 . ?
C01S C035 1.366(7) . ?
C01S C02K 1.382(7) . ?
C01T C02Z 1.373(7) . ?
C01T C02Y 1.479(6) . ?
C01U C02H 1.406(7) . ?
C01U C034 1.423(7) . ?
C01U C03D 1.426(6) . ?
C01V H01V 0.9500 . ?
C01W C01Z 1.349(7) . ?
C01W C02R 1.375(7) . ?
C01X C02G 1.405(7) . ?
C01X C02W 1.493(7) . ?
C01Y C028 1.368(6) . ?
C01Y H01Y 0.9500 . ?
C01Z H01Z 0.9500 . ?
C020 C02D 1.387(6) . ?
C020 H020 0.9500 . ?
C021 C02K 1.363(6) . ?
C021 C030 1.406(7) . ?
C021 H021 0.9500 . ?
C022 H022 0.9500 . ?
C023 C036 1.380(7) . ?
C023 C02S 1.410(6) . ?
C023 H023 0.9500 . ?
C024 H024 0.9500 . ?
C025 C026 1.474(7) . ?
C026 C02C 1.366(7) . ?
C026 C02X 1.422(7) . ?
C028 H028 0.9500 . ?
C02A C03P 1.327(8) . ?
C02A C02B 1.404(8) . ?
C02B C02N 1.397(6) . ?
C02B H02B 0.9500 . ?
C02C C03A 1.369(7) . ?
C02C H02C 0.9500 . ?
C02D H02D 0.9500 . ?
C02F C02T 1.377(6) . ?
C02F H02F 0.9500 . ?
C02G C02R 1.376(7) . ?
C02G H02G 0.9500 . ?
C02H C02S 1.379(7) . ?
C02H H02H 0.9500 . ?
C02I C02O 1.359(7) . ?
C02I C02L 1.393(6) . ?
C02I C03J 1.523(7) . ?
C02J C02Z 1.360(6) . ?
C02J H02J 0.9500 . ?
C02K H02K 0.9500 . ?
C02L C02P 1.361(7) . ?
C02L H02L 0.9500 . ?
C02M C032 1.400(6) . ?
C02M C02P 1.403(7) . ?
C02M C02S 1.450(6) . ?
C02N C037 1.402(8) 1_655 ?
C02N H02N 0.9500 . ?
C02O C032 1.326(6) . ?
C02O H02O 0.9500 . ?
C02P H02P 0.9500 . ?
C02Q C02U 1.354(8) . ?
C02Q C03N 1.360(8) . ?
C02Q H02Q 0.9500 . ?
C02R H02R 0.9500 . ?
C02T H02T 0.9500 . ?
C02U C02V 1.426(7) . ?
C02U H02U 0.9500 . ?
C02V C03Y 1.348(8) . ?
C02V C031 1.491(8) . ?
C02W C03A 1.405(7) . ?
C02W C03I 1.407(7) . ?
C02X C03I 1.384(7) . ?
C02X H02X 0.9500 . ?
C02Y C3 1.29(3) . ?
C02Y C04F 1.299(10) . ?
C02Y C04E 1.452(9) . ?
C02Y C5 1.54(2) . ?
C02Z H02Z 0.9500 . ?
C030 C03G 1.353(7) . ?
C030 C03C 1.472(7) . ?
C032 H032 0.9500 . ?
O033 C042 1.157(15) . ?
C034 C03M 1.504(7) . ?
C035 C03G 1.399(7) . ?
C035 H035 0.9500 . ?
C036 C03D 1.358(7) . ?
C036 H036 0.9500 . ?
C037 C03Z 1.375(8) . ?
C037 C038 1.501(7) . ?
C037 C4 1.668(11) . ?
C038 C03S 1.365(8) . ?
C038 C03T 1.380(9) . ?
C03A H03A 0.9500 . ?
C03B C03U 1.331(8) . ?
C03B C03F 1.359(8) . ?
C03B C046 1.548(8) . ?
C03F C03S 1.386(8) . ?
C03F H03F 0.9500 . ?
C03G H03G 0.9500 . ?
O03H C042 1.314(17) . ?
C03I H03I 0.9500 . ?
O03K C043 1.086(10) . ?
C03L C03W 1.365(8) . ?
C03L C03Q 1.394(7) . ?
C03L H03L 0.9500 . ?
C03M C041 1.364(8) . ?
C03M C03V 1.411(7) . ?
C03N C049 1.424(9) . ?
C03N C03Q 1.478(8) . ?
C03O N03R 1.241(8) . ?
C03O H03O 0.9500 . ?
C03P C03Z 1.394(7) 1_655 ?
C03P H03P 0.9500 . ?
C03Q C041 1.360(7) . ?
N03R C04M 1.383(9) . ?
N03R C04Y 1.446(12) . ?
C03S H03S 0.9500 . ?
C03T C03U 1.379(8) . ?
C03T H03T 0.9500 . ?
C03U H03U 0.9500 . ?
C03V C03W 1.430(7) . ?
C03W H03W 0.9500 . ?
C03Y C049 1.374(9) . ?
C03Y H03Y 0.9500 . ?
C03Z H03Z 0.9500 . ?
O040 C043 1.181(10) . ?
C041 H041 0.9500 . ?
C042 C045 1.525(9) . ?
C043 C04B 1.591(10) . ?
C045 C04A 1.3900 . ?
C045 C044 1.3900 . ?
C04A C03X 1.3900 . ?
C04A H04A 0.9500 . ?
C03X C029 1.3900 . ?
C03X H03X 0.9500 . ?
C029 C03E 1.3900 . ?
C03E C044 1.3900 . ?
C03E H03E 0.9500 . ?
C044 H044 0.9500 . ?
C049 H049 0.9500 . ?
C04B C04H 1.280(11) . ?
C04B C7 1.33(2) . ?
C04B C6 1.43(2) . ?
C04B C04G 1.520(12) . ?
O04C C2AA 1.460(18) . ?
O04D C15 1.182(14) . ?
C04E C04G 1.435(10) . ?
C04E H04E 0.9500 . ?
C04F C04H 1.357(10) . ?
C04F H04F 0.9500 . ?
C04G H04G 0.9500 . ?
C04H H04H 0.9500 . ?
C04M H04B 0.9800 . ?
C04M H04C 0.9800 . ?
C04M H04D 0.9800 . ?
C04Y H04I 0.9800 . ?
C04Y H04J 0.9800 . ?
C04Y H04K 0.9800 . ?
N7 C15 1.234(18) . ?
N7 C29 1.38(2) . ?
N7 C0AA 1.41(2) . ?
C0AA H0AA 0.9800 . ?
C0AA H0AB 0.9800 . ?
C0AA H0AC 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C3 C7 1.35(3) . ?
C3 H3 0.9500 . ?
C4 C17 1.3900 . ?
C4 C96 1.3900 . ?
C17 C8 1.3900 . ?
C17 H17 0.9500 . ?
C8 C16 1.3900 . ?
C8 H8 0.9500 . ?
C16 C44 1.3900 . ?
C16 C49 1.59(3) . ?
C44 C96 1.3900 . ?
C44 H44 0.9500 . ?
C96 H96 0.9500 . ?
C5 C6 1.40(3) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
O30 C49 1.20(4) . ?
C49 O112 1.35(4) . ?
Co1 O64 1.97(2) 2_855 ?
Co1 O64 1.97(2) . ?
N1AA C2AA 1.050(16) . ?
N1AA C62 1.541(18) . ?
N1AA C21 1.72(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C2AA H2AA 0.9500 . ?
O64 C9 1.46(6) . ?
C0 C4AA 1.3900 . ?
C0 C1AA 1.3900 . ?
C4AA C3AA 1.3900 . ?
C4AA H4AA 0.9500 . ?
C3AA C2 1.3900 . ?
C3AA H3AA 0.9500 . ?
C2 C1 1.3900 . ?
C2 C9 1.513(18) . ?
C1 C1AA 1.3900 . ?
C1 H1 0.9500 . ?
C1AA H1AA 0.9500 . ?
C9 O0 1.12(7) . ?

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
O00K Co01 O008 98.14(14) . . ?
O00K Co01 O009 97.40(14) . . ?
O008 Co01 O009 89.18(13) . . ?
O00K Co01 O00G 88.55(16) . . ?
O008 Co01 O00G 172.91(16) . . ?
O009 Co01 O00G 92.28(15) . . ?
O00K Co01 O00M 87.16(16) . . ?
O008 Co01 O00M 88.47(15) . . ?
O009 Co01 O00M 175.13(14) . . ?
O00G Co01 O00M 89.54(17) . . ?
O00K Co01 O006 171.45(14) . 1_645 ?
O008 Co01 O006 89.04(12) . 1_645 ?
O009 Co01 O006 87.29(13) . 1_645 ?
O00G Co01 O006 84.10(15) . 1_645 ?
O00M Co01 O006 88.40(14) . 1_645 ?
O00H Co02 O00O 93.32(16) 1_545 1_556 ?
O00H Co02 O00J 93.55(16) 1_545 . ?
O00O Co02 O00J 90.98(16) 1_556 . ?
O00H Co02 O00A 90.16(14) 1_545 . ?
O00O Co02 O00A 95.59(15) 1_556 . ?
O00J Co02 O00A 172.26(16) . . ?
O00H Co02 O00L 179.22(15) 1_545 . ?
O00O Co02 O00L 85.92(16) 1_556 . ?
O00J Co02 O00L 86.69(16) . . ?
O00A Co02 O00L 89.70(14) . . ?
O00H Co02 O007 87.19(13) 1_545 1_645 ?
O00O Co02 O007 176.92(14) 1_556 1_645 ?
O00J Co02 O007 85.96(14) . 1_645 ?
O00A Co02 O007 87.44(11) . 1_645 ?
O00L Co02 O007 93.58(13) . 1_645 ?
O112 Co03 O010 108.8(11) . . ?
O012 Co03 O010 112.2(2) . . ?
O112 Co03 O008 118.8(10) . . ?
O012 Co03 O008 101.9(2) . . ?
O010 Co03 O008 120.38(18) . . ?
O112 Co03 O00A 102.6(11) . . ?
O012 Co03 O00A 120.0(2) . . ?
O010 Co03 O00A 103.94(17) . . ?
O008 Co03 O00A 98.73(13) . . ?
O00D Co04 O008 106.00(14) . . ?
O00D Co04 O00I 101.68(16) . . ?
O008 Co04 O00I 94.58(14) . . ?
O00D Co04 O03K 104.7(2) . 1_655 ?
O008 Co04 O03K 139.9(3) . 1_655 ?
O00I Co04 O03K 103.9(2) . 1_655 ?
O00D Co04 O040 158.9(2) . 1_655 ?
O008 Co04 O040 91.0(2) . 1_655 ?
O00I Co04 O040 89.1(2) . 1_655 ?
O03K Co04 O040 54.7(2) 1_655 1_655 ?
O00D Co04 O04D 83.4(2) . . ?
O008 Co04 O04D 79.1(2) . . ?
O00I Co04 O04D 172.9(3) . . ?
O03K Co04 O04D 79.4(3) 1_655 . ?
O040 Co04 O04D 87.7(3) 1_655 . ?
O00D Co04 C043 130.0(3) . 1_655 ?
O008 Co04 C043 115.1(3) . 1_655 ?
O00I Co04 C043 102.2(2) . 1_655 ?
O03K Co04 C043 26.5(3) 1_655 1_655 ?
O040 Co04 C043 29.0(2) 1_655 1_655 ?
O04D Co04 C043 77.8(3) . 1_655 ?
O0 Co05 O00A 119.6(14) 1_456 . ?
O00A Co05 O00N 113.36(15) . 1_556 ?
O00A Co05 O00P 94.47(16) . 1_545 ?
O00N Co05 O00P 94.92(18) 1_556 1_545 ?
O00A Co05 O03H 145.6(3) . 1_456 ?
O00N Co05 O03H 97.2(3) 1_556 1_456 ?
O00P Co05 O03H 98.5(2) 1_545 1_456 ?
O00A Co05 O033 90.1(2) . 1_456 ?
O00N Co05 O033 156.1(2) 1_556 1_456 ?
O00P Co05 O033 87.3(2) 1_545 1_456 ?
O03H Co05 O033 59.1(3) 1_456 1_456 ?
O00A Co05 O04C 80.0(3) . . ?
O00N Co05 O04C 89.2(3) 1_556 . ?
O00P Co05 O04C 174.1(3) 1_545 . ?
O03H Co05 O04C 85.1(3) 1_456 . ?
O033 Co05 O04C 90.6(3) 1_456 . ?
O00A Co05 C042 116.5(4) . 1_456 ?
O00N Co05 C042 128.7(4) 1_556 1_456 ?
O00P Co05 C042 92.5(3) 1_545 1_456 ?
O03H Co05 C042 31.6(5) 1_456 1_456 ?
O033 Co05 C042 27.5(4) 1_456 1_456 ?
O04C Co05 C042 88.2(3) . 1_456 ?
C01E O006 Co01 122.0(3) . 1_465 ?
C01E O007 Co02 117.3(3) . 1_465 ?
Co03 O008 Co04 121.49(15) . . ?
Co03 O008 Co01 112.49(16) . . ?
Co04 O008 Co01 107.76(15) . . ?
Co03 O008 H008 104.5 . . ?
Co04 O008 H008 104.5 . . ?
Co01 O008 H008 104.5 . . ?
C025 O009 Co01 129.8(3) . . ?
Co05 O00A Co03 122.17(15) . . ?
Co05 O00A Co02 107.54(15) . . ?
Co03 O00A Co02 108.22(16) . . ?
Co05 O00A H00A 105.9 . . ?
Co03 O00A H00A 105.9 . . ?
Co02 O00A H00A 105.9 . . ?
C02E O00D Co04 125.4(3) . . ?
C014 N00E C011 121.2(3) . . ?
C014 N00E C01A 119.2(3) . . ?
C011 N00E C01A 119.4(3) . . ?
C00Q N00F C00W 122.0(4) . . ?
C00Q N00F C01W 117.2(3) . . ?
C00W N00F C01W 120.8(4) . . ?
C03O O00G Co01 121.1(4) . . ?
C031 O00H Co02 136.7(4) . 1_565 ?
C025 O00I Co04 131.4(4) . . ?
Co02 O00J H00B 129.4 . . ?
Co02 O00J H00C 128.8 . . ?
H00B O00J H00C 101.8 . . ?
C02E O00K Co01 139.7(3) . . ?
C03J O00L Co02 123.9(4) . . ?
C046 O00M Co01 124.0(5) . . ?
C03C O00N Co05 122.1(4) . 1_554 ?
C03C O00O Co02 139.4(4) . 1_554 ?
C031 O00P Co05 127.0(4) . 1_565 ?
N00F C00Q C01Q 122.0(4) . . ?
N00F C00Q C00X 118.8(4) . . ?
C01Q C00Q C00X 119.1(4) . . ?
C018 C00R C011 120.1(4) . . ?
C018 C00R C017 120.5(4) . . ?
C011 C00R C017 119.3(4) . . ?
C00U C00S C00Z 122.3(4) . . ?
C00U C00S H00S 118.9 . . ?
C00Z C00S H00S 118.9 . . ?
C00W C00T C01D 119.0(4) . . ?
C00W C00T C01B 120.2(4) . . ?
C01D C00T C01B 120.8(4) . . ?
C00S C00U C00V 121.0(4) . . ?
C00S C00U H00U 119.5 . . ?
C00V C00U H00U 119.5 . . ?
C00U C00V C01M 117.7(4) . . ?
C00U C00V C01E 122.6(4) . . ?
C01M C00V C01E 119.8(4) . . ?
C00T C00W N00F 121.1(4) . . ?
C00T C00W C028 119.4(4) . . ?
N00F C00W C028 119.5(4) . . ?
C01O C00X C00Q 117.4(4) . . ?
C01O C00X C01B 121.3(4) . . ?
C00Q C00X C01B 121.3(4) . . ?
C018 C00Y C01G 114.9(4) . . ?
C018 C00Y C00Z 123.0(4) . . ?
C01G C00Y C00Z 122.1(4) . . ?
C00S C00Z C022 116.7(4) . . ?
C00S C00Z C00Y 122.7(4) . . ?
C022 C00Z C00Y 120.5(4) . . ?
C03J O010 Co03 108.3(4) . . ?
N00E C011 C00R 121.9(4) . . ?
N00E C011 C01V 121.1(4) . . ?
C00R C011 C01V 117.0(4) . . ?
C046 O012 Co03 108.7(4) . . ?
C01C C013 C014 118.7(4) . . ?
C01C C013 C017 120.9(4) . . ?
C014 C013 C017 120.3(4) . . ?
N00E C014 C013 120.5(4) . . ?
N00E C014 C01J 121.1(4) . . ?
C013 C014 C01J 118.4(4) . . ?
C020 C015 C02T 116.5(4) . . ?
C020 C015 C01H 122.6(4) . . ?
C02T C015 C01H 120.9(4) . . ?
C03D N016 C03V 122.1(4) . . ?
C03D N016 C02A 120.2(4) . . ?
C03V N016 C02A 117.7(4) . . ?
O00B C017 C013 121.3(4) . . ?
O00B C017 C00R 122.1(4) . . ?
C013 C017 C00R 116.6(4) . . ?
C00R C018 C00Y 123.9(4) . . ?
C00R C018 H018 118.1 . . ?
C00Y C018 H018 118.1 . . ?
C02D C019 C02F 117.9(4) . . ?
C02D C019 C02E 122.5(4) . . ?
C02F C019 C02E 119.6(4) . . ?
C01I C01A C02J 120.8(4) . . ?
C01I C01A N00E 121.6(4) . . ?
C02J C01A N00E 117.6(4) . . ?
O00C C01B C00X 121.4(4) . . ?
O00C C01B C00T 122.1(4) . . ?
C00X C01B C00T 116.4(4) . . ?
C01H C01C C013 124.3(4) . . ?
C01H C01C H01C 117.9 . . ?
C013 C01C H01C 117.9 . . ?
C01K C01D C00T 122.2(5) . . ?
C01K C01D H01D 118.9 . . ?
C00T C01D H01D 118.9 . . ?
O007 C01E O006 122.6(4) . . ?
O007 C01E C00V 120.6(4) . . ?
O006 C01E C00V 116.7(4) . . ?
C01J C01F C01H 123.7(4) . . ?
C01J C01F H01F 118.1 . . ?
C01H C01F H01F 118.1 . . ?
C01V C01G C00Y 123.1(4) . . ?
C01V C01G H01G 118.4 . . ?
C00Y C01G H01G 118.4 . . ?
C01C C01H C01F 116.2(4) . . ?
C01C C01H C015 121.9(4) . . ?
C01F C01H C015 121.9(4) . . ?
C01A C01I C01P 119.4(5) . . ?
C01A C01I H01I 120.3 . . ?
C01P C01I H01I 120.3 . . ?
C01F C01J C014 118.7(4) . . ?
C01F C01J H01J 120.6 . . ?
C014 C01J H01J 120.6 . . ?
C01D C01K C01Y 117.2(4) . . ?
C01D C01K C0 137.4(12) . . ?
C01Y C01K C0 105.3(12) . . ?
C01D C01K C029 120.0(5) . . ?
C01Y C01K C029 122.8(5) . . ?
C022 C01M C00V 121.5(4) . . ?
C022 C01M H01M 119.3 . . ?
C00V C01M H01M 119.3 . . ?
C01O C01N C024 117.3(4) . . ?
C01O C01N C01S 123.3(5) . . ?
C024 C01N C01S 119.2(4) . . ?
C01N C01O C00X 122.8(4) . . ?
C01N C01O H01O 118.6 . . ?
C00X C01O H01O 118.6 . . ?
C01T C01P C01I 120.5(5) . . ?
C01T C01P H01P 119.7 . . ?
C01I C01P H01P 119.7 . . ?
C024 C01Q C00Q 120.1(4) . . ?
C024 C01Q H01Q 119.9 . . ?
C00Q C01Q H01Q 119.9 . . ?
C01X C01R C01Z 121.2(5) . . ?
C01X C01R H01R 119.4 . . ?
C01Z C01R H01R 119.4 . . ?
C035 C01S C02K 117.9(5) . . ?
C035 C01S C01N 121.2(5) . . ?
C02K C01S C01N 120.4(4) . . ?
C02Z C01T C01P 117.9(4) . . ?
C02Z C01T C02Y 120.4(5) . . ?
C01P C01T C02Y 121.7(5) . . ?
C02H C01U C034 120.8(4) . . ?
C02H C01U C03D 116.9(5) . . ?
C034 C01U C03D 122.3(4) . . ?
C01G C01V C011 120.9(4) . . ?
C01G C01V H01V 119.6 . . ?
C011 C01V H01V 119.6 . . ?
C01Z C01W C02R 121.2(4) . . ?
C01Z C01W N00F 118.9(5) . . ?
C02R C01W N00F 119.8(4) . . ?
C01R C01X C02G 117.5(4) . . ?
C01R C01X C02W 122.2(5) . . ?
C02G C01X C02W 120.3(5) . . ?
C028 C01Y C01K 123.0(5) . . ?
C028 C01Y H01Y 118.5 . . ?
C01K C01Y H01Y 118.5 . . ?
C01W C01Z C01R 119.4(5) . . ?
C01W C01Z H01Z 120.3 . . ?
C01R C01Z H01Z 120.3 . . ?
C015 C020 C02D 121.2(4) . . ?
C015 C020 H020 119.4 . . ?
C02D C020 H020 119.4 . . ?
C02K C021 C030 121.2(5) . . ?
C02K C021 H021 119.4 . . ?
C030 C021 H021 119.4 . . ?
C01M C022 C00Z 120.8(4) . . ?
C01M C022 H022 119.6 . . ?
C00Z C022 H022 119.6 . . ?
C036 C023 C02S 121.3(5) . . ?
C036 C023 H023 119.4 . . ?
C02S C023 H023 119.4 . . ?
C01Q C024 C01N 122.9(4) . . ?
C01Q C024 H024 118.6 . . ?
C01N C024 H024 118.6 . . ?
O00I C025 O009 125.4(5) . . ?
O00I C025 C026 118.5(5) . . ?
O009 C025 C026 116.0(5) . . ?
C02C C026 C02X 118.9(5) . . ?
C02C C026 C025 123.0(5) . . ?
C02X C026 C025 117.9(5) . . ?
C01Y C028 C00W 119.1(5) . . ?
C01Y C028 H028 120.4 . . ?
C00W C028 H028 120.4 . . ?
C03P C02A C02B 122.5(5) . . ?
C03P C02A N016 119.7(5) . . ?
C02B C02A N016 117.8(5) . . ?
C02N C02B C02A 117.3(5) . . ?
C02N C02B H02B 121.3 . . ?
C02A C02B H02B 121.3 . . ?
C026 C02C C03A 121.1(5) . . ?
C026 C02C H02C 119.4 . . ?
C03A C02C H02C 119.4 . . ?
C019 C02D C020 122.2(4) . . ?
C019 C02D H02D 118.9 . . ?
C020 C02D H02D 118.9 . . ?
O00K C02E O00D 123.9(4) . . ?
O00K C02E C019 117.7(4) . . ?
O00D C02E C019 118.3(5) . . ?
C019 C02F C02T 120.5(5) . . ?
C019 C02F H02F 119.8 . . ?
C02T C02F H02F 119.8 . . ?
C02R C02G C01X 120.7(5) . . ?
C02R C02G H02G 119.7 . . ?
C01X C02G H02G 119.7 . . ?
C02S C02H C01U 124.5(4) . . ?
C02S C02H H02H 117.8 . . ?
C01U C02H H02H 117.8 . . ?
C02O C02I C02L 118.0(5) . . ?
C02O C02I C03J 122.8(4) . . ?
C02L C02I C03J 119.2(5) . . ?
C02Z C02J C01A 119.0(5) . . ?
C02Z C02J H02J 120.5 . . ?
C01A C02J H02J 120.5 . . ?
C021 C02K C01S 121.0(5) . . ?
C021 C02K H02K 119.5 . . ?
C01S C02K H02K 119.5 . . ?
C02P C02L C02I 120.6(5) . . ?
C02P C02L H02L 119.7 . . ?
C02I C02L H02L 119.7 . . ?
C032 C02M C02P 115.3(4) . . ?
C032 C02M C02S 122.8(5) . . ?
C02P C02M C02S 121.8(4) . . ?
C02B C02N C037 120.6(5) . 1_655 ?
C02B C02N H02N 119.7 . . ?
C037 C02N H02N 119.7 1_655 . ?
C032 C02O C02I 121.8(5) . . ?
C032 C02O H02O 119.1 . . ?
C02I C02O H02O 119.1 . . ?
C02L C02P C02M 121.4(4) . . ?
C02L C02P H02P 119.3 . . ?
C02M C02P H02P 119.3 . . ?
C02U C02Q C03N 121.8(6) . . ?
C02U C02Q H02Q 119.1 . . ?
C03N C02Q H02Q 119.1 . . ?
C01W C02R C02G 119.5(5) . . ?
C01W C02R H02R 120.3 . . ?
C02G C02R H02R 120.3 . . ?
C02H C02S C023 115.8(4) . . ?
C02H C02S C02M 122.5(4) . . ?
C023 C02S C02M 121.5(5) . . ?
C02F C02T C015 121.5(5) . . ?
C02F C02T H02T 119.2 . . ?
C015 C02T H02T 119.2 . . ?
C02Q C02U C02V 120.8(6) . . ?
C02Q C02U H02U 119.6 . . ?
C02V C02U H02U 119.6 . . ?
C03Y C02V C02U 118.8(6) . . ?
C03Y C02V C031 121.6(5) . . ?
C02U C02V C031 119.6(5) . . ?
C03A C02W C03I 118.7(5) . . ?
C03A C02W C01X 120.7(5) . . ?
C03I C02W C01X 120.6(5) . . ?
C03I C02X C026 120.6(5) . . ?
C03I C02X H02X 119.7 . . ?
C026 C02X H02X 119.7 . . ?
C04F C02Y C04E 119.7(6) . . ?
C3 C02Y C01T 125.9(10) . . ?
C04F C02Y C01T 122.3(6) . . ?
C04E C02Y C01T 117.9(6) . . ?
C3 C02Y C5 109.6(13) . . ?
C01T C02Y C5 119.2(8) . . ?
C02J C02Z C01T 122.4(5) . . ?
C02J C02Z H02Z 118.8 . . ?
C01T C02Z H02Z 118.8 . . ?
C03G C030 C021 117.6(5) . . ?
C03G C030 C03C 122.0(5) . . ?
C021 C030 C03C 120.4(5) . . ?
O00H C031 O00P 125.8(6) . . ?
O00H C031 C02V 116.6(5) . . ?
O00P C031 C02V 117.6(5) . . ?
C02O C032 C02M 122.8(5) . . ?
C02O C032 H032 118.6 . . ?
C02M C032 H032 118.6 . . ?
C042 O033 Co05 89.4(7) . 1_654 ?
O01L C034 C01U 123.6(5) . . ?
O01L C034 C03M 120.0(5) . . ?
C01U C034 C03M 116.3(4) . . ?
C01S C035 C03G 121.3(5) . . ?
C01S C035 H035 119.3 . . ?
C03G C035 H035 119.3 . . ?
C03D C036 C023 122.1(5) . . ?
C03D C036 H036 118.9 . . ?
C023 C036 H036 118.9 . . ?
C03Z C037 C02N 119.0(5) . 1_455 ?
C03Z C037 C038 118.3(5) . . ?
C02N C037 C038 122.5(5) 1_455 . ?
C03Z C037 C4 137.8(7) . . ?
C02N C037 C4 95.2(7) 1_455 . ?
C03S C038 C03T 117.7(5) . . ?
C03S C038 C037 119.0(6) . . ?
C03T C038 C037 123.2(5) . . ?
C02C C03A C02W 121.0(5) . . ?
C02C C03A H03A 119.5 . . ?
C02W C03A H03A 119.5 . . ?
C03U C03B C03F 119.6(5) . . ?
C03U C03B C046 119.8(5) . . ?
C03F C03B C046 120.5(6) . . ?
O00O C03C O00N 125.4(5) . . ?
O00O C03C C030 117.0(5) . . ?
O00N C03C C030 117.6(6) . . ?
C036 C03D N016 121.5(4) . . ?
C036 C03D C01U 119.3(4) . . ?
N016 C03D C01U 119.2(5) . . ?
C03B C03F C03S 119.9(6) . . ?
C03B C03F H03F 120.1 . . ?
C03S C03F H03F 120.1 . . ?
C030 C03G C035 120.9(5) . . ?
C030 C03G H03G 119.5 . . ?
C035 C03G H03G 119.5 . . ?
C042 O03H Co05 89.0(9) . 1_654 ?
C02X C03I C02W 119.4(5) . . ?
C02X C03I H03I 120.3 . . ?
C02W C03I H03I 120.3 . . ?
O00L C03J O010 124.8(5) . . ?
O00L C03J C02I 120.9(5) . . ?
O010 C03J C02I 114.2(5) . . ?
C043 O03K Co04 91.1(8) . 1_455 ?
C03W C03L C03Q 121.9(5) . . ?
C03W C03L H03L 119.1 . . ?
C03Q C03L H03L 119.1 . . ?
C041 C03M C03V 120.6(5) . . ?
C041 C03M C034 121.3(5) . . ?
C03V C03M C034 118.2(5) . . ?
C02Q C03N C049 116.5(6) . . ?
C02Q C03N C03Q 122.4(6) . . ?
C049 C03N C03Q 121.0(6) . . ?
O00G C03O N03R 130.2(8) . . ?
O00G C03O H03O 114.9 . . ?
N03R C03O H03O 114.9 . . ?
C02A C03P C03Z 120.1(5) . 1_655 ?
C02A C03P H03P 120.0 . . ?
C03Z C03P H03P 120.0 1_655 . ?
C041 C03Q C03L 117.7(6) . . ?
C041 C03Q C03N 123.8(5) . . ?
C03L C03Q C03N 118.5(5) . . ?
C03O N03R C04M 131.6(9) . . ?
C03O N03R C04Y 122.6(8) . . ?
C04M N03R C04Y 105.8(8) . . ?
C038 C03S C03F 121.0(6) . . ?
C038 C03S H03S 119.5 . . ?
C03F C03S H03S 119.5 . . ?
C03U C03T C038 120.2(6) . . ?
C03U C03T H03T 119.9 . . ?
C038 C03T H03T 119.9 . . ?
C03B C03U C03T 121.4(6) . . ?
C03B C03U H03U 119.3 . . ?
C03T C03U H03U 119.3 . . ?
N016 C03V C03M 121.9(5) . . ?
N016 C03V C03W 121.5(5) . . ?
C03M C03V C03W 116.6(5) . . ?
C03L C03W C03V 120.3(5) . . ?
C03L C03W H03W 119.9 . . ?
C03V C03W H03W 119.9 . . ?
C02V C03Y C049 119.6(6) . . ?
C02V C03Y H03Y 120.2 . . ?
C049 C03Y H03Y 120.2 . . ?
C037 C03Z C03P 120.4(6) . 1_455 ?
C037 C03Z H03Z 119.8 . . ?
C03P C03Z H03Z 119.8 1_455 . ?
C043 O040 Co04 84.9(5) . 1_455 ?
C03Q C041 C03M 122.9(5) . . ?
C03Q C041 H041 118.5 . . ?
C03M C041 H041 118.5 . . ?
O033 C042 O03H 122.5(9) . . ?
O033 C042 C045 122.3(11) . . ?
O03H C042 C045 115.1(12) . . ?
O033 C042 Co05 63.2(5) . 1_654 ?
O03H C042 Co05 59.4(5) . 1_654 ?
C045 C042 Co05 174.2(9) . 1_654 ?
O03K C043 O040 125.5(9) . . ?
O03K C043 C04B 119.6(10) . . ?
O040 C043 C04B 113.0(8) . . ?
O03K C043 Co04 62.3(6) . 1_455 ?
O040 C043 Co04 66.1(5) . 1_455 ?
C04B C043 Co04 176.1(7) . 1_455 ?
C04A C045 C044 120.0 . . ?
C04A C045 C042 122.9(7) . . ?
C044 C045 C042 116.8(7) . . ?
C045 C04A C03X 120.0 . . ?
C045 C04A H04A 120.0 . . ?
C03X C04A H04A 120.0 . . ?
C029 C03X C04A 120.0 . . ?
C029 C03X H03X 120.0 . . ?
C04A C03X H03X 120.0 . . ?
C03X C029 C03E 120.0 . . ?
C03X C029 C01K 118.7(4) . . ?
C03E C029 C01K 120.8(4) . . ?
C029 C03E C044 120.0 . . ?
C029 C03E H03E 120.0 . . ?
C044 C03E H03E 120.0 . . ?
C03E C044 C045 120.0 . . ?
C03E C044 H044 120.0 . . ?
C045 C044 H044 120.0 . . ?
O00M C046 O012 130.1(6) . . ?
O00M C046 C03B 117.9(6) . . ?
O012 C046 C03B 112.0(6) . . ?
C03Y C049 C03N 122.4(6) . . ?
C03Y C049 H049 118.8 . . ?
C03N C049 H049 118.8 . . ?
C7 C04B C6 120.0(14) . . ?
C04H C04B C04G 118.3(7) . . ?
C04H C04B C043 122.1(9) . . ?
C7 C04B C043 124.0(11) . . ?
C6 C04B C043 112.2(10) . . ?
C04G C04B C043 119.5(8) . . ?
C2AA O04C Co05 122.2(9) . . ?
C15 O04D Co04 120.0(10) . . ?
C04G C04E C02Y 114.9(7) . . ?
C04G C04E H04E 122.6 . . ?
C02Y C04E H04E 122.6 . . ?
C02Y C04F C04H 126.6(9) . . ?
C02Y C04F H04F 116.7 . . ?
C04H C04F H04F 116.7 . . ?
C04E C04G C04B 119.3(7) . . ?
C04E C04G H04G 120.4 . . ?
C04B C04G H04G 120.4 . . ?
C04B C04H C04F 120.6(10) . . ?
C04B C04H H04H 119.7 . . ?
C04F C04H H04H 119.7 . . ?
N03R C04M H04B 109.5 . . ?
N03R C04M H04C 109.5 . . ?
H04B C04M H04C 109.5 . . ?
N03R C04M H04D 109.5 . . ?
H04B C04M H04D 109.5 . . ?
H04C C04M H04D 109.5 . . ?
N03R C04Y H04I 109.5 . . ?
N03R C04Y H04J 109.5 . . ?
H04I C04Y H04J 109.5 . . ?
N03R C04Y H04K 109.5 . . ?
H04I C04Y H04K 109.5 . . ?
H04J C04Y H04K 109.5 . . ?
C15 N7 C29 123(2) . . ?
C15 N7 C0AA 117.7(15) . . ?
C29 N7 C0AA 117.6(18) . . ?
N7 C0AA H0AA 109.5 . . ?
N7 C0AA H0AB 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
N7 C0AA H0AC 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?
O04D C15 N7 126.7(17) . . ?
N7 C29 H29A 109.5 . . ?
N7 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N7 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C02Y C3 C7 129(2) . . ?
C02Y C3 H3 115.5 . . ?
C7 C3 H3 115.5 . . ?
C17 C4 C96 120.0 . . ?
C17 C4 C037 142.3(9) . . ?
C96 C4 C037 97.2(9) . . ?
C8 C17 C4 120.0 . . ?
C8 C17 H17 120.0 . . ?
C4 C17 H17 120.0 . . ?
C17 C8 C16 120.0 . . ?
C17 C8 H8 120.0 . . ?
C16 C8 H8 120.0 . . ?
C8 C16 C44 120.0 . . ?
C8 C16 C49 118.3(15) . . ?
C44 C16 C49 121.2(15) . . ?
C96 C44 C16 120.0 . . ?
C96 C44 H44 120.0 . . ?
C16 C44 H44 120.0 . . ?
C44 C96 C4 120.0 . . ?
C44 C96 H96 120.0 . . ?
C4 C96 H96 120.0 . . ?
C6 C5 C02Y 120.1(18) . . ?
C6 C5 H5 120.0 . . ?
C02Y C5 H5 120.0 . . ?
C5 C6 C04B 115.2(19) . . ?
C5 C6 H6 122.4 . . ?
C04B C6 H6 122.4 . . ?
C04B C7 C3 118(2) . . ?
C04B C7 H7 121.1 . . ?
C3 C7 H7 121.1 . . ?
O30 C49 O112 123(3) . . ?
O30 C49 C16 108(2) . . ?
O112 C49 C16 129(3) . . ?
O64 Co1 O64 180.0 2_855 . ?
C49 O112 Co03 142(3) . . ?
C2AA N1AA C62 126.7(19) . . ?
C2AA N1AA C21 124.5(18) . . ?
C62 N1AA C21 108.7(13) . . ?
N1AA C21 H21A 109.5 . . ?
N1AA C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N1AA C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N1AA C62 H62A 109.5 . . ?
N1AA C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
N1AA C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N1AA C2AA O04C 112.3(18) . . ?
N1AA C2AA H2AA 123.9 . . ?
O04C C2AA H2AA 123.9 . . ?
C9 O64 Co1 139(2) . . ?
C4AA C0 C1AA 120.0 . . ?
C4AA C0 C01K 128.4(18) . . ?
C1AA C0 C01K 111.6(18) . . ?
C0 C4AA C3AA 120.0 . . ?
C0 C4AA H4AA 120.0 . . ?
C3AA C4AA H4AA 120.0 . . ?
C2 C3AA C4AA 120.0 . . ?
C2 C3AA H3AA 120.0 . . ?
C4AA C3AA H3AA 120.0 . . ?
C3AA C2 C1 120.0 . . ?
C3AA C2 C9 120(3) . . ?
C1 C2 C9 120(3) . . ?
C2 C1 C1AA 120.0 . . ?
C2 C1 H1 120.0 . . ?
C1AA C1 H1 120.0 . . ?
C1 C1AA C0 120.0 . . ?
C1 C1AA H1AA 120.0 . . ?
C0 C1AA H1AA 120.0 . . ?
O0 C9 O64 119(3) . . ?
O0 C9 C2 123(5) . . ?
O64 C9 C2 116(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C00W N00F C00Q C01Q -179.4(4) . . . . ?
C01W N00F C00Q C01Q -1.4(7) . . . . ?
C00W N00F C00Q C00X 3.9(7) . . . . ?
C01W N00F C00Q C00X -178.2(4) . . . . ?
C00Z C00S C00U C00V 1.3(8) . . . . ?
C00S C00U C00V C01M -1.8(7) . . . . ?
C00S C00U C00V C01E 177.4(5) . . . . ?
C01D C00T C00W N00F -177.9(4) . . . . ?
C01B C00T C00W N00F 2.4(7) . . . . ?
C01D C00T C00W C028 1.9(7) . . . . ?
C01B C00T C00W C028 -177.9(4) . . . . ?
C00Q N00F C00W C00T -5.4(7) . . . . ?
C01W N00F C00W C00T 176.7(4) . . . . ?
C00Q N00F C00W C028 174.9(4) . . . . ?
C01W N00F C00W C028 -3.0(7) . . . . ?
N00F C00Q C00X C01O -176.7(4) . . . . ?
C01Q C00Q C00X C01O 6.4(7) . . . . ?
N00F C00Q C00X C01B 0.5(7) . . . . ?
C01Q C00Q C00X C01B -176.4(4) . . . . ?
C00U C00S C00Z C022 -0.3(7) . . . . ?
C00U C00S C00Z C00Y -177.8(5) . . . . ?
C018 C00Y C00Z C00S 33.9(7) . . . . ?
C01G C00Y C00Z C00S -148.1(5) . . . . ?
C018 C00Y C00Z C022 -143.5(5) . . . . ?
C01G C00Y C00Z C022 34.5(7) . . . . ?
C014 N00E C011 C00R -1.9(7) . . . . ?
C01A N00E C011 C00R 173.6(4) . . . . ?
C014 N00E C011 C01V 178.4(4) . . . . ?
C01A N00E C011 C01V -6.1(7) . . . . ?
C018 C00R C011 N00E 177.1(4) . . . . ?
C017 C00R C011 N00E -1.0(7) . . . . ?
C018 C00R C011 C01V -3.2(7) . . . . ?
C017 C00R C011 C01V 178.7(4) . . . . ?
C011 N00E C014 C013 2.5(7) . . . . ?
C01A N00E C014 C013 -173.1(4) . . . . ?
C011 N00E C014 C01J -177.7(4) . . . . ?
C01A N00E C014 C01J 6.8(7) . . . . ?
C01C C013 C014 N00E 177.7(4) . . . . ?
C017 C013 C014 N00E -0.1(7) . . . . ?
C01C C013 C014 C01J -2.1(7) . . . . ?
C017 C013 C014 C01J -179.9(4) . . . . ?
C01C C013 C017 O00B -0.4(7) . . . . ?
C014 C013 C017 O00B 177.3(4) . . . . ?
C01C C013 C017 C00R 179.6(4) . . . . ?
C014 C013 C017 C00R -2.6(7) . . . . ?
C018 C00R C017 O00B 5.1(7) . . . . ?
C011 C00R C017 O00B -176.8(4) . . . . ?
C018 C00R C017 C013 -175.0(4) . . . . ?
C011 C00R C017 C013 3.1(7) . . . . ?
C011 C00R C018 C00Y 0.4(8) . . . . ?
C017 C00R C018 C00Y 178.5(5) . . . . ?
C01G C00Y C018 C00R 2.7(7) . . . . ?
C00Z C00Y C018 C00R -179.2(5) . . . . ?
C014 N00E C01A C01I -89.2(5) . . . . ?
C011 N00E C01A C01I 95.2(5) . . . . ?
C014 N00E C01A C02J 94.3(5) . . . . ?
C011 N00E C01A C02J -81.3(5) . . . . ?
C01O C00X C01B O00C -6.2(7) . . . . ?
C00Q C00X C01B O00C 176.8(5) . . . . ?
C01O C00X C01B C00T 173.9(4) . . . . ?
C00Q C00X C01B C00T -3.1(7) . . . . ?
C00W C00T C01B O00C -178.2(4) . . . . ?
C01D C00T C01B O00C 2.1(7) . . . . ?
C00W C00T C01B C00X 1.7(7) . . . . ?
C01D C00T C01B C00X -178.0(4) . . . . ?
C014 C013 C01C C01H 2.8(7) . . . . ?
C017 C013 C01C C01H -179.4(5) . . . . ?
C00W C00T C01D C01K -2.8(7) . . . . ?
C01B C00T C01D C01K 176.9(5) . . . . ?
Co02 O007 C01E O006 70.8(5) 1_465 . . . ?
Co02 O007 C01E C00V -104.6(4) 1_465 . . . ?
Co01 O006 C01E O007 59.2(6) 1_465 . . . ?
Co01 O006 C01E C00V -125.3(4) 1_465 . . . ?
C00U C00V C01E O007 -15.5(7) . . . . ?
C01M C00V C01E O007 163.6(5) . . . . ?
C00U C00V C01E O006 168.8(4) . . . . ?
C01M C00V C01E O006 -12.0(7) . . . . ?
C018 C00Y C01G C01V -3.0(7) . . . . ?
C00Z C00Y C01G C01V 178.9(5) . . . . ?
C013 C01C C01H C01F -2.0(7) . . . . ?
C013 C01C C01H C015 -178.5(4) . . . . ?
C01J C01F C01H C01C 0.6(7) . . . . ?
C01J C01F C01H C015 177.1(5) . . . . ?
C020 C015 C01H C01C 163.9(5) . . . . ?
C02T C015 C01H C01C -15.2(7) . . . . ?
C020 C015 C01H C01F -12.5(8) . . . . ?
C02T C015 C01H C01F 168.4(5) . . . . ?
C02J C01A C01I C01P -1.4(7) . . . . ?
N00E C01A C01I C01P -177.8(4) . . . . ?
C01H C01F C01J C014 -0.2(8) . . . . ?
N00E C014 C01J C01F -178.9(4) . . . . ?
C013 C014 C01J C01F 0.9(7) . . . . ?
C00T C01D C01K C01Y 3.2(8) . . . . ?
C00T C01D C01K C0 -175(3) . . . . ?
C00T C01D C01K C029 -174.8(5) . . . . ?
C00U C00V C01M C022 1.3(7) . . . . ?
C01E C00V C01M C022 -177.9(5) . . . . ?
C024 C01N C01O C00X -1.4(7) . . . . ?
C01S C01N C01O C00X 173.5(5) . . . . ?
C00Q C00X C01O C01N -3.5(7) . . . . ?
C01B C00X C01O C01N 179.3(4) . . . . ?
C01A C01I C01P C01T 2.6(7) . . . . ?
N00F C00Q C01Q C024 178.7(5) . . . . ?
C00X C00Q C01Q C024 -4.5(7) . . . . ?
C01O C01N C01S C035 161.7(6) . . . . ?
C024 C01N C01S C035 -23.4(8) . . . . ?
C01O C01N C01S C02K -26.2(8) . . . . ?
C024 C01N C01S C02K 148.6(5) . . . . ?
C01I C01P C01T C02Z -3.6(7) . . . . ?
C01I C01P C01T C02Y 178.1(5) . . . . ?
C00Y C01G C01V C011 0.3(8) . . . . ?
N00E C011 C01V C01G -177.4(5) . . . . ?
C00R C011 C01V C01G 2.9(7) . . . . ?
C00Q N00F C01W C01Z 93.7(5) . . . . ?
C00W N00F C01W C01Z -88.3(5) . . . . ?
C00Q N00F C01W C02R -82.2(5) . . . . ?
C00W N00F C01W C02R 95.8(5) . . . . ?
C01Z C01R C01X C02G -7.5(7) . . . . ?
C01Z C01R C01X C02W 174.2(4) . . . . ?
C01D C01K C01Y C028 -2.9(8) . . . . ?
C0 C01K C01Y C028 176.1(19) . . . . ?
C029 C01K C01Y C028 175.1(6) . . . . ?
C02R C01W C01Z C01R 3.9(7) . . . . ?
N00F C01W C01Z C01R -171.9(4) . . . . ?
C01X C01R C01Z C01W 2.7(7) . . . . ?
C02T C015 C020 C02D 2.1(8) . . . . ?
C01H C015 C020 C02D -177.1(5) . . . . ?
C00V C01M C022 C00Z -0.4(8) . . . . ?
C00S C00Z C022 C01M -0.1(7) . . . . ?
C00Y C00Z C022 C01M 177.4(5) . . . . ?
C00Q C01Q C024 C01N -0.7(8) . . . . ?
C01O C01N C024 C01Q 3.6(8) . . . . ?
C01S C01N C024 C01Q -171.5(5) . . . . ?
Co04 O00I C025 O009 25.3(8) . . . . ?
Co04 O00I C025 C026 -157.1(4) . . . . ?
Co01 O009 C025 O00I -7.5(8) . . . . ?
Co01 O009 C025 C026 174.8(3) . . . . ?
O00I C025 C026 C02C 179.8(5) . . . . ?
O009 C025 C026 C02C -2.3(8) . . . . ?
O00I C025 C026 C02X 3.2(8) . . . . ?
O009 C025 C026 C02X -178.9(5) . . . . ?
C01K C01Y C028 C00W 2.1(8) . . . . ?
C00T C00W C028 C01Y -1.5(7) . . . . ?
N00F C00W C028 C01Y 178.2(4) . . . . ?
C03D N016 C02A C03P 81.9(7) . . . . ?
C03V N016 C02A C03P -96.9(7) . . . . ?
C03D N016 C02A C02B -99.7(6) . . . . ?
C03V N016 C02A C02B 81.4(6) . . . . ?
C03P C02A C02B C02N 1.2(8) . . . . ?
N016 C02A C02B C02N -177.1(5) . . . . ?
C02X C026 C02C C03A -3.9(9) . . . . ?
C025 C026 C02C C03A 179.5(5) . . . . ?
C02F C019 C02D C020 -2.7(8) . . . . ?
C02E C019 C02D C020 176.1(5) . . . . ?
C015 C020 C02D C019 0.9(8) . . . . ?
Co01 O00K C02E O00D 13.5(9) . . . . ?
Co01 O00K C02E C019 -163.6(4) . . . . ?
Co04 O00D C02E O00K 6.5(7) . . . . ?
Co04 O00D C02E C019 -176.4(3) . . . . ?
C02D C019 C02E O00K -13.2(8) . . . . ?
C02F C019 C02E O00K 165.5(5) . . . . ?
C02D C019 C02E O00D 169.5(5) . . . . ?
C02F C019 C02E O00D -11.7(7) . . . . ?
C02D C019 C02F C02T 1.4(8) . . . . ?
C02E C019 C02F C02T -177.4(5) . . . . ?
C01R C01X C02G C02R 6.0(8) . . . . ?
C02W C01X C02G C02R -175.7(5) . . . . ?
C034 C01U C02H C02S 176.7(6) . . . . ?
C03D C01U C02H C02S -1.5(8) . . . . ?
C01I C01A C02J C02Z 1.4(7) . . . . ?
N00E C01A C02J C02Z 178.0(4) . . . . ?
C030 C021 C02K C01S 1.2(9) . . . . ?
C035 C01S C02K C021 0.5(9) . . . . ?
C01N C01S C02K C021 -171.8(5) . . . . ?
C02O C02I C02L C02P -2.4(10) . . . . ?
C03J C02I C02L C02P 176.2(6) . . . . ?
C02A C02B C02N C037 -0.9(8) . . . 1_655 ?
C02L C02I C02O C032 3.3(10) . . . . ?
C03J C02I C02O C032 -175.3(6) . . . . ?
C02I C02L C02P C02M -1.1(10) . . . . ?
C032 C02M C02P C02L 3.6(8) . . . . ?
C02S C02M C02P C02L -177.8(5) . . . . ?
C01Z C01W C02R C02G -5.3(7) . . . . ?
N00F C01W C02R C02G 170.5(4) . . . . ?
C01X C02G C02R C01W 0.2(8) . . . . ?
C01U C02H C02S C023 3.2(8) . . . . ?
C01U C02H C02S C02M -173.4(5) . . . . ?
C036 C023 C02S C02H -1.5(8) . . . . ?
C036 C023 C02S C02M 175.1(5) . . . . ?
C032 C02M C02S C02H -21.3(8) . . . . ?
C02P C02M C02S C02H 160.2(6) . . . . ?
C032 C02M C02S C023 162.3(5) . . . . ?
C02P C02M C02S C023 -16.2(8) . . . . ?
C019 C02F C02T C015 1.6(9) . . . . ?
C020 C015 C02T C02F -3.3(8) . . . . ?
C01H C015 C02T C02F 175.9(5) . . . . ?
C03N C02Q C02U C02V 2.0(9) . . . . ?
C02Q C02U C02V C03Y -0.3(9) . . . . ?
C02Q C02U C02V C031 -179.7(5) . . . . ?
C01R C01X C02W C03A -33.6(8) . . . . ?
C02G C01X C02W C03A 148.2(5) . . . . ?
C01R C01X C02W C03I 147.6(6) . . . . ?
C02G C01X C02W C03I -30.6(8) . . . . ?
C02C C026 C02X C03I 3.9(9) . . . . ?
C025 C026 C02X C03I -179.3(6) . . . . ?
C02Z C01T C02Y C3 -126.2(15) . . . . ?
C01P C01T C02Y C3 52.0(16) . . . . ?
C02Z C01T C02Y C04F -34.0(8) . . . . ?
C01P C01T C02Y C04F 144.2(6) . . . . ?
C02Z C01T C02Y C04E 147.3(6) . . . . ?
C01P C01T C02Y C04E -34.5(8) . . . . ?
C02Z C01T C02Y C5 25.3(13) . . . . ?
C01P C01T C02Y C5 -156.5(11) . . . . ?
C01A C02J C02Z C01T -2.6(8) . . . . ?
C01P C01T C02Z C02J 3.7(8) . . . . ?
C02Y C01T C02Z C02J -178.0(5) . . . . ?
C02K C021 C030 C03G -2.9(9) . . . . ?
C02K C021 C030 C03C 177.8(5) . . . . ?
Co02 O00H C031 O00P -14.0(9) 1_565 . . . ?
Co02 O00H C031 C02V 167.4(4) 1_565 . . . ?
Co05 O00P C031 O00H 5.0(8) 1_565 . . . ?
Co05 O00P C031 C02V -176.4(4) 1_565 . . . ?
C03Y C02V C031 O00H -171.2(6) . . . . ?
C02U C02V C031 O00H 8.2(8) . . . . ?
C03Y C02V C031 O00P 10.1(9) . . . . ?
C02U C02V C031 O00P -170.5(5) . . . . ?
C02I C02O C032 C02M -0.6(10) . . . . ?
C02P C02M C032 C02O -2.8(9) . . . . ?
C02S C02M C032 C02O 178.6(6) . . . . ?
C02H C01U C034 O01L 2.0(11) . . . . ?
C03D C01U C034 O01L -179.9(7) . . . . ?
C02H C01U C034 C03M -176.6(6) . . . . ?
C03D C01U C034 C03M 1.6(9) . . . . ?
C02K C01S C035 C03G -0.3(9) . . . . ?
C01N C01S C035 C03G 171.9(5) . . . . ?
C02S C023 C036 C03D -1.9(9) . . . . ?
C03Z C037 C038 C03S 137.6(6) . . . . ?
C02N C037 C038 C03S -47.2(9) 1_455 . . . ?
C03Z C037 C038 C03T -39.7(9) . . . . ?
C02N C037 C038 C03T 135.5(7) 1_455 . . . ?
C026 C02C C03A C02W -0.2(9) . . . . ?
C03I C02W C03A C02C 4.3(9) . . . . ?
C01X C02W C03A C02C -174.5(5) . . . . ?
Co02 O00O C03C O00N -27.0(11) 1_554 . . . ?
Co02 O00O C03C C030 153.2(4) 1_554 . . . ?
Co05 O00N C03C O00O 6.4(9) 1_554 . . . ?
Co05 O00N C03C C030 -173.8(4) 1_554 . . . ?
C03G C030 C03C O00O 174.9(6) . . . . ?
C021 C030 C03C O00O -5.8(9) . . . . ?
C03G C030 C03C O00N -4.9(9) . . . . ?
C021 C030 C03C O00N 174.4(5) . . . . ?
C023 C036 C03D N016 -176.4(5) . . . . ?
C023 C036 C03D C01U 3.7(9) . . . . ?
C03V N016 C03D C036 179.0(6) . . . . ?
C02A N016 C03D C036 0.2(9) . . . . ?
C03V N016 C03D C01U -1.1(9) . . . . ?
C02A N016 C03D C01U -179.9(5) . . . . ?
C02H C01U C03D C036 -2.0(8) . . . . ?
C034 C01U C03D C036 179.8(6) . . . . ?
C02H C01U C03D N016 178.1(5) . . . . ?
C034 C01U C03D N016 -0.2(9) . . . . ?
C03U C03B C03F C03S 2.2(11) . . . . ?
C046 C03B C03F C03S 178.9(6) . . . . ?
C021 C030 C03G C035 3.1(9) . . . . ?
C03C C030 C03G C035 -177.7(6) . . . . ?
C01S C035 C03G C030 -1.5(10) . . . . ?
C026 C02X C03I C02W 0.1(10) . . . . ?
C03A C02W C03I C02X -4.2(9) . . . . ?
C01X C02W C03I C02X 174.7(6) . . . . ?
Co02 O00L C03J O010 -73.2(8) . . . . ?
Co02 O00L C03J C02I 111.3(6) . . . . ?
Co03 O010 C03J O00L 1.4(9) . . . . ?
Co03 O010 C03J C02I 177.2(4) . . . . ?
C02O C02I C03J O00L 166.2(6) . . . . ?
C02L C02I C03J O00L -12.3(10) . . . . ?
C02O C02I C03J O010 -9.7(10) . . . . ?
C02L C02I C03J O010 171.7(6) . . . . ?
O01L C034 C03M C041 0.3(11) . . . . ?
C01U C034 C03M C041 179.0(7) . . . . ?
O01L C034 C03M C03V 179.5(7) . . . . ?
C01U C034 C03M C03V -1.8(9) . . . . ?
C02U C02Q C03N C049 -1.5(10) . . . . ?
C02U C02Q C03N C03Q -179.1(6) . . . . ?
Co01 O00G C03O N03R 152.1(6) . . . . ?
C02B C02A C03P C03Z -0.1(9) . . . 1_655 ?
N016 C02A C03P C03Z 178.1(5) . . . 1_655 ?
C03W C03L C03Q C041 -2.3(11) . . . . ?
C03W C03L C03Q C03N 179.1(7) . . . . ?
C02Q C03N C03Q C041 -144.4(7) . . . . ?
C049 C03N C03Q C041 38.2(11) . . . . ?
C02Q C03N C03Q C03L 34.1(10) . . . . ?
C049 C03N C03Q C03L -143.3(7) . . . . ?
O00G C03O N03R C04M -179.1(8) . . . . ?
O00G C03O N03R C04Y -2.5(12) . . . . ?
C03T C038 C03S C03F 1.3(10) . . . . ?
C037 C038 C03S C03F -176.2(6) . . . . ?
C03B C03F C03S C038 -3.5(11) . . . . ?
C03S C038 C03T C03U 2.0(9) . . . . ?
C037 C038 C03T C03U 179.4(6) . . . . ?
C03F C03B C03U C03T 1.1(10) . . . . ?
C046 C03B C03U C03T -175.6(6) . . . . ?
C038 C03T C03U C03B -3.3(10) . . . . ?
C03D N016 C03V C03M 0.7(9) . . . . ?
C02A N016 C03V C03M 179.5(6) . . . . ?
C03D N016 C03V C03W -175.6(6) . . . . ?
C02A N016 C03V C03W 3.2(9) . . . . ?
C041 C03M C03V N016 180.0(6) . . . . ?
C034 C03M C03V N016 0.8(10) . . . . ?
C041 C03M C03V C03W -3.5(10) . . . . ?
C034 C03M C03V C03W 177.3(6) . . . . ?
C03Q C03L C03W C03V -1.1(11) . . . . ?
N016 C03V C03W C03L -179.6(7) . . . . ?
C03M C03V C03W C03L 3.9(10) . . . . ?
C02U C02V C03Y C049 -1.6(10) . . . . ?
C031 C02V C03Y C049 177.7(6) . . . . ?
C02N C037 C03Z C03P 1.6(9) 1_455 . . 1_455 ?
C038 C037 C03Z C03P 177.0(6) . . . 1_455 ?
C4 C037 C03Z C03P -138.4(10) . . . 1_455 ?
C03L C03Q C041 C03M 2.7(11) . . . . ?
C03N C03Q C041 C03M -178.8(7) . . . . ?
C03V C03M C041 C03Q 0.3(11) . . . . ?
C034 C03M C041 C03Q 179.4(7) . . . . ?
Co05 O033 C042 O03H 1.6(10) 1_654 . . . ?
Co05 O033 C042 C045 177.7(8) 1_654 . . . ?
Co05 O03H C042 O033 -1.6(11) 1_654 . . . ?
Co05 O03H C042 C045 -178.0(7) 1_654 . . . ?
Co04 O03K C043 O040 20.8(14) 1_455 . . . ?
Co04 O03K C043 C04B -176.1(7) 1_455 . . . ?
Co04 O040 C043 O03K -20.1(14) 1_455 . . . ?
Co04 O040 C043 C04B 175.8(7) 1_455 . . . ?
O033 C042 C045 C04A -169.1(8) . . . . ?
O03H C042 C045 C04A 7.3(11) . . . . ?
O033 C042 C045 C044 5.4(12) . . . . ?
O03H C042 C045 C044 -178.2(7) . . . . ?
C044 C045 C04A C03X 0.0 . . . . ?
C042 C045 C04A C03X 174.3(7) . . . . ?
C045 C04A C03X C029 0.0 . . . . ?
C04A C03X C029 C03E 0.0 . . . . ?
C04A C03X C029 C01K -171.5(7) . . . . ?
C01D C01K C029 C03X -164.0(5) . . . . ?
C01Y C01K C029 C03X 18.0(8) . . . . ?
C01D C01K C029 C03E 24.5(7) . . . . ?
C01Y C01K C029 C03E -153.4(5) . . . . ?
C03X C029 C03E C044 0.0 . . . . ?
C01K C029 C03E C044 171.4(7) . . . . ?
C029 C03E C044 C045 0.0 . . . . ?
C04A C045 C044 C03E 0.0 . . . . ?
C042 C045 C044 C03E -174.7(7) . . . . ?
Co01 O00M C046 O012 -70.8(10) . . . . ?
Co01 O00M C046 C03B 111.6(6) . . . . ?
Co03 O012 C046 O00M 6.5(11) . . . . ?
Co03 O012 C046 C03B -175.8(5) . . . . ?
C03U C03B C046 O00M -20.3(10) . . . . ?
C03F C03B C046 O00M 163.0(7) . . . . ?
C03U C03B C046 O012 161.7(7) . . . . ?
C03F C03B C046 O012 -15.0(10) . . . . ?
C02V C03Y C049 C03N 2.0(12) . . . . ?
C02Q C03N C049 C03Y -0.5(11) . . . . ?
C03Q C03N C049 C03Y 177.1(7) . . . . ?
O03K C043 C04B C04H 158.1(11) . . . . ?
O040 C043 C04B C04H -36.8(13) . . . . ?
O03K C043 C04B C7 -111.5(17) . . . . ?
O040 C043 C04B C7 53.5(19) . . . . ?
O03K C043 C04B C6 90.5(16) . . . . ?
O040 C043 C04B C6 -104.4(15) . . . . ?
O03K C043 C04B C04G -24.4(13) . . . . ?
O040 C043 C04B C04G 140.7(10) . . . . ?
C04F C02Y C04E C04G 1.8(10) . . . . ?
C01T C02Y C04E C04G -179.5(6) . . . . ?
C04E C02Y C04F C04H 2.1(12) . . . . ?
C01T C02Y C04F C04H -176.5(7) . . . . ?
C02Y C04E C04G C04B -0.3(10) . . . . ?
C04H C04B C04G C04E -5.1(12) . . . . ?
C043 C04B C04G C04E 177.3(7) . . . . ?
C04G C04B C04H C04F 9.0(13) . . . . ?
C043 C04B C04H C04F -173.5(7) . . . . ?
C02Y C04F C04H C04B -8.1(14) . . . . ?
Co04 O04D C15 N7 -159.8(16) . . . . ?
C29 N7 C15 O04D -175.3(18) . . . . ?
C0AA N7 C15 O04D 18(3) . . . . ?
C01T C02Y C3 C7 174(2) . . . . ?
C5 C02Y C3 C7 21(3) . . . . ?
C03Z C037 C4 C17 127.8(15) . . . . ?
C02N C037 C4 C17 -17.8(17) 1_455 . . . ?
C03Z C037 C4 C96 -61.7(12) . . . . ?
C02N C037 C4 C96 152.6(7) 1_455 . . . ?
C96 C4 C17 C8 0.0 . . . . ?
C037 C4 C17 C8 169.0(19) . . . . ?
C4 C17 C8 C16 0.0 . . . . ?
C17 C8 C16 C44 0.0 . . . . ?
C17 C8 C16 C49 -173(2) . . . . ?
C8 C16 C44 C96 0.0 . . . . ?
C49 C16 C44 C96 172(2) . . . . ?
C16 C44 C96 C4 0.0 . . . . ?
C17 C4 C96 C44 0.0 . . . . ?
C037 C4 C96 C44 -173.2(12) . . . . ?
C3 C02Y C5 C6 -25(3) . . . . ?
C01T C02Y C5 C6 179.1(17) . . . . ?
C02Y C5 C6 C04B 7(3) . . . . ?
C7 C04B C6 C5 18(3) . . . . ?
C043 C04B C6 C5 177.4(17) . . . . ?
C6 C04B C7 C3 -25(3) . . . . ?
C043 C04B C7 C3 178.5(17) . . . . ?
C02Y C3 C7 C04B 3(4) . . . . ?
C8 C16 C49 O30 -22(4) . . . . ?
C44 C16 C49 O30 165(3) . . . . ?
C8 C16 C49 O112 166(3) . . . . ?
C44 C16 C49 O112 -6(5) . . . . ?
O30 C49 O112 Co03 -47(6) . . . . ?
C16 C49 O112 Co03 124(4) . . . . ?
O010 Co03 O112 C49 39(4) . . . . ?
O008 Co03 O112 C49 -104(4) . . . . ?
O00A Co03 O112 C49 148(4) . . . . ?
C62 N1AA C2AA O04C 17(3) . . . . ?
C21 N1AA C2AA O04C -166.6(11) . . . . ?
Co05 O04C C2AA N1AA -176.3(14) . . . . ?
C01D C01K C0 C4AA -159.0(15) . . . . ?
C01Y C01K C0 C4AA 22(3) . . . . ?
C01D C01K C0 C1AA 22(3) . . . . ?
C01Y C01K C0 C1AA -156.8(15) . . . . ?
C1AA C0 C4AA C3AA 0.0 . . . . ?
C01K C0 C4AA C3AA -179(4) . . . . ?
C0 C4AA C3AA C2 0.0 . . . . ?
C4AA C3AA C2 C1 0.0 . . . . ?
C4AA C3AA C2 C9 174(3) . . . . ?
C3AA C2 C1 C1AA 0.0 . . . . ?
C9 C2 C1 C1AA -174(3) . . . . ?
C2 C1 C1AA C0 0.0 . . . . ?
C4AA C0 C1AA C1 0.0 . . . . ?
C01K C0 C1AA C1 179(3) . . . . ?
Co1 O64 C9 O0 19(7) . . . . ?
Co1 O64 C9 C2 -147(3) . . . . ?
C3AA C2 C9 O0 -178(4) . . . . ?
C1 C2 C9 O0 -4(6) . . . . ?
C3AA C2 C9 O64 -12(5) . . . . ?
C1 C2 C9 O64 162(3) . . . . ?
O64 C9 O0 Co05 16(7) . . . 1_654 ?
C2 C9 O0 Co05 -179(3) . . . 1_654 ?

_refine_diff_density_max         1.346
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.075



