# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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_complex1
_database_code_depnum_ccdc_archive 'CCDC 1887353'
loop_
_audit_author_name
_audit_author_address
'Ang Li'
;Nankai University
China
;
_audit_update_record             
;
2018-12-26 deposited with the CCDC.	2019-04-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H46 Co6 N12 O39'
_chemical_formula_weight         2056.79

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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.2370(14)
_cell_length_b                   18.371(4)
_cell_length_c                   62.028(12)
_cell_angle_alpha                90
_cell_angle_beta                 92.02(3)
_cell_angle_gamma                90
_cell_volume                     8242(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    21004
_cell_measurement_theta_min      2.312
_cell_measurement_theta_max      60.026

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_F_000             4144
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.282
_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      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  Bruke
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36432
_diffrn_reflns_av_unetI/netI     0.1271
_diffrn_reflns_av_R_equivalents  0.1443
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -86
_diffrn_reflns_limit_l_max       86
_diffrn_reflns_theta_min         1.156
_diffrn_reflns_theta_max         30.013
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.874
_diffrn_measured_fraction_theta_full 0.872
_diffrn_reflns_Laue_measured_fraction_max 0.874
_diffrn_reflns_Laue_measured_fraction_full 0.872
_diffrn_reflns_point_group_measured_fraction_max 0.874
_diffrn_reflns_point_group_measured_fraction_full 0.872
_reflns_number_total             21004
_reflns_number_gt                17179
_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.
 
 _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    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.1272P)²+769.8277P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21004
_refine_ls_number_parameters     1172
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.2548
_refine_ls_R_factor_gt           0.2394
_refine_ls_wR_factor_ref         0.5615
_refine_ls_wR_factor_gt          0.5551
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001

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 0.24673(15) 0.54610(5) 0.02735(2) 0.0273(2) Uani 1 1 d . . . . .
Co2 Co 0.26466(15) 0.03906(6) -0.03088(2) 0.0281(2) Uani 1 1 d . . . . .
Co3 Co -0.29261(14) 0.53908(5) 0.23040(2) 0.0250(2) Uani 1 1 d . . . . .
Co4 Co -0.13214(14) 0.45326(5) 0.26687(2) 0.0247(2) Uani 1 1 d . . . . .
Co5 Co -0.01851(14) 0.65458(5) 0.38291(2) 0.0250(2) Uani 1 1 d . . . . .
Co6 Co -0.47529(14) 0.34829(5) 0.11841(2) 0.0248(2) Uani 1 1 d . . . . .
O21 O -0.3439(8) 0.8791(3) 0.25750(7) 0.0348(14) Uani 1 1 d . . . . .
O35W O -0.1995(6) 0.3439(3) 0.11731(6) 0.0217(10) Uani 1 1 d . . . . .
H35W H -0.164038 0.373110 0.108340 0.033 Uiso 1 1 calc R U . . .
O22 O -0.2232(7) 0.9399(3) 0.28586(7) 0.0264(12) Uani 1 1 d . . . . .
O36W O -0.7598(7) 0.3517(2) 0.11692(6) 0.0242(11) Uani 1 1 d . . . . .
H36W H -0.797679 0.364344 0.128651 0.036 Uiso 1 1 calc R U . . .
O23 O -0.0355(7) 0.8015(3) 0.35133(7) 0.0293(12) Uani 1 1 d . . . . .
O33W O -0.3019(7) 0.6613(2) 0.38325(6) 0.0205(10) Uani 1 1 d . . . . .
H33W H -0.345735 0.652917 0.371140 0.031 Uiso 1 1 calc R U . . .
O24 O -0.0270(8) 0.6797(3) 0.35050(7) 0.0331(14) Uani 1 1 d . . . . .
O34W O 0.2615(7) 0.6549(3) 0.38344(7) 0.0264(12) Uani 1 1 d . . . . .
H34W H 0.300342 0.616588 0.388671 0.040 Uiso 1 1 calc R U . . .
O20 O -0.2633(7) 0.6185(3) 0.25276(7) 0.0270(12) Uani 1 1 d . . . . .
O19 O -0.1378(8) 0.5554(3) 0.28062(7) 0.0293(12) Uani 1 1 d . . . . .
O25W O 0.5258(6) 0.5410(3) 0.02672(7) 0.0215(5) Uani 1 1 d . U . . .
H25W H 0.558374 0.545653 0.014267 0.032 Uiso 1 1 calc R U . . .
O8 O 0.2731(8) 0.3959(3) 0.00307(7) 0.0276(12) Uani 1 1 d . . . . .
O26W O -0.0314(9) 0.5408(3) 0.02604(7) 0.0359(15) Uani 1 1 d . . . . .
H26W H -0.063953 0.498052 0.026357 0.054 Uiso 1 1 calc R U . . .
O7 O 0.2267(8) 0.4367(3) 0.03639(7) 0.0318(13) Uani 1 1 d . . . . .
O18 O -0.2727(8) 0.4396(3) 0.21668(7) 0.0331(14) Uani 1 1 d . . . . .
O12 O 0.0254(7) 0.2582(2) 0.09238(7) 0.0233(11) Uani 1 1 d . . . . .
O17 O -0.1646(8) 0.3738(3) 0.24468(7) 0.0304(13) Uani 1 1 d . . . . .
O11 O 0.0191(7) 0.1419(3) 0.08387(7) 0.0259(12) Uani 1 1 d . . . . .
O30W O -0.5679(8) 0.5648(3) 0.22005(8) 0.0343(14) Uani 1 1 d . . . . .
H30W H -0.639869 0.550067 0.228989 0.051 Uiso 1 1 calc R U . . .
O14A O -0.4722(8) 0.1929(3) 0.14871(8) 0.0313(13) Uani 1 1 d . . . . .
O31W O -0.4206(8) 0.4793(3) 0.25664(8) 0.0323(13) Uani 1 1 d . . . . .
O10 O 0.2246(9) 0.0588(3) 0.01128(8) 0.0346(14) Uani 1 1 d . . . . .
O29W O 0.0024(7) 0.5142(3) 0.24100(7) 0.0298(13) Uani 1 1 d . . . . .
O13 O -0.4673(8) 0.3148(3) 0.14984(7) 0.0305(13) Uani 1 1 d . . . . .
O32W O 0.1233(10) 0.4157(6) 0.27721(10) 0.071(3) Uani 1 1 d . . . . .
H32W H 0.204006 0.440251 0.271772 0.106 Uiso 1 1 calc R U . . .
O1 O 0.2443(7) 0.6543(2) 0.01392(8) 0.0262(12) Uani 1 1 d . . . . .
O28W O -0.0126(7) 0.0217(3) -0.03612(8) 0.0310(12) Uani 1 1 d . . . . .
H28W H -0.039831 -0.018694 -0.031609 0.046 Uiso 1 1 calc R U . . .
O2 O 0.2572(8) 0.5696(3) -0.01047(8) 0.0343(14) Uani 1 1 d . . . . .
O6 O 0.4790(8) 0.7428(3) -0.09462(7) 0.0286(12) Uani 1 1 d . . . . .
O5 O 0.4670(8) 0.6274(3) -0.08455(8) 0.0312(13) Uani 1 1 d . . . . .
O4 O 0.3437(9) 0.9421(4) -0.04216(8) 0.0409(15) Uani 1 1 d . . . . .
O3 O 0.2486(8) 0.9125(3) -0.01007(8) 0.0327(14) Uani 1 1 d . . . . .
O16 O -0.2380(9) 0.1121(3) 0.24534(7) 0.0337(14) Uani 1 1 d . . . . .
O15 O -0.3880(10) 0.0555(3) 0.21729(9) 0.0467(17) Uani 1 1 d . . . . .
N4 N 0.0035(9) 0.7792(3) 0.14892(9) 0.0255(13) Uani 1 1 d . . . . .
N1 N 0.2562(9) 0.5846(3) 0.05941(9) 0.0285(14) Uani 1 1 d . . . . .
N5 N 0.0578(10) 0.6616(4) 0.13325(9) 0.0317(16) Uani 1 1 d . . . . .
N6 N 0.1204(10) 0.7745(3) 0.11403(9) 0.0332(16) Uani 1 1 d . . . . .
N2 N -0.1787(11) 0.5967(4) 0.20464(9) 0.0359(17) Uani 1 1 d . . . . .
N3 N 0.0334(10) 1.0404(4) 0.12358(10) 0.0351(16) Uani 1 1 d . . . . .
N8 N 0.4583(10) 0.5409(3) -0.12802(9) 0.0286(15) Uani 1 1 d . . . . .
N12 N 0.5152(9) 0.2791(4) -0.15363(9) 0.0304(15) Uani 1 1 d . . . . .
N11 N 0.3887(8) 0.2717(4) -0.11901(9) 0.0269(14) Uani 1 1 d . . . . .
N7 N 0.2976(9) 0.0896(3) -0.06151(9) 0.0273(14) Uani 1 1 d . . . . .
N10 N 0.4714(9) 0.1648(3) -0.13704(9) 0.0274(14) Uani 1 1 d . . . . .
N9 N 0.7453(9) 0.0999(3) -0.20735(9) 0.0281(14) Uani 1 1 d . . . . .
O9 O 0.2147(7) 0.1362(3) -0.01527(8) 0.0270(12) Uani 1 1 d . . . . .
C1 C 0.0617(11) 0.8110(4) 0.13085(11) 0.0287(16) Uani 1 1 d . . . . .
C2 C -0.4532(9) 0.2545(5) 0.15827(10) 0.0296(17) Uani 1 1 d . . . . .
C3 C 0.0078(12) 0.7085(4) 0.14935(11) 0.0303(17) Uani 1 1 d . . . . .
C4 C 0.1115(9) 0.6994(5) 0.11569(10) 0.0313(18) Uani 1 1 d . . . . .
C5 C 0.1680(10) 0.6574(4) 0.09674(11) 0.0254(15) Uani 1 1 d . . . . .
C6 C 0.2642(13) 0.6928(4) 0.08045(11) 0.0339(19) Uani 1 1 d . . . . .
H6 H 0.302173 0.740967 0.081824 0.041 Uiso 1 1 calc R U . . .
C7 C 0.2995(10) 0.6522(5) 0.06228(11) 0.0310(17) Uani 1 1 d . . . . .
H7 H 0.359289 0.675597 0.051201 0.037 Uiso 1 1 calc R U . . .
C8 C 0.1328(11) 0.5853(4) 0.09479(11) 0.0297(17) Uani 1 1 d . . . . .
H8 H 0.083685 0.559776 0.106201 0.036 Uiso 1 1 calc R U . . .
C9 C 0.1710(12) 0.5488(4) 0.07532(11) 0.0320(18) Uani 1 1 d . . . . .
H9 H 0.137396 0.500320 0.073485 0.038 Uiso 1 1 calc R U . . .
C10 C 0.0532(11) 0.8890(4) 0.12895(11) 0.0300(3) Uani 1 1 d . U . . .
C11 C -0.0161(11) 0.9378(4) 0.14474(11) 0.0298(17) Uani 1 1 d . . . . .
H11 H -0.055254 0.918564 0.157681 0.036 Uiso 1 1 calc R U . . .
C12 C -0.0270(10) 1.0088(4) 0.14175(11) 0.0271(16) Uani 1 1 d . . . . .
H12 H -0.077208 1.037804 0.152356 0.032 Uiso 1 1 calc R U . . .
C13 C 0.1032(10) 1.0004(4) 0.10846(12) 0.0303(17) Uani 1 1 d . . . . .
H13 H 0.145438 1.023009 0.096157 0.036 Uiso 1 1 calc R U . . .
C14 C 0.1162(10) 0.9255(4) 0.11020(11) 0.0267(16) Uani 1 1 d . . . . .
H14 H 0.166208 0.898662 0.099102 0.032 Uiso 1 1 calc R U . . .
C15 C -0.0551(12) 0.6693(4) 0.16924(10) 0.0326(18) Uani 1 1 d . . . . .
C16 C -0.1279(14) 0.7085(5) 0.18641(11) 0.043(2) Uani 1 1 d . . . . .
H16 H -0.138883 0.758896 0.186060 0.051 Uiso 1 1 calc R U . . .
C17 C -0.1814(11) 0.6687(3) 0.20353(11) 0.0276(16) Uani 1 1 d . . . . .
H17 H -0.223218 0.694000 0.215400 0.033 Uiso 1 1 calc R U . . .
C18 C -0.1037(15) 0.5594(5) 0.18861(11) 0.044(2) Uani 1 1 d . . . . .
H18 H -0.094070 0.509032 0.189627 0.053 Uiso 1 1 calc R U . . .
C19 C -0.0410(12) 0.5940(4) 0.17075(11) 0.0345(19) Uani 1 1 d . . . . .
H19 H 0.010644 0.567415 0.159725 0.041 Uiso 1 1 calc R U . . .
C20 C -0.1317(10) 0.6785(5) 0.30677(10) 0.0292(17) Uani 1 1 d . . . . .
H20 H -0.108822 0.633876 0.313405 0.035 Uiso 1 1 calc R U . . .
C21 C -0.1875(9) 0.6812(3) 0.28480(9) 0.0198(13) Uani 1 1 d . . . . .
C22 C -0.2275(12) 0.7461(4) 0.27545(10) 0.0310(17) Uani 1 1 d . . . . .
H22 H -0.265827 0.746804 0.260979 0.037 Uiso 1 1 calc R U . . .
C23 C -0.2140(11) 0.8117(4) 0.28649(11) 0.0288(17) Uani 1 1 d . . . . .
C24 C -0.1573(10) 0.8085(4) 0.30856(10) 0.0273(16) Uani 1 1 d . . . . .
H24 H -0.151234 0.851386 0.316516 0.033 Uiso 1 1 calc R U . . .
C25 C -0.1105(8) 0.7432(5) 0.31869(10) 0.0292(17) Uani 1 1 d . . . . .
C26 C -0.2647(12) 0.8841(5) 0.27642(10) 0.0352(19) Uani 1 1 d . . . . .
C27 C -0.0541(10) 0.7425(4) 0.34171(10) 0.0251(15) Uani 1 1 d . . . . .
C28 C -0.1936(9) 0.6133(4) 0.27173(10) 0.0236(3) Uani 1 1 d . U . . .
C29 C 0.1268(10) 0.2955(3) 0.05004(10) 0.0237(15) Uani 1 1 d . . . . .
H29 H 0.101550 0.333214 0.059511 0.028 Uiso 1 1 calc R U . . .
C30 C 0.0962(10) 0.2236(3) 0.05588(9) 0.0226(14) Uani 1 1 d . . . . .
C31 C 0.1208(10) 0.1653(4) 0.04125(11) 0.0306(17) Uani 1 1 d . . . . .
H31 H 0.097732 0.117485 0.045269 0.037 Uiso 1 1 calc R U . . .
C32 C 0.1804(10) 0.1816(5) 0.02080(11) 0.0325(18) Uani 1 1 d . . . . .
C33 C 0.2092(13) 0.2542(5) 0.01479(11) 0.041(2) Uani 1 1 d . . . . .
H33 H 0.237177 0.264519 0.000598 0.050 Uiso 1 1 calc R U . . .
C34 C 0.1973(11) 0.3109(4) 0.02934(11) 0.0299(17) Uani 1 1 d . . . . .
C35 C 0.2134(9) 0.1206(4) 0.00519(10) 0.0234(14) Uani 1 1 d . . . . .
C36 C 0.0409(9) 0.2072(4) 0.07874(10) 0.0252(15) Uani 1 1 d . . . . .
C37 C 0.2307(12) 0.3887(4) 0.02291(10) 0.0315(18) Uani 1 1 d . . . . .
C38 C 0.5203(13) 0.5095(5) -0.14599(11) 0.039(2) Uani 1 1 d . . . . .
H38 H 0.571743 0.538733 -0.156450 0.046 Uiso 1 1 calc R U . . .
C39 C 0.5097(13) 0.4331(4) -0.14947(11) 0.035(2) Uani 1 1 d . . . . .
H39 H 0.542577 0.413315 -0.162600 0.042 Uiso 1 1 calc R U . . .
C40 C 0.4526(12) 0.3902(4) -0.13386(11) 0.0311(18) Uani 1 1 d . . . . .
C41 C 0.3769(9) 0.4192(4) -0.11560(11) 0.0277(16) Uani 1 1 d . . . . .
H41 H 0.318112 0.390287 -0.105607 0.033 Uiso 1 1 calc R U . . .
C42 C 0.3941(11) 0.4951(4) -0.11303(12) 0.0294(17) Uani 1 1 d . . . . .
H42 H 0.358600 0.515173 -0.100041 0.035 Uiso 1 1 calc R U . . .
C43 C 0.4521(11) 0.3094(4) -0.13587(11) 0.0290(17) Uani 1 1 d . . . . .
C44 C 0.2689(11) 0.6372(4) -0.00566(10) 0.0271(16) Uani 1 1 d . . . . .
C45 C 0.3623(9) 0.6693(4) -0.04308(9) 0.0247(15) Uani 1 1 d . . . . .
H45 H 0.376119 0.620342 -0.046475 0.030 Uiso 1 1 calc R U . . .
C46 C 0.3993(10) 0.7212(5) -0.05828(11) 0.036(2) Uani 1 1 d . . . . .
C47 C 0.3822(10) 0.7937(4) -0.05324(10) 0.0306(17) Uani 1 1 d . . . . .
H47 H 0.402870 0.828850 -0.063677 0.037 Uiso 1 1 calc R U . . .
C48 C 0.3347(11) 0.8148(3) -0.03289(10) 0.0268(16) Uani 1 1 d . . . . .
C49 C 0.2959(10) 0.7610(3) -0.01739(10) 0.0256(15) Uani 1 1 d . . . . .
H49 H 0.264844 0.775152 -0.003589 0.031 Uiso 1 1 calc R U . . .
C50 C 0.3031(10) 0.6890(4) -0.02225(9) 0.0240(15) Uani 1 1 d . . . . .
C51 C 0.3103(11) 0.8933(4) -0.02759(10) 0.0297(17) Uani 1 1 d . . . . .
C52 C 0.4590(10) 0.6933(5) -0.08028(10) 0.0317(18) Uani 1 1 d . . . . .
C53 C 0.2939(10) 0.1633(3) -0.06318(10) 0.0245(15) Uani 1 1 d . . . . .
H53 H 0.269010 0.190190 -0.050919 0.029 Uiso 1 1 calc R U . . .
C54 C 0.3247(13) 0.2001(5) -0.08182(11) 0.039(2) Uani 1 1 d . . . . .
H54 H 0.318619 0.250626 -0.082413 0.047 Uiso 1 1 calc R U . . .
C55 C 0.3664(11) 0.1584(4) -0.10025(10) 0.0293(16) Uani 1 1 d . . . . .
C56 C 0.3716(12) 0.0837(4) -0.09893(11) 0.0307(18) Uani 1 1 d . . . . .
H56 H 0.396373 0.056103 -0.111053 0.037 Uiso 1 1 calc R U . . .
C57 C 0.3402(11) 0.0501(4) -0.07965(11) 0.0324(18) Uani 1 1 d . . . . .
H57 H 0.347734 -0.000338 -0.078773 0.039 Uiso 1 1 calc R U . . .
C58 C 0.4034(11) 0.2005(4) -0.11998(10) 0.0275(16) Uani 1 1 d . . . . .
C59 C 0.7330(13) 0.1727(5) -0.20650(12) 0.037(2) Uani 1 1 d . . . . .
H59 H 0.780075 0.200335 -0.217613 0.045 Uiso 1 1 calc R U . . .
C60 C 0.6527(15) 0.2073(4) -0.18966(11) 0.042(2) Uani 1 1 d . . . . .
H60 H 0.643327 0.257789 -0.189711 0.051 Uiso 1 1 calc R U . . .
C61 C 0.5923(10) 0.0927(4) -0.17382(11) 0.0299(17) Uani 1 1 d . . . . .
H61 H 0.541281 0.064501 -0.163080 0.036 Uiso 1 1 calc R U . . .
C62 C 0.6764(12) 0.0603(4) -0.19126(11) 0.036(2) Uani 1 1 d . . . . .
H62 H 0.685138 0.009839 -0.191802 0.043 Uiso 1 1 calc R U . . .
C63 C 0.5867(10) 0.1690(4) -0.17291(10) 0.0268(16) Uani 1 1 d . . . . .
C64 C 0.5111(12) 0.2061(5) -0.15350(11) 0.037(2) Uani 1 1 d . . . . .
C65 C -0.2368(9) 0.3814(4) 0.22591(10) 0.0249(15) Uani 1 1 d . . . . .
C66 C -0.2788(9) 0.3112(4) 0.21385(10) 0.0270(16) Uani 1 1 d . . . . .
C67 C -0.2614(11) 0.2442(4) 0.22427(11) 0.0321(18) Uani 1 1 d . . . . .
H67 H -0.209829 0.241928 0.238197 0.038 Uiso 1 1 calc R U . . .
C68 C -0.3200(11) 0.1813(5) 0.21405(10) 0.0321(18) Uani 1 1 d . . . . .
C69 C -0.3859(10) 0.1841(4) 0.19262(10) 0.0289(16) Uani 1 1 d . . . . .
H69 H -0.429423 0.142238 0.185681 0.035 Uiso 1 1 calc R U . . .
C70 C -0.3855(12) 0.2504(4) 0.18184(10) 0.0302(18) Uani 1 1 d . . . . .
C71 C -0.3386(10) 0.3142(3) 0.19256(10) 0.0228(14) Uani 1 1 d . . . . .
H71 H -0.347389 0.358637 0.185431 0.027 Uiso 1 1 calc R U . . .
C72 C -0.3182(11) 0.1123(5) 0.22645(12) 0.0335(3) Uani 1 1 d . U . . .
O38 O 0.2204(9) 0.8723(3) 0.05588(9) 0.0362(15) Uani 1 1 d . . . . .
O37 O 0.0280(8) 0.7574(3) 0.03417(8) 0.0369(14) Uani 1 1 d . . . . .
O39 O 0.7882(12) 0.6590(3) 0.05752(12) 0.058(2) Uani 1 1 d . . . . .
O27 O 0.5471(7) 0.0549(3) -0.02547(7) 0.0240(6) Uani 1 1 d . U . . .
H27 H 0.601946 0.043516 -0.036311 0.036 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O26W 2.014(7) . ?
Co1 O25W 2.024(5) . ?
Co1 O7 2.092(6) . ?
Co1 N1 2.109(6) . ?
Co1 O1 2.155(5) . ?
Co1 O2 2.389(5) . ?
Co2 O4 2.004(7) 1_545 ?
Co2 O28W 2.046(5) . ?
Co2 O9 2.068(5) . ?
Co2 O27 2.080(5) . ?
Co2 N7 2.135(6) . ?
Co3 O20 2.019(5) . ?
Co3 O18 2.022(5) . ?
Co3 N2 2.109(6) . ?
Co3 O30W 2.125(6) . ?
Co3 O31W 2.195(6) . ?
Co3 O29W 2.259(6) . ?
Co3 Co4 2.9610(14) . ?
Co4 O17 2.015(5) . ?
Co4 O32W 2.054(8) . ?
Co4 O19 2.063(5) . ?
Co4 N9 2.097(6) 4_466 ?
Co4 O29W 2.210(5) . ?
Co4 O31W 2.213(6) . ?
Co5 O34W 2.025(6) . ?
Co5 O33W 2.055(5) . ?
Co5 O24 2.062(5) . ?
Co5 O11 2.073(5) 2 ?
Co5 N3 2.138(7) 2_545 ?
Co6 O35W 2.001(5) . ?
Co6 O13 2.043(5) . ?
Co6 O36W 2.059(5) . ?
Co6 N8 2.124(6) 3_565 ?
Co6 O5 2.151(5) 3_565 ?
Co6 O6 2.231(5) 3_565 ?
Co6 C52 2.493(7) 3_565 ?
O21 C26 1.291(8) . ?
O35W H35W 0.8200 . ?
O22 C26 1.213(10) . ?
O36W H36W 0.8200 . ?
O23 C27 1.242(9) . ?
O33W H33W 0.8200 . ?
O24 C27 1.288(9) . ?
O34W H34W 0.8200 . ?
O20 C28 1.267(7) . ?
O19 C28 1.258(8) . ?
O25W H25W 0.8200 . ?
O8 C37 1.285(8) . ?
O26W H26W 0.8200 . ?
O7 C37 1.217(9) . ?
O18 C65 1.236(9) . ?
O12 C36 1.269(8) . ?
O17 C65 1.267(8) . ?
O11 C36 1.254(9) . ?
O30W H30W 0.8200 . ?
O14A C2 1.283(10) . ?
O10 C35 1.199(8) . ?
O13 C2 1.228(10) . ?
O32W H32W 0.8200 . ?
O1 C44 1.273(8) . ?
O28W H28W 0.8200 . ?
O2 C44 1.280(9) . ?
O6 C52 1.284(9) . ?
O5 C52 1.241(10) . ?
O4 C51 1.302(9) . ?
O3 C51 1.240(9) . ?
O16 C72 1.289(9) . ?
O15 C72 1.282(10) . ?
N4 C3 1.301(8) . ?
N4 C1 1.345(9) . ?
N1 C7 1.293(10) . ?
N1 C9 1.352(9) . ?
N5 C4 1.361(10) . ?
N5 C3 1.376(9) . ?
N6 C1 1.323(9) . ?
N6 C4 1.385(11) . ?
N2 C17 1.325(9) . ?
N2 C18 1.338(11) . ?
N3 C13 1.306(10) . ?
N3 C12 1.354(9) . ?
N8 C38 1.346(10) . ?
N8 C42 1.348(9) . ?
N12 C43 1.330(9) . ?
N12 C64 1.342(11) . ?
N11 C58 1.313(9) . ?
N11 C43 1.348(9) . ?
N7 C53 1.359(9) . ?
N7 C57 1.382(9) . ?
N10 C64 1.312(10) . ?
N10 C58 1.352(9) . ?
N9 C59 1.341(10) . ?
N9 C62 1.345(10) . ?
O9 C35 1.301(8) . ?
C1 C10 1.438(11) . ?
C2 C70 1.527(9) . ?
C3 C15 1.512(10) . ?
C4 C5 1.476(10) . ?
C5 C8 1.353(9) . ?
C5 C6 1.407(10) . ?
C6 C7 1.382(10) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.417(10) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C14 1.431(10) . ?
C10 C11 1.432(10) . ?
C11 C12 1.320(10) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.384(10) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C19 1.389(11) . ?
C15 C16 1.403(11) . ?
C16 C17 1.356(10) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.369(11) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C25 1.405(11) . ?
C20 C21 1.409(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.353(9) . ?
C21 C28 1.488(9) . ?
C22 C23 1.387(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.416(9) . ?
C23 C26 1.511(11) . ?
C24 C25 1.390(10) . ?
C24 H24 0.9300 . ?
C25 C27 1.471(9) . ?
C29 C30 1.389(8) . ?
C29 C34 1.426(9) . ?
C29 H29 0.9300 . ?
C30 C31 1.420(9) . ?
C30 C36 1.517(9) . ?
C31 C32 1.386(10) . ?
C31 H31 0.9300 . ?
C32 C33 1.402(13) . ?
C32 C35 1.506(10) . ?
C33 C34 1.383(11) . ?
C33 H33 0.9300 . ?
C34 C37 1.506(11) . ?
C38 C39 1.423(12) . ?
C38 H38 0.9300 . ?
C39 C40 1.325(10) . ?
C39 H39 0.9300 . ?
C40 C41 1.382(10) . ?
C40 C43 1.490(10) . ?
C41 C42 1.410(10) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C44 C50 1.430(9) . ?
C45 C46 1.374(11) . ?
C45 C50 1.422(9) . ?
C45 H45 0.9300 . ?
C46 C47 1.375(13) . ?
C46 C52 1.534(10) . ?
C47 C48 1.375(9) . ?
C47 H47 0.9300 . ?
C48 C49 1.414(9) . ?
C48 C51 1.492(9) . ?
C49 C50 1.357(9) . ?
C49 H49 0.9300 . ?
C53 C54 1.365(10) . ?
C53 H53 0.9300 . ?
C54 C55 1.418(10) . ?
C54 H54 0.9300 . ?
C55 C56 1.374(10) . ?
C55 C58 1.480(9) . ?
C56 C57 1.372(10) . ?
C56 H56 0.9300 . ?
C57 H57 0.9300 . ?
C59 C60 1.370(11) . ?
C59 H59 0.9300 . ?
C60 C63 1.355(10) . ?
C60 H60 0.9300 . ?
C61 C62 1.393(10) . ?
C61 C63 1.404(11) . ?
C61 H61 0.9300 . ?
C62 H62 0.9300 . ?
C63 C64 1.503(10) . ?
C65 C66 1.516(10) . ?
C66 C71 1.376(8) . ?
C66 C67 1.395(11) . ?
C67 C68 1.378(11) . ?
C67 H67 0.9300 . ?
C68 C69 1.398(9) . ?
C68 C72 1.482(11) . ?
C69 C70 1.390(10) . ?
C69 H69 0.9300 . ?
C70 C71 1.384(9) . ?
C71 H71 0.9300 . ?
O27 H27 0.8200 . ?

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
O26W Co1 O25W 173.6(2) . . ?
O26W Co1 O7 83.4(2) . . ?
O25W Co1 O7 92.3(2) . . ?
O26W Co1 N1 93.1(2) . . ?
O25W Co1 N1 92.0(2) . . ?
O7 Co1 N1 94.0(2) . . ?
O26W Co1 O1 92.0(2) . . ?
O25W Co1 O1 91.7(2) . . ?
O7 Co1 O1 171.73(19) . . ?
N1 Co1 O1 93.1(2) . . ?
O26W Co1 O2 92.04(19) . . ?
O25W Co1 O2 85.60(19) . . ?
O7 Co1 O2 116.21(19) . . ?
N1 Co1 O2 149.8(2) . . ?
O1 Co1 O2 56.90(19) . . ?
O4 Co2 O28W 95.5(2) 1_545 . ?
O4 Co2 O9 170.7(2) 1_545 . ?
O28W Co2 O9 91.3(2) . . ?
O4 Co2 O27 83.7(2) 1_545 . ?
O28W Co2 O27 179.1(2) . . ?
O9 Co2 O27 89.5(2) . . ?
O4 Co2 N7 91.9(2) 1_545 . ?
O28W Co2 N7 93.8(2) . . ?
O9 Co2 N7 93.9(2) . . ?
O27 Co2 N7 86.7(2) . . ?
O20 Co3 O18 159.1(2) . . ?
O20 Co3 N2 97.1(2) . . ?
O18 Co3 N2 95.7(2) . . ?
O20 Co3 O30W 97.0(2) . . ?
O18 Co3 O30W 98.9(2) . . ?
N2 Co3 O30W 92.7(3) . . ?
O20 Co3 O31W 83.6(2) . . ?
O18 Co3 O31W 84.2(2) . . ?
N2 Co3 O31W 178.0(3) . . ?
O30W Co3 O31W 85.4(2) . . ?
O20 Co3 O29W 82.6(2) . . ?
O18 Co3 O29W 81.9(2) . . ?
N2 Co3 O29W 86.1(2) . . ?
O30W Co3 O29W 178.6(2) . . ?
O31W Co3 O29W 95.9(2) . . ?
O20 Co3 Co4 80.25(14) . . ?
O18 Co3 Co4 78.96(14) . . ?
N2 Co3 Co4 133.9(2) . . ?
O30W Co3 Co4 133.44(16) . . ?
O31W Co3 Co4 48.05(15) . . ?
O29W Co3 Co4 47.81(13) . . ?
O17 Co4 O32W 93.0(3) . . ?
O17 Co4 O19 159.8(2) . . ?
O32W Co4 O19 102.0(3) . . ?
O17 Co4 N9 98.1(2) . 4_466 ?
O32W Co4 N9 90.3(3) . 4_466 ?
O19 Co4 N9 95.4(2) . 4_466 ?
O17 Co4 O29W 85.1(2) . . ?
O32W Co4 O29W 89.0(3) . . ?
O19 Co4 O29W 81.7(2) . . ?
N9 Co4 O29W 176.7(2) 4_466 . ?
O17 Co4 O31W 82.8(2) . . ?
O32W Co4 O31W 172.5(3) . . ?
O19 Co4 O31W 83.6(2) . . ?
N9 Co4 O31W 84.2(2) 4_466 . ?
O29W Co4 O31W 96.8(2) . . ?
O17 Co4 Co3 80.26(14) . . ?
O32W Co4 Co3 137.9(2) . . ?
O19 Co4 Co3 79.53(14) . . ?
N9 Co4 Co3 131.74(19) 4_466 . ?
O29W Co4 Co3 49.21(14) . . ?
O31W Co4 Co3 47.54(14) . . ?
O34W Co5 O33W 176.1(2) . . ?
O34W Co5 O24 90.6(2) . . ?
O33W Co5 O24 90.1(2) . . ?
O34W Co5 O11 91.23(19) . 2 ?
O33W Co5 O11 87.68(19) . 2 ?
O24 Co5 O11 173.3(2) . 2 ?
O34W Co5 N3 92.8(2) . 2_545 ?
O33W Co5 N3 91.0(2) . 2_545 ?
O24 Co5 N3 92.1(2) . 2_545 ?
O11 Co5 N3 94.3(2) 2 2_545 ?
O35W Co6 O13 91.5(2) . . ?
O35W Co6 O36W 175.42(17) . . ?
O13 Co6 O36W 92.7(2) . . ?
O35W Co6 N8 90.0(2) . 3_565 ?
O13 Co6 N8 91.2(2) . 3_565 ?
O36W Co6 N8 91.8(2) . 3_565 ?
O35W Co6 O5 84.98(19) . 3_565 ?
O13 Co6 O5 173.6(2) . 3_565 ?
O36W Co6 O5 90.67(19) . 3_565 ?
N8 Co6 O5 94.1(2) 3_565 3_565 ?
O35W Co6 O6 86.34(19) . 3_565 ?
O13 Co6 O6 113.9(2) . 3_565 ?
O36W Co6 O6 90.26(19) . 3_565 ?
N8 Co6 O6 154.7(2) 3_565 3_565 ?
O5 Co6 O6 60.6(2) 3_565 3_565 ?
O35W Co6 C52 82.8(2) . 3_565 ?
O13 Co6 C52 144.4(2) . 3_565 ?
O36W Co6 C52 92.7(2) . 3_565 ?
N8 Co6 C52 123.8(3) 3_565 3_565 ?
O5 Co6 C52 29.8(2) 3_565 3_565 ?
O6 Co6 C52 30.9(2) 3_565 3_565 ?
Co6 O35W H35W 109.5 . . ?
Co6 O36W H36W 109.5 . . ?
Co5 O33W H33W 109.5 . . ?
C27 O24 Co5 127.8(4) . . ?
Co5 O34W H34W 109.5 . . ?
C28 O20 Co3 127.8(5) . . ?
C28 O19 Co4 126.8(4) . . ?
Co1 O25W H25W 109.5 . . ?
Co1 O26W H26W 109.5 . . ?
C37 O7 Co1 120.6(5) . . ?
C65 O18 Co3 127.1(4) . . ?
C65 O17 Co4 125.6(5) . . ?
C36 O11 Co5 98.6(4) . 2_545 ?
Co3 O30W H30W 109.5 . . ?
Co3 O31W Co4 84.4(2) . . ?
Co4 O29W Co3 82.98(19) . . ?
C2 O13 Co6 132.6(5) . . ?
Co4 O32W H32W 109.5 . . ?
C44 O1 Co1 98.2(4) . . ?
Co2 O28W H28W 109.5 . . ?
C44 O2 Co1 87.2(4) . . ?
C52 O6 Co6 85.9(4) . 3_565 ?
C52 O5 Co6 90.5(4) . 3_565 ?
C51 O4 Co2 107.9(5) . 1_565 ?
C3 N4 C1 116.3(6) . . ?
C7 N1 C9 118.7(6) . . ?
C7 N1 Co1 116.9(5) . . ?
C9 N1 Co1 121.7(5) . . ?
C4 N5 C3 110.6(6) . . ?
C1 N6 C4 115.4(6) . . ?
C17 N2 C18 118.6(7) . . ?
C17 N2 Co3 122.4(5) . . ?
C18 N2 Co3 119.0(6) . . ?
C13 N3 C12 120.1(7) . . ?
C13 N3 Co5 115.8(5) . 2 ?
C12 N3 Co5 124.2(5) . 2 ?
C38 N8 C42 115.9(6) . . ?
C38 N8 Co6 128.7(5) . 3_565 ?
C42 N8 Co6 115.0(5) . 3_565 ?
C43 N12 C64 113.9(6) . . ?
C58 N11 C43 116.5(6) . . ?
C53 N7 C57 117.7(6) . . ?
C53 N7 Co2 119.9(4) . . ?
C57 N7 Co2 122.1(5) . . ?
C64 N10 C58 115.2(6) . . ?
C59 N9 C62 118.9(7) . . ?
C59 N9 Co4 121.6(5) . 4_665 ?
C62 N9 Co4 119.4(5) . 4_665 ?
C35 O9 Co2 106.0(4) . . ?
N6 C1 N4 123.8(6) . . ?
N6 C1 C10 117.0(6) . . ?
N4 C1 C10 119.1(6) . . ?
O13 C2 O14A 126.4(6) . . ?
O13 C2 C70 118.2(7) . . ?
O14A C2 C70 115.1(6) . . ?
N4 C3 N5 128.1(7) . . ?
N4 C3 C15 119.0(6) . . ?
N5 C3 C15 112.9(6) . . ?
N5 C4 N6 125.7(7) . . ?
N5 C4 C5 117.7(7) . . ?
N6 C4 C5 116.5(6) . . ?
C8 C5 C6 119.0(6) . . ?
C8 C5 C4 121.8(7) . . ?
C6 C5 C4 119.3(6) . . ?
C7 C6 C5 116.6(7) . . ?
C7 C6 H6 121.7 . . ?
C5 C6 H6 121.7 . . ?
N1 C7 C6 125.4(7) . . ?
N1 C7 H7 117.3 . . ?
C6 C7 H7 117.3 . . ?
C5 C8 C9 119.8(7) . . ?
C5 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
N1 C9 C8 120.0(6) . . ?
N1 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C14 C10 C11 113.1(7) . . ?
C14 C10 C1 121.3(6) . . ?
C11 C10 C1 125.6(7) . . ?
C12 C11 C10 122.9(7) . . ?
C12 C11 H11 118.5 . . ?
C10 C11 H11 118.5 . . ?
C11 C12 N3 121.4(7) . . ?
C11 C12 H12 119.3 . . ?
N3 C12 H12 119.3 . . ?
N3 C13 C14 122.0(7) . . ?
N3 C13 H13 119.0 . . ?
C14 C13 H13 119.0 . . ?
C13 C14 C10 120.4(7) . . ?
C13 C14 H14 119.8 . . ?
C10 C14 H14 119.8 . . ?
C19 C15 C16 119.2(7) . . ?
C19 C15 C3 120.3(6) . . ?
C16 C15 C3 120.5(7) . . ?
C17 C16 C15 116.3(8) . . ?
C17 C16 H16 121.8 . . ?
C15 C16 H16 121.8 . . ?
N2 C17 C16 125.0(7) . . ?
N2 C17 H17 117.5 . . ?
C16 C17 H17 117.5 . . ?
N2 C18 C19 121.2(8) . . ?
N2 C18 H18 119.4 . . ?
C19 C18 H18 119.4 . . ?
C18 C19 C15 119.4(7) . . ?
C18 C19 H19 120.3 . . ?
C15 C19 H19 120.3 . . ?
C25 C20 C21 120.1(7) . . ?
C25 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C22 C21 C20 119.7(6) . . ?
C22 C21 C28 120.2(6) . . ?
C20 C21 C28 120.0(6) . . ?
C21 C22 C23 122.9(6) . . ?
C21 C22 H22 118.6 . . ?
C23 C22 H22 118.6 . . ?
C22 C23 C24 117.0(6) . . ?
C22 C23 C26 123.3(6) . . ?
C24 C23 C26 119.6(6) . . ?
C25 C24 C23 122.0(6) . . ?
C25 C24 H24 119.0 . . ?
C23 C24 H24 119.0 . . ?
C24 C25 C20 118.1(6) . . ?
C24 C25 C27 120.1(7) . . ?
C20 C25 C27 121.6(7) . . ?
O22 C26 O21 126.5(8) . . ?
O22 C26 C23 119.5(6) . . ?
O21 C26 C23 113.9(7) . . ?
O23 C27 O24 124.4(6) . . ?
O23 C27 C25 118.7(6) . . ?
O24 C27 C25 116.9(6) . . ?
O19 C28 O20 125.5(6) . . ?
O19 C28 C21 117.8(5) . . ?
O20 C28 C21 116.5(6) . . ?
C30 C29 C34 119.2(6) . . ?
C30 C29 H29 120.4 . . ?
C34 C29 H29 120.4 . . ?
C29 C30 C31 121.7(6) . . ?
C29 C30 C36 118.8(5) . . ?
C31 C30 C36 119.4(6) . . ?
C32 C31 C30 118.1(7) . . ?
C32 C31 H31 120.9 . . ?
C30 C31 H31 120.9 . . ?
C31 C32 C33 120.2(7) . . ?
C31 C32 C35 119.3(7) . . ?
C33 C32 C35 120.5(6) . . ?
C34 C33 C32 122.0(7) . . ?
C34 C33 H33 119.0 . . ?
C32 C33 H33 119.0 . . ?
C33 C34 C29 118.1(7) . . ?
C33 C34 C37 121.9(6) . . ?
C29 C34 C37 119.5(6) . . ?
O10 C35 O9 120.8(6) . . ?
O10 C35 C32 120.8(6) . . ?
O9 C35 C32 118.1(6) . . ?
O11 C36 O12 121.5(6) . . ?
O11 C36 C30 117.9(6) . . ?
O12 C36 C30 120.6(6) . . ?
O7 C37 O8 126.6(7) . . ?
O7 C37 C34 119.9(6) . . ?
O8 C37 C34 113.4(6) . . ?
N8 C38 C39 122.1(7) . . ?
N8 C38 H38 119.0 . . ?
C39 C38 H38 119.0 . . ?
C40 C39 C38 119.5(7) . . ?
C40 C39 H39 120.3 . . ?
C38 C39 H39 120.3 . . ?
C39 C40 C41 120.9(7) . . ?
C39 C40 C43 122.1(7) . . ?
C41 C40 C43 116.9(6) . . ?
C40 C41 C42 115.9(7) . . ?
C40 C41 H41 122.0 . . ?
C42 C41 H41 122.0 . . ?
N8 C42 C41 124.8(7) . . ?
N8 C42 H42 117.6 . . ?
C41 C42 H42 117.6 . . ?
N12 C43 N11 124.3(7) . . ?
N12 C43 C40 119.1(6) . . ?
N11 C43 C40 116.6(6) . . ?
O2 C44 O1 116.8(6) . . ?
O2 C44 C50 119.4(6) . . ?
O1 C44 C50 123.8(6) . . ?
C46 C45 C50 121.3(7) . . ?
C46 C45 H45 119.4 . . ?
C50 C45 H45 119.4 . . ?
C45 C46 C47 119.7(6) . . ?
C45 C46 C52 116.5(8) . . ?
C47 C46 C52 123.8(7) . . ?
C48 C47 C46 120.6(7) . . ?
C48 C47 H47 119.7 . . ?
C46 C47 H47 119.7 . . ?
C47 C48 C49 119.3(6) . . ?
C47 C48 C51 120.6(6) . . ?
C49 C48 C51 119.9(6) . . ?
C50 C49 C48 121.3(6) . . ?
C50 C49 H49 119.4 . . ?
C48 C49 H49 119.4 . . ?
C49 C50 C45 117.7(6) . . ?
C49 C50 C44 118.6(6) . . ?
C45 C50 C44 123.3(6) . . ?
O3 C51 O4 119.6(7) . . ?
O3 C51 C48 121.1(6) . . ?
O4 C51 C48 119.1(6) . . ?
O5 C52 O6 122.4(6) . . ?
O5 C52 C46 122.2(7) . . ?
O6 C52 C46 114.9(7) . . ?
O5 C52 Co6 59.6(3) . 3_565 ?
O6 C52 Co6 63.2(3) . 3_565 ?
C46 C52 Co6 166.2(5) . 3_565 ?
N7 C53 C54 123.7(6) . . ?
N7 C53 H53 118.1 . . ?
C54 C53 H53 118.1 . . ?
C53 C54 C55 117.5(8) . . ?
C53 C54 H54 121.3 . . ?
C55 C54 H54 121.3 . . ?
C56 C55 C54 119.8(7) . . ?
C56 C55 C58 124.4(6) . . ?
C54 C55 C58 115.7(7) . . ?
C57 C56 C55 119.8(7) . . ?
C57 C56 H56 120.1 . . ?
C55 C56 H56 120.1 . . ?
C56 C57 N7 121.5(7) . . ?
C56 C57 H57 119.3 . . ?
N7 C57 H57 119.3 . . ?
N11 C58 N10 123.4(6) . . ?
N11 C58 C55 117.7(6) . . ?
N10 C58 C55 118.4(6) . . ?
N9 C59 C60 121.5(7) . . ?
N9 C59 H59 119.2 . . ?
C60 C59 H59 119.2 . . ?
C63 C60 C59 121.0(8) . . ?
C63 C60 H60 119.5 . . ?
C59 C60 H60 119.5 . . ?
C62 C61 C63 118.1(7) . . ?
C62 C61 H61 120.9 . . ?
C63 C61 H61 120.9 . . ?
N9 C62 C61 121.9(7) . . ?
N9 C62 H62 119.0 . . ?
C61 C62 H62 119.0 . . ?
C60 C63 C61 118.4(7) . . ?
C60 C63 C64 121.8(7) . . ?
C61 C63 C64 119.8(6) . . ?
N10 C64 N12 126.0(7) . . ?
N10 C64 C63 117.3(7) . . ?
N12 C64 C63 116.1(7) . . ?
O18 C65 O17 126.5(7) . . ?
O18 C65 C66 118.2(6) . . ?
O17 C65 C66 115.3(6) . . ?
C71 C66 C67 120.0(7) . . ?
C71 C66 C65 119.4(6) . . ?
C67 C66 C65 120.6(6) . . ?
C68 C67 C66 120.4(6) . . ?
C68 C67 H67 119.8 . . ?
C66 C67 H67 119.8 . . ?
C67 C68 C69 119.7(7) . . ?
C67 C68 C72 118.8(6) . . ?
C69 C68 C72 121.4(7) . . ?
C70 C69 C68 118.9(7) . . ?
C70 C69 H69 120.5 . . ?
C68 C69 H69 120.5 . . ?
C71 C70 C69 121.1(6) . . ?
C71 C70 C2 118.9(6) . . ?
C69 C70 C2 119.9(6) . . ?
C66 C71 C70 119.4(6) . . ?
C66 C71 H71 120.3 . . ?
C70 C71 H71 120.3 . . ?
O15 C72 O16 123.9(7) . . ?
O15 C72 C68 118.0(6) . . ?
O16 C72 C68 118.0(7) . . ?
Co2 O27 H27 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 N6 C1 N4 2.6(11) . . . . ?
C4 N6 C1 C10 -174.6(7) . . . . ?
C3 N4 C1 N6 0.3(11) . . . . ?
C3 N4 C1 C10 177.4(7) . . . . ?
Co6 O13 C2 O14A -13.4(12) . . . . ?
Co6 O13 C2 C70 159.1(5) . . . . ?
C1 N4 C3 N5 -2.8(12) . . . . ?
C1 N4 C3 C15 179.8(7) . . . . ?
C4 N5 C3 N4 1.9(12) . . . . ?
C4 N5 C3 C15 179.4(6) . . . . ?
C3 N5 C4 N6 1.5(10) . . . . ?
C3 N5 C4 C5 -179.3(6) . . . . ?
C1 N6 C4 N5 -3.6(11) . . . . ?
C1 N6 C4 C5 177.3(6) . . . . ?
N5 C4 C5 C8 13.5(10) . . . . ?
N6 C4 C5 C8 -167.3(7) . . . . ?
N5 C4 C5 C6 -165.2(7) . . . . ?
N6 C4 C5 C6 14.0(10) . . . . ?
C8 C5 C6 C7 6.6(11) . . . . ?
C4 C5 C6 C7 -174.6(7) . . . . ?
C9 N1 C7 C6 -0.7(12) . . . . ?
Co1 N1 C7 C6 160.8(7) . . . . ?
C5 C6 C7 N1 -2.1(12) . . . . ?
C6 C5 C8 C9 -8.2(11) . . . . ?
C4 C5 C8 C9 173.0(7) . . . . ?
C7 N1 C9 C8 -0.8(11) . . . . ?
Co1 N1 C9 C8 -161.4(6) . . . . ?
C5 C8 C9 N1 5.4(12) . . . . ?
N6 C1 C10 C14 -3.7(11) . . . . ?
N4 C1 C10 C14 179.0(7) . . . . ?
N6 C1 C10 C11 176.2(7) . . . . ?
N4 C1 C10 C11 -1.2(12) . . . . ?
C14 C10 C11 C12 2.5(11) . . . . ?
C1 C10 C11 C12 -177.3(8) . . . . ?
C10 C11 C12 N3 -2.2(12) . . . . ?
C13 N3 C12 C11 0.5(12) . . . . ?
Co5 N3 C12 C11 179.2(6) 2 . . . ?
C12 N3 C13 C14 0.8(12) . . . . ?
Co5 N3 C13 C14 -178.0(6) 2 . . . ?
N3 C13 C14 C10 -0.3(12) . . . . ?
C11 C10 C14 C13 -1.3(10) . . . . ?
C1 C10 C14 C13 178.6(7) . . . . ?
N4 C3 C15 C19 -175.8(8) . . . . ?
N5 C3 C15 C19 6.3(11) . . . . ?
N4 C3 C15 C16 4.0(12) . . . . ?
N5 C3 C15 C16 -173.8(8) . . . . ?
C19 C15 C16 C17 -0.4(12) . . . . ?
C3 C15 C16 C17 179.7(8) . . . . ?
C18 N2 C17 C16 5.9(13) . . . . ?
Co3 N2 C17 C16 -172.9(7) . . . . ?
C15 C16 C17 N2 -3.7(13) . . . . ?
C17 N2 C18 C19 -3.9(13) . . . . ?
Co3 N2 C18 C19 174.9(7) . . . . ?
N2 C18 C19 C15 0.1(14) . . . . ?
C16 C15 C19 C18 2.1(13) . . . . ?
C3 C15 C19 C18 -178.1(8) . . . . ?
C25 C20 C21 C22 -2.5(10) . . . . ?
C25 C20 C21 C28 174.5(6) . . . . ?
C20 C21 C22 C23 0.9(12) . . . . ?
C28 C21 C22 C23 -176.2(7) . . . . ?
C21 C22 C23 C24 -0.7(12) . . . . ?
C21 C22 C23 C26 -177.8(8) . . . . ?
C22 C23 C24 C25 2.3(12) . . . . ?
C26 C23 C24 C25 179.5(7) . . . . ?
C23 C24 C25 C20 -3.9(11) . . . . ?
C23 C24 C25 C27 -179.4(7) . . . . ?
C21 C20 C25 C24 4.0(10) . . . . ?
C21 C20 C25 C27 179.5(6) . . . . ?
C22 C23 C26 O22 -168.8(8) . . . . ?
C24 C23 C26 O22 14.2(12) . . . . ?
C22 C23 C26 O21 8.3(12) . . . . ?
C24 C23 C26 O21 -168.7(7) . . . . ?
Co5 O24 C27 O23 18.4(11) . . . . ?
Co5 O24 C27 C25 -161.7(5) . . . . ?
C24 C25 C27 O23 -5.5(10) . . . . ?
C20 C25 C27 O23 179.1(6) . . . . ?
C24 C25 C27 O24 174.6(7) . . . . ?
C20 C25 C27 O24 -0.8(10) . . . . ?
Co4 O19 C28 O20 2.8(10) . . . . ?
Co4 O19 C28 C21 179.2(4) . . . . ?
Co3 O20 C28 O19 -4.1(10) . . . . ?
Co3 O20 C28 C21 179.4(4) . . . . ?
C22 C21 C28 O19 173.1(7) . . . . ?
C20 C21 C28 O19 -4.0(10) . . . . ?
C22 C21 C28 O20 -10.1(10) . . . . ?
C20 C21 C28 O20 172.8(6) . . . . ?
C34 C29 C30 C31 -4.5(11) . . . . ?
C34 C29 C30 C36 173.5(6) . . . . ?
C29 C30 C31 C32 1.2(11) . . . . ?
C36 C30 C31 C32 -176.8(6) . . . . ?
C30 C31 C32 C33 -1.9(11) . . . . ?
C30 C31 C32 C35 178.1(6) . . . . ?
C31 C32 C33 C34 6.3(13) . . . . ?
C35 C32 C33 C34 -173.7(7) . . . . ?
C32 C33 C34 C29 -9.5(12) . . . . ?
C32 C33 C34 C37 179.2(8) . . . . ?
C30 C29 C34 C33 8.5(11) . . . . ?
C30 C29 C34 C37 180.0(7) . . . . ?
Co2 O9 C35 O10 -5.6(8) . . . . ?
Co2 O9 C35 C32 179.8(5) . . . . ?
C31 C32 C35 O10 -14.8(10) . . . . ?
C33 C32 C35 O10 165.2(8) . . . . ?
C31 C32 C35 O9 159.9(6) . . . . ?
C33 C32 C35 O9 -20.1(10) . . . . ?
Co5 O11 C36 O12 -11.4(7) 2_545 . . . ?
Co5 O11 C36 C30 165.5(5) 2_545 . . . ?
C29 C30 C36 O11 -178.0(6) . . . . ?
C31 C30 C36 O11 0.1(10) . . . . ?
C29 C30 C36 O12 -1.0(10) . . . . ?
C31 C30 C36 O12 177.1(6) . . . . ?
Co1 O7 C37 O8 10.8(12) . . . . ?
Co1 O7 C37 C34 -174.0(5) . . . . ?
C33 C34 C37 O7 -176.9(8) . . . . ?
C29 C34 C37 O7 12.0(11) . . . . ?
C33 C34 C37 O8 -1.0(11) . . . . ?
C29 C34 C37 O8 -172.2(7) . . . . ?
C42 N8 C38 C39 3.3(12) . . . . ?
Co6 N8 C38 C39 175.6(6) 3_565 . . . ?
N8 C38 C39 C40 -6.2(13) . . . . ?
C38 C39 C40 C41 10.0(13) . . . . ?
C38 C39 C40 C43 -175.2(8) . . . . ?
C39 C40 C41 C42 -10.6(11) . . . . ?
C43 C40 C41 C42 174.3(7) . . . . ?
C38 N8 C42 C41 -4.5(11) . . . . ?
Co6 N8 C42 C41 -177.8(6) 3_565 . . . ?
C40 C41 C42 N8 8.0(11) . . . . ?
C64 N12 C43 N11 0.0(11) . . . . ?
C64 N12 C43 C40 178.9(7) . . . . ?
C58 N11 C43 N12 4.7(11) . . . . ?
C58 N11 C43 C40 -174.2(7) . . . . ?
C39 C40 C43 N12 1.8(12) . . . . ?
C41 C40 C43 N12 176.8(7) . . . . ?
C39 C40 C43 N11 -179.2(8) . . . . ?
C41 C40 C43 N11 -4.2(10) . . . . ?
Co1 O2 C44 O1 -9.0(7) . . . . ?
Co1 O2 C44 C50 172.7(6) . . . . ?
Co1 O1 C44 O2 10.0(7) . . . . ?
Co1 O1 C44 C50 -171.7(6) . . . . ?
C50 C45 C46 C47 1.1(10) . . . . ?
C50 C45 C46 C52 -179.0(6) . . . . ?
C45 C46 C47 C48 2.3(11) . . . . ?
C52 C46 C47 C48 -177.5(7) . . . . ?
C46 C47 C48 C49 -2.6(11) . . . . ?
C46 C47 C48 C51 -178.1(7) . . . . ?
C47 C48 C49 C50 -0.6(11) . . . . ?
C51 C48 C49 C50 174.9(7) . . . . ?
C48 C49 C50 C45 3.8(11) . . . . ?
C48 C49 C50 C44 177.8(7) . . . . ?
C46 C45 C50 C49 -4.2(10) . . . . ?
C46 C45 C50 C44 -177.8(7) . . . . ?
O2 C44 C50 C49 173.2(7) . . . . ?
O1 C44 C50 C49 -5.0(11) . . . . ?
O2 C44 C50 C45 -13.2(11) . . . . ?
O1 C44 C50 C45 168.6(7) . . . . ?
Co2 O4 C51 O3 -3.1(9) 1_565 . . . ?
Co2 O4 C51 C48 172.6(6) 1_565 . . . ?
C47 C48 C51 O3 172.2(7) . . . . ?
C49 C48 C51 O3 -3.2(11) . . . . ?
C47 C48 C51 O4 -3.4(11) . . . . ?
C49 C48 C51 O4 -178.9(7) . . . . ?
Co6 O5 C52 O6 -7.9(8) 3_565 . . . ?
Co6 O5 C52 C46 163.9(6) 3_565 . . . ?
Co6 O6 C52 O5 7.6(7) 3_565 . . . ?
Co6 O6 C52 C46 -164.8(6) 3_565 . . . ?
C45 C46 C52 O5 2.6(10) . . . . ?
C47 C46 C52 O5 -177.5(7) . . . . ?
C45 C46 C52 O6 175.0(6) . . . . ?
C47 C46 C52 O6 -5.1(10) . . . . ?
C45 C46 C52 Co6 96(3) . . . 3_565 ?
C47 C46 C52 Co6 -84(3) . . . 3_565 ?
C57 N7 C53 C54 1.9(11) . . . . ?
Co2 N7 C53 C54 176.0(6) . . . . ?
N7 C53 C54 C55 -1.3(12) . . . . ?
C53 C54 C55 C56 1.0(12) . . . . ?
C53 C54 C55 C58 -178.6(7) . . . . ?
C54 C55 C56 C57 -1.3(12) . . . . ?
C58 C55 C56 C57 178.2(8) . . . . ?
C55 C56 C57 N7 2.0(12) . . . . ?
C53 N7 C57 C56 -2.2(11) . . . . ?
Co2 N7 C57 C56 -176.1(6) . . . . ?
C43 N11 C58 N10 -2.3(11) . . . . ?
C43 N11 C58 C55 169.4(7) . . . . ?
C64 N10 C58 N11 -4.5(11) . . . . ?
C64 N10 C58 C55 -176.1(7) . . . . ?
C56 C55 C58 N11 178.3(7) . . . . ?
C54 C55 C58 N11 -2.2(11) . . . . ?
C56 C55 C58 N10 -9.6(12) . . . . ?
C54 C55 C58 N10 170.0(7) . . . . ?
C62 N9 C59 C60 0.2(13) . . . . ?
Co4 N9 C59 C60 179.9(7) 4_665 . . . ?
N9 C59 C60 C63 1.7(14) . . . . ?
C59 N9 C62 C61 0.2(12) . . . . ?
Co4 N9 C62 C61 -179.5(6) 4_665 . . . ?
C63 C61 C62 N9 -2.3(12) . . . . ?
C59 C60 C63 C61 -3.8(13) . . . . ?
C59 C60 C63 C64 175.3(8) . . . . ?
C62 C61 C63 C60 4.1(11) . . . . ?
C62 C61 C63 C64 -175.1(7) . . . . ?
C58 N10 C64 N12 10.1(12) . . . . ?
C58 N10 C64 C63 -179.8(7) . . . . ?
C43 N12 C64 N10 -7.9(12) . . . . ?
C43 N12 C64 C63 -178.1(7) . . . . ?
C60 C63 C64 N10 -171.9(8) . . . . ?
C61 C63 C64 N10 7.2(11) . . . . ?
C60 C63 C64 N12 -0.9(11) . . . . ?
C61 C63 C64 N12 178.3(7) . . . . ?
Co3 O18 C65 O17 -17.4(11) . . . . ?
Co3 O18 C65 C66 163.7(5) . . . . ?
Co4 O17 C65 O18 12.3(11) . . . . ?
Co4 O17 C65 C66 -168.8(4) . . . . ?
O18 C65 C66 C71 6.0(10) . . . . ?
O17 C65 C66 C71 -173.0(6) . . . . ?
O18 C65 C66 C67 -172.6(7) . . . . ?
O17 C65 C66 C67 8.4(10) . . . . ?
C71 C66 C67 C68 -6.2(11) . . . . ?
C65 C66 C67 C68 172.4(7) . . . . ?
C66 C67 C68 C69 4.3(12) . . . . ?
C66 C67 C68 C72 -173.4(7) . . . . ?
C67 C68 C69 C70 2.0(12) . . . . ?
C72 C68 C69 C70 179.6(7) . . . . ?
C68 C69 C70 C71 -6.5(12) . . . . ?
C68 C69 C70 C2 178.8(7) . . . . ?
O13 C2 C70 C71 -1.5(11) . . . . ?
O14A C2 C70 C71 171.8(7) . . . . ?
O13 C2 C70 C69 173.3(7) . . . . ?
O14A C2 C70 C69 -13.4(10) . . . . ?
C67 C66 C71 C70 1.7(11) . . . . ?
C65 C66 C71 C70 -176.9(7) . . . . ?
C69 C70 C71 C66 4.7(12) . . . . ?
C2 C70 C71 C66 179.4(7) . . . . ?
C67 C68 C72 O15 174.1(8) . . . . ?
C69 C68 C72 O15 -3.5(12) . . . . ?
C67 C68 C72 O16 -9.5(11) . . . . ?
C69 C68 C72 O16 172.9(7) . . . . ?

_refine_diff_density_max         3.452
_refine_diff_density_min         -2.518
_refine_diff_density_rms         0.308



