# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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. 
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data_88
_database_code_depnum_ccdc_archive 'CCDC 2120479'
loop_
_audit_author_name
_audit_author_address
Aqq
;Qww
China
;
_audit_update_record             
;
2021-11-06 deposited with the CCDC.	2023-02-23 downloaded from the CCDC.
;
_audit_creation_date             2021-11-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C58 H44 Co6 N10 O25, H2 O'
_chemical_formula_sum            'C58 H46 Co6 N10 O26'
_chemical_formula_weight         1648.59
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   11.6006(12)
_cell_length_b                   29.178(3)
_cell_length_c                   37.483(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     12687(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9750
_cell_measurement_temperature    291.14
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.50
_shelx_estimated_absorpt_T_max   0.792
_shelx_estimated_absorpt_T_min   0.600
_exptl_absorpt_coefficient_mu    1.626
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5001
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6640
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0295
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            57460
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.063
_diffrn_reflns_theta_max         25.063
_diffrn_reflns_theta_min         2.308
_diffrn_ambient_temperature      291.14
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9319
_reflns_number_total             11193
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.294
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     909
_refine_ls_number_reflns         11193
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0429
_refine_ls_restrained_S_all      1.134
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0437P)²+46.2712P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1015
_refine_ls_wR_factor_ref         0.1087
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C13) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C5) \\sim
Ueq, Uanis(C4) \\sim Ueq, Uanis(C12) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(O9)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O26) \\sim Ueq, Uanis(O3) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.01
3.a Free rotating group:
 O26(H,HA)
3.b Rotating group:
 O12(H12A,H12B), O25(H25A,H25B), N1(H1A,H1B), N10(H10A,H10B)
3.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C50(H50), C39(H39), C49(H49), C36(H36), C41(H41), C47(H47),
 C46(H46), C38(H38), C35(H35), C55(H55), C32(H32), C42(H42), C19(H19), C33(H33),
  C10(H10), C22(H22), C53(H53), C9(H9), C56(H56), C25(H25), C52(H52), C21(H21),
 C3(H3), C27(H27), C12(H12), C28(H28), C24(H24), C13(H13), C7(H7), C4(H4),
 C6(H6)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co5 Co 0.500000 0.29605(2) 0.750000 0.01334(16) Uani 1 2 d S T P . .
Co2 Co 0.25857(4) 0.30222(2) 0.79297(2) 0.01264(12) Uani 1 1 d . . . . .
Co3 Co 0.000000 0.30115(2) 0.750000 0.01312(16) Uani 1 2 d S T P . .
Co4 Co 0.21253(4) 0.25923(2) 0.70438(2) 0.01611(12) Uani 1 1 d . . . . .
Co6 Co 0.38499(4) 0.28275(2) 0.58698(2) 0.01559(12) Uani 1 1 d . . . . .
Co1 Co 0.34369(4) 0.28479(2) 0.95563(2) 0.01555(12) Uani 1 1 d . . . . .
Co7 Co 0.41422(4) 0.24931(2) 0.49559(2) 0.01622(12) Uani 1 1 d . . . . .
O15 O 0.1784(2) 0.30418(8) 0.74435(6) 0.0134(5) Uani 1 1 d . . . . .
O17 O 0.6020(2) 0.34549(8) 0.72617(7) 0.0163(6) Uani 1 1 d . . . . .
O16 O 0.6114(2) 0.29800(9) 0.79746(7) 0.0181(6) Uani 1 1 d . . . . .
O14 O 0.3822(2) 0.25246(8) 0.77355(7) 0.0165(6) Uani 1 1 d . . . . .
O6 O 0.4882(2) 0.25680(9) 0.54587(6) 0.0161(6) Uani 1 1 d . . . . .
O24 O 0.5059(2) -0.14876(10) 0.78967(8) 0.0265(7) Uani 1 1 d . . . . .
O23 O 0.3255(2) -0.13760(9) 0.80822(7) 0.0229(6) Uani 1 1 d . . . . .
O20 O 0.4759(2) 0.74665(9) 0.71361(7) 0.0197(6) Uani 1 1 d . . . . .
O21 O 0.6509(2) 0.74976(9) 0.68970(8) 0.0253(7) Uani 1 1 d . . . . .
O2 O 0.1684(2) 0.69454(9) 0.46055(7) 0.0232(6) Uani 1 1 d . . . . .
O12 O 0.1574(3) 0.30932(10) 0.66556(7) 0.0277(7) Uani 1 1 d . . . . .
H12A H 0.115462 0.330174 0.676008 0.042 Uiso 1 1 d R U . . .
H12B H 0.217290 0.324312 0.657607 0.042 Uiso 1 1 d R U . . .
O7 O 0.3402(3) 0.24350(10) 0.62807(7) 0.0293(7) Uani 1 1 d . . . . .
O18 O 0.6794(3) 0.38487(9) 0.77108(8) 0.0275(7) Uani 1 1 d . . . . .
N4 N 0.4464(3) 0.29630(11) 0.85063(8) 0.0189(7) Uani 1 1 d . . . . .
N3 N 0.4603(3) 0.29541(11) 0.88490(8) 0.0187(7) Uani 1 1 d . . . . .
O13 O 0.2704(2) 0.20895(9) 0.73856(8) 0.0238(6) Uani 1 1 d . . . . .
O1 O 0.0412(3) 0.67669(10) 0.50076(8) 0.0308(7) Uani 1 1 d . . . . .
N5 N 0.3335(3) 0.30114(11) 0.84333(8) 0.0176(7) Uani 1 1 d . . . . .
O8 O 0.2170(3) 0.21214(9) 0.66567(8) 0.0276(7) Uani 1 1 d . . . . .
O10 O 0.1064(3) -0.15250(10) 0.56504(9) 0.0351(8) Uani 1 1 d . . . . .
N2 N 0.3577(3) 0.29997(11) 0.90144(8) 0.0183(7) Uani 1 1 d . . . . .
O5 O 0.3581(3) 0.30883(10) 0.47284(9) 0.0316(7) Uani 1 1 d . . . . .
O4 O 0.2123(3) 0.28027(9) 0.44092(8) 0.0302(7) Uani 1 1 d . . . . .
N8 N 0.7587(3) 0.25251(11) 0.47561(8) 0.0181(7) Uani 1 1 d . . . . .
O22 O 0.5372(3) 0.06052(9) 0.83122(9) 0.0398(9) Uani 1 1 d . . . . .
O25 O 0.4116(3) 0.34775(11) 0.97184(10) 0.0419(9) Uani 1 1 d . . . . .
H25A H 0.418302 0.347950 0.994979 0.063 Uiso 1 1 d R U . . .
H25B H 0.482035 0.350271 0.964068 0.063 Uiso 1 1 d R U . . .
N7 N 0.6633(3) 0.26366(12) 0.49083(8) 0.0197(7) Uani 1 1 d . . . . .
N9 N 0.7381(3) 0.23652(11) 0.44270(8) 0.0189(7) Uani 1 1 d . . . . .
N6 N 0.5745(3) 0.25529(12) 0.46875(9) 0.0213(7) Uani 1 1 d . . . . .
O11 O 0.2089(3) -0.15051(14) 0.61311(10) 0.0545(10) Uani 1 1 d . . . . .
C58 C 0.2816(3) 0.30340(14) 0.87513(10) 0.0208(9) Uani 1 1 d . . . . .
O19 O 0.5510(4) 0.54158(10) 0.65882(9) 0.0536(11) Uani 1 1 d . . . . .
N1 N 0.1656(3) 0.30821(17) 0.87979(10) 0.0420(11) Uani 1 1 d . . . . .
H1A H 0.131654 0.282089 0.874513 0.050 Uiso 1 1 d R U . . .
H1B H 0.151204 0.315253 0.902240 0.050 Uiso 1 1 d R U . . .
C43 C 0.6340(3) 0.38350(13) 0.74125(10) 0.0172(8) Uani 1 1 d . . . . .
C14 C 0.2725(3) 0.21171(13) 0.63728(10) 0.0186(8) Uani 1 1 d . . . . .
C44 C 0.3426(3) 0.21327(13) 0.76285(10) 0.0167(8) Uani 1 1 d . . . . .
C57 C 0.4256(3) -0.12403(13) 0.80228(10) 0.0173(8) Uani 1 1 d . . . . .
C40 C 0.6117(3) 0.42599(13) 0.72029(11) 0.0190(8) Uani 1 1 d . . . . .
N10 N 0.5650(3) 0.22759(17) 0.40914(10) 0.0453(12) Uani 1 1 d . . . . .
H10A H 0.570985 0.197793 0.405995 0.054 Uiso 1 1 d R U . . .
H10B H 0.491899 0.234974 0.411634 0.054 Uiso 1 1 d R U . . .
C11 C 0.2613(4) 0.17008(14) 0.61402(11) 0.0265(10) Uani 1 1 d . . . . .
C45 C 0.3878(3) 0.17221(13) 0.78137(10) 0.0180(8) Uani 1 1 d . . . . .
C18 C 0.1463(4) 0.36616(15) 0.41798(12) 0.0322(11) Uani 1 1 d . . . . .
H18 H 0.123960 0.341091 0.404293 0.039 Uiso 1 1 calc R U . . .
C31 C 0.5560(3) 0.67900(13) 0.68771(11) 0.0193(8) Uani 1 1 d . . . . .
C30 C 0.5608(3) 0.72859(13) 0.69755(10) 0.0162(8) Uani 1 1 d . . . . .
C29 C 0.1062(4) 0.66424(14) 0.47640(11) 0.0213(9) Uani 1 1 d . . . . .
C48 C 0.4808(4) 0.09553(13) 0.81387(12) 0.0266(10) Uani 1 1 d . . . . .
C17 C 0.2254(4) 0.36024(14) 0.44504(12) 0.0279(10) Uani 1 1 d . . . . .
C50 C 0.3589(4) 0.12850(14) 0.76975(12) 0.0260(10) Uani 1 1 d . . . . .
H50 H 0.307838 0.125109 0.750812 0.031 Uiso 1 1 calc R U . . .
C54 C 0.4557(3) -0.07539(13) 0.81051(11) 0.0198(8) Uani 1 1 d . . . . .
C39 C 0.6421(4) 0.46883(14) 0.73390(11) 0.0254(9) Uani 1 1 d . . . . .
H39 H 0.676666 0.470839 0.756238 0.030 Uiso 1 1 calc R U . . .
C49 C 0.4048(4) 0.08982(14) 0.78588(12) 0.0291(10) Uani 1 1 d . . . . .
H49 H 0.384790 0.060658 0.778015 0.035 Uiso 1 1 calc R U . . .
C36 C 0.4799(4) 0.64952(14) 0.70446(11) 0.0248(9) Uani 1 1 d . . . . .
H36 H 0.427578 0.660958 0.721011 0.030 Uiso 1 1 calc R U . . .
C15 C 0.6234(3) 0.23923(14) 0.43908(10) 0.0215(9) Uani 1 1 d . . . . .
C16 C 0.2686(4) 0.31293(14) 0.45358(11) 0.0249(9) Uani 1 1 d . . . . .
C41 C 0.5588(4) 0.42389(14) 0.68716(12) 0.0274(10) Uani 1 1 d . . . . .
H41 H 0.536899 0.395608 0.677953 0.033 Uiso 1 1 calc R U . . .
C47 C 0.5089(4) 0.13884(14) 0.82622(12) 0.0318(11) Uani 1 1 d . . . . .
H47 H 0.558618 0.142189 0.845506 0.038 Uiso 1 1 calc R U . . .
C34 C 0.5561(4) 0.58667(14) 0.67106(12) 0.0327(11) Uani 1 1 d . . . . .
C46 C 0.4631(4) 0.17682(14) 0.80992(12) 0.0280(10) Uani 1 1 d . . . . .
H46 H 0.482616 0.205895 0.818086 0.034 Uiso 1 1 calc R U . . .
C38 C 0.6214(4) 0.50842(14) 0.71449(12) 0.0311(10) Uani 1 1 d . . . . .
H38 H 0.641632 0.536906 0.723691 0.037 Uiso 1 1 calc R U . . .
C1 C 0.1650(4) -0.13025(16) 0.58768(13) 0.0323(10) Uani 1 1 d . . . . .
C35 C 0.4811(5) 0.60306(15) 0.69674(12) 0.0354(11) Uani 1 1 d . . . . .
H35 H 0.431912 0.583126 0.708708 0.042 Uiso 1 1 calc R U . . .
C26 C 0.1066(4) 0.61563(14) 0.46405(12) 0.0304(10) Uani 1 1 d . . . . .
C55 C 0.3758(4) -0.04700(14) 0.82690(12) 0.0268(10) Uani 1 1 d . . . . .
H55 H 0.304335 -0.058730 0.833471 0.032 Uiso 1 1 calc R U . . .
C32 C 0.6320(4) 0.66138(15) 0.66262(14) 0.0356(11) Uani 1 1 d . . . . .
H32 H 0.684416 0.680823 0.651515 0.043 Uiso 1 1 calc R U . . .
C42 C 0.5384(4) 0.46291(14) 0.66775(12) 0.0335(11) Uani 1 1 d . . . . .
H42 H 0.503180 0.461020 0.645512 0.040 Uiso 1 1 calc R U . . .
C19 C 0.0997(5) 0.40863(16) 0.41091(14) 0.0412(13) Uani 1 1 d . . . . .
H19 H 0.047179 0.412169 0.392369 0.049 Uiso 1 1 calc R U . . .
C51 C 0.5061(4) 0.01527(13) 0.82374(12) 0.0288(10) Uani 1 1 d . . . . .
C33 C 0.6309(4) 0.61561(16) 0.65392(14) 0.0380(12) Uani 1 1 d . . . . .
H33 H 0.680670 0.604357 0.636545 0.046 Uiso 1 1 calc R U . . .
O3 O 0.0703(4) 0.48489(15) 0.42294(12) 0.0718(13) Uani 1 1 d . U . . .
C10 C 0.3332(4) 0.16248(15) 0.58554(12) 0.0334(11) Uani 1 1 d . . . . .
H10 H 0.386855 0.184810 0.579442 0.040 Uiso 1 1 calc R U . . .
C22 C 0.2576(5) 0.39819(16) 0.46494(14) 0.0426(13) Uani 1 1 d . . . . .
H22 H 0.312033 0.394844 0.482964 0.051 Uiso 1 1 calc R U . . .
C2 C 0.1802(5) -0.08023(16) 0.58127(13) 0.0387(12) Uani 1 1 d . . . . .
C53 C 0.5621(4) -0.05782(15) 0.80126(14) 0.0368(12) Uani 1 1 d . . . . .
H53 H 0.616734 -0.076624 0.790518 0.044 Uiso 1 1 calc R U . . .
C37 C 0.5703(4) 0.50504(14) 0.68137(12) 0.0289(10) Uani 1 1 d . . . . .
C9 C 0.3282(6) 0.12325(16) 0.56592(13) 0.0490(15) Uani 1 1 d . . . . .
H9 H 0.376209 0.119341 0.546278 0.059 Uiso 1 1 calc R U . . .
C56 C 0.4008(4) -0.00174(15) 0.83358(13) 0.0343(11) Uani 1 1 d . . . . .
H56 H 0.346811 0.017078 0.844644 0.041 Uiso 1 1 calc R U . . .
C20 C 0.1308(5) 0.44568(15) 0.43123(15) 0.0468(14) Uani 1 1 d . . . . .
C25 C 0.1880(5) 0.59868(18) 0.44111(16) 0.0487(14) Uani 1 1 d . . . . .
H25 H 0.248649 0.617280 0.433808 0.058 Uiso 1 1 calc R U . . .
C52 C 0.5877(4) -0.01212(16) 0.80797(15) 0.0415(13) Uani 1 1 d . . . . .
H52 H 0.659400 -0.000211 0.801854 0.050 Uiso 1 1 calc R U . . .
C21 C 0.2099(5) 0.44127(16) 0.45850(15) 0.0505(15) Uani 1 1 d . . . . .
H21 H 0.230944 0.466442 0.472262 0.061 Uiso 1 1 calc R U . . .
C3 C 0.1251(6) -0.06012(17) 0.55297(17) 0.0581(17) Uani 1 1 d . . . . .
H3 H 0.074810 -0.077247 0.538995 0.070 Uiso 1 1 calc R U . . .
O9 O 0.2475(6) 0.05321(15) 0.55259(13) 0.1045(18) Uani 1 1 d . U . . .
C27 C 0.0192(6) 0.58714(18) 0.47531(15) 0.0545(16) Uani 1 1 d . . . . .
H27 H -0.034973 0.597990 0.491539 0.065 Uiso 1 1 calc R U . . .
C23 C 0.0911(7) 0.52698(16) 0.43950(18) 0.0602(19) Uani 1 1 d . . . . .
C12 C 0.1865(6) 0.1361(2) 0.62308(16) 0.0621(17) Uani 1 1 d . U . . .
H12 H 0.136476 0.140314 0.642187 0.075 Uiso 1 1 calc R U . . .
C28 C 0.0108(7) 0.5428(2) 0.46291(17) 0.068(2) Uani 1 1 d . . . . .
H28 H -0.049071 0.523953 0.470446 0.081 Uiso 1 1 calc R U . . .
C8 C 0.2540(7) 0.0905(2) 0.57518(16) 0.0667(18) Uani 1 1 d . U . . .
C24 C 0.1806(6) 0.5538(2) 0.42863(19) 0.067(2) Uani 1 1 d . . . . .
H24 H 0.236031 0.542259 0.413103 0.080 Uiso 1 1 calc R U . . .
C13 C 0.1841(7) 0.0953(2) 0.60416(19) 0.081(2) Uani 1 1 d . U . . .
H13 H 0.135481 0.071631 0.611132 0.097 Uiso 1 1 calc R U . . .
C7 C 0.2536(6) -0.0540(2) 0.60185(18) 0.0664(18) Uani 1 1 d . U . . .
H7 H 0.289500 -0.067187 0.621506 0.080 Uiso 1 1 calc R U . . .
C4 C 0.1442(7) -0.0143(2) 0.54509(19) 0.0700(19) Uani 1 1 d . U . . .
H4 H 0.106617 -0.000441 0.526037 0.084 Uiso 1 1 calc R U . . .
C5 C 0.2188(7) 0.0098(2) 0.56571(19) 0.0702(19) Uani 1 1 d . U . . .
C6 C 0.2746(7) -0.0093(3) 0.5940(2) 0.082(2) Uani 1 1 d . U . . .
H6 H 0.325761 0.007847 0.607709 0.099 Uiso 1 1 calc R U . . .
O26 O 0.4633(7) 0.3719(3) 1.0365(2) 0.143(3) Uani 1 1 d G U . . .
H H 0.424355 0.381058 1.055025 0.214 Uiso 1 1 d G U . . .
HA H 0.510002 0.351167 1.044853 0.214 Uiso 1 1 d G 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
Co5 O17 2.068(3) 3_656 ?
Co5 O17 2.068(3) . ?
Co5 O16 2.200(3) 3_656 ?
Co5 O16 2.200(3) . ?
Co5 O14 2.065(3) 3_656 ?
Co5 O14 2.065(3) . ?
Co2 O15 2.047(2) . ?
Co2 O17 2.174(3) 3_656 ?
Co2 O14 2.166(3) . ?
Co2 O23 2.088(3) 8_665 ?
Co2 O21 2.080(3) 6_557 ?
Co2 N5 2.078(3) . ?
Co3 O15 2.082(2) 3_556 ?
Co3 O15 2.082(2) . ?
Co3 O24 2.086(3) 6_567 ?
Co3 O24 2.086(3) 8_665 ?
Co3 O20 2.114(3) 8_655 ?
Co3 O20 2.114(3) 6_557 ?
Co4 O15 2.030(2) . ?
Co4 O16 2.336(3) 3_656 ?
Co4 O20 2.243(3) 8_655 ?
Co4 O12 2.159(3) . ?
Co4 O13 2.060(3) . ?
Co4 O8 1.999(3) . ?
Co6 O6 2.093(2) . ?
Co6 O7 1.988(3) . ?
Co6 N3 2.114(3) 3_656 ?
Co6 O10 2.063(3) 8_665 ?
Co6 N9 2.111(3) 4_456 ?
Co1 O6 2.115(3) 3_656 ?
Co1 O2 2.129(3) 7_566 ?
Co1 N2 2.085(3) . ?
Co1 O4 2.081(3) 2 ?
Co1 O25 2.089(3) . ?
Co1 N7 2.101(3) 3_656 ?
Co7 O6 2.082(3) . ?
Co7 O2 2.280(3) 8_655 ?
Co7 O1 2.190(3) 8_655 ?
Co7 O5 2.041(3) . ?
Co7 N8 2.103(3) 4_456 ?
Co7 N6 2.121(3) . ?
O17 C43 1.299(5) . ?
O14 C44 1.296(5) . ?
O24 C57 1.270(5) . ?
O23 C57 1.247(5) . ?
O20 C30 1.269(5) . ?
O21 C30 1.249(5) . ?
O2 C29 1.287(5) . ?
O12 H12A 0.8722 . ?
O12 H12B 0.8730 . ?
O7 C14 1.264(5) . ?
O18 C43 1.236(5) . ?
N4 N3 1.295(4) . ?
N4 N5 1.345(4) . ?
N3 N2 1.348(4) . ?
O13 C44 1.243(5) . ?
O1 C29 1.238(5) . ?
N5 C58 1.337(5) . ?
O8 C14 1.244(5) . ?
O10 C1 1.267(6) . ?
N2 C58 1.328(5) . ?
O5 C16 1.270(5) . ?
O4 C16 1.249(5) . ?
N8 N7 1.287(4) . ?
N8 N9 1.340(4) . ?
O22 C48 1.377(5) . ?
O22 C51 1.397(5) . ?
O25 H25A 0.8709 . ?
O25 H25B 0.8709 . ?
N7 N6 1.344(4) . ?
N9 C15 1.340(5) . ?
N6 C15 1.334(5) . ?
O11 C1 1.232(6) . ?
C58 N1 1.364(5) . ?
O19 C34 1.394(5) . ?
O19 C37 1.379(5) . ?
N1 H1A 0.8805 . ?
N1 H1B 0.8822 . ?
C43 C40 1.490(5) . ?
C14 C11 1.501(5) . ?
C44 C45 1.481(5) . ?
C57 C54 1.494(5) . ?
C40 C39 1.395(6) . ?
C40 C41 1.387(6) . ?
N10 H10A 0.8802 . ?
N10 H10B 0.8802 . ?
N10 C15 1.354(5) . ?
C11 C10 1.373(6) . ?
C11 C12 1.360(7) . ?
C45 C50 1.389(6) . ?
C45 C46 1.387(6) . ?
C18 H18 0.9300 . ?
C18 C17 1.379(6) . ?
C18 C19 1.378(6) . ?
C31 C30 1.494(5) . ?
C31 C36 1.383(6) . ?
C31 C32 1.388(6) . ?
C29 C26 1.492(6) . ?
C48 C49 1.380(6) . ?
C48 C47 1.385(6) . ?
C17 C16 1.503(6) . ?
C17 C22 1.386(6) . ?
C50 H50 0.9300 . ?
C50 C49 1.386(6) . ?
C54 C55 1.387(6) . ?
C54 C53 1.381(6) . ?
C39 H39 0.9300 . ?
C39 C38 1.386(6) . ?
C49 H49 0.9300 . ?
C36 H36 0.9300 . ?
C36 C35 1.386(6) . ?
C41 H41 0.9300 . ?
C41 C42 1.372(6) . ?
C47 H47 0.9300 . ?
C47 C46 1.372(6) . ?
C34 C35 1.383(7) . ?
C34 C33 1.371(7) . ?
C46 H46 0.9300 . ?
C38 H38 0.9300 . ?
C38 C37 1.379(6) . ?
C1 C2 1.490(7) . ?
C35 H35 0.9300 . ?
C26 C25 1.369(7) . ?
C26 C27 1.377(7) . ?
C55 H55 0.9300 . ?
C55 C56 1.375(6) . ?
C32 H32 0.9300 . ?
C32 C33 1.375(6) . ?
C42 H42 0.9300 . ?
C42 C37 1.382(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.371(7) . ?
C51 C56 1.370(7) . ?
C51 C52 1.373(7) . ?
C33 H33 0.9300 . ?
O3 C20 1.378(6) . ?
O3 C23 1.397(7) . ?
C10 H10 0.9300 . ?
C10 C9 1.362(6) . ?
C22 H22 0.9300 . ?
C22 C21 1.394(7) . ?
C2 C3 1.370(8) . ?
C2 C7 1.382(8) . ?
C53 H53 0.9300 . ?
C53 C52 1.389(6) . ?
C9 H9 0.9300 . ?
C9 C8 1.332(8) . ?
C56 H56 0.9300 . ?
C20 C21 1.380(7) . ?
C25 H25 0.9300 . ?
C25 C24 1.394(7) . ?
C52 H52 0.9300 . ?
C21 H21 0.9300 . ?
C3 H3 0.9300 . ?
C3 C4 1.386(8) . ?
O9 C8 1.381(7) . ?
O9 C5 1.398(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.378(8) . ?
C23 C28 1.361(10) . ?
C23 C24 1.362(10) . ?
C12 H12 0.9300 . ?
C12 C13 1.385(8) . ?
C28 H28 0.9300 . ?
C8 C13 1.363(9) . ?
C24 H24 0.9300 . ?
C13 H13 0.9300 . ?
C7 H7 0.9300 . ?
C7 C6 1.358(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.358(9) . ?
C5 C6 1.363(10) . ?
C6 H6 0.9300 . ?
O26 H 0.8703 . ?
O26 HA 0.8709 . ?

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
O17 Co5 O17 91.56(14) 3_656 . ?
O17 Co5 O16 89.73(10) 3_656 3_656 ?
O17 Co5 O16 88.20(10) . 3_656 ?
O17 Co5 O16 89.73(10) . . ?
O17 Co5 O16 88.21(10) 3_656 . ?
O16 Co5 O16 177.04(14) . 3_656 ?
O14 Co5 O17 173.03(10) . . ?
O14 Co5 O17 82.32(10) . 3_656 ?
O14 Co5 O17 173.04(10) 3_656 3_656 ?
O14 Co5 O17 82.32(10) 3_656 . ?
O14 Co5 O16 93.38(10) . . ?
O14 Co5 O16 93.37(10) 3_656 3_656 ?
O14 Co5 O16 88.45(10) 3_656 . ?
O14 Co5 O16 88.45(10) . 3_656 ?
O14 Co5 O14 103.98(14) . 3_656 ?
O15 Co2 O17 91.61(10) . 3_656 ?
O15 Co2 O14 91.17(10) . . ?
O15 Co2 O23 90.47(10) . 8_665 ?
O15 Co2 O21 91.48(11) . 6_557 ?
O15 Co2 N5 177.57(11) . . ?
O14 Co2 O17 77.63(9) . 3_656 ?
O23 Co2 O17 87.10(10) 8_665 3_656 ?
O23 Co2 O14 164.68(11) 8_665 . ?
O21 Co2 O17 167.82(11) 6_557 3_656 ?
O21 Co2 O14 90.53(11) 6_557 . ?
O21 Co2 O23 104.65(12) 6_557 8_665 ?
N5 Co2 O17 89.85(11) . 3_656 ?
N5 Co2 O14 91.05(11) . . ?
N5 Co2 O23 87.66(12) . 8_665 ?
N5 Co2 O21 87.48(12) . 6_557 ?
O15 Co3 O15 175.13(14) . 3_556 ?
O15 Co3 O24 94.34(10) . 8_665 ?
O15 Co3 O24 82.24(10) . 6_567 ?
O15 Co3 O24 82.23(10) 3_556 8_665 ?
O15 Co3 O24 94.34(10) 3_556 6_567 ?
O15 Co3 O20 80.49(10) . 8_655 ?
O15 Co3 O20 103.24(10) . 6_557 ?
O15 Co3 O20 103.25(10) 3_556 8_655 ?
O15 Co3 O20 80.49(10) 3_556 6_557 ?
O24 Co3 O24 91.04(17) 8_665 6_567 ?
O24 Co3 O20 172.51(11) 6_567 6_557 ?
O24 Co3 O20 93.59(11) 6_567 8_655 ?
O24 Co3 O20 93.59(11) 8_665 6_557 ?
O24 Co3 O20 172.51(11) 8_665 8_655 ?
O20 Co3 O20 82.42(15) 8_655 6_557 ?
O15 Co4 O16 83.09(10) . 3_656 ?
O15 Co4 O20 78.58(10) . 8_655 ?
O15 Co4 O12 90.14(11) . . ?
O15 Co4 O13 93.71(11) . . ?
O20 Co4 O16 159.38(9) 8_655 3_656 ?
O12 Co4 O16 84.90(11) . 3_656 ?
O12 Co4 O20 85.77(11) . 8_655 ?
O13 Co4 O16 94.49(10) . 3_656 ?
O13 Co4 O20 96.03(11) . 8_655 ?
O13 Co4 O12 176.01(11) . . ?
O8 Co4 O15 169.97(11) . . ?
O8 Co4 O16 106.79(11) . 3_656 ?
O8 Co4 O20 91.40(11) . 8_655 ?
O8 Co4 O12 89.07(12) . . ?
O8 Co4 O13 87.33(12) . . ?
O6 Co6 N3 86.83(11) . 3_656 ?
O6 Co6 N9 88.69(11) . 4_456 ?
O7 Co6 O6 120.76(12) . . ?
O7 Co6 N3 86.34(12) . 3_656 ?
O7 Co6 O10 148.09(13) . 8_665 ?
O7 Co6 N9 92.53(12) . 4_456 ?
O10 Co6 O6 90.57(11) 8_665 . ?
O10 Co6 N3 89.85(13) 8_665 3_656 ?
O10 Co6 N9 94.19(13) 8_665 4_456 ?
N9 Co6 N3 174.00(13) 4_456 3_656 ?
O6 Co1 O2 172.91(10) 3_656 7_566 ?
N2 Co1 O6 89.09(11) . 3_656 ?
N2 Co1 O2 95.68(12) . 7_566 ?
N2 Co1 O25 93.84(14) . . ?
N2 Co1 N7 174.73(13) . 3_656 ?
O4 Co1 O6 85.90(11) 2 3_656 ?
O4 Co1 O2 89.05(12) 2 7_566 ?
O4 Co1 N2 87.73(13) 2 . ?
O4 Co1 O25 175.57(14) 2 . ?
O4 Co1 N7 88.46(13) 2 3_656 ?
O25 Co1 O6 89.98(12) . 3_656 ?
O25 Co1 O2 94.92(12) . 7_566 ?
O25 Co1 N7 89.70(14) . 3_656 ?
N7 Co1 O6 87.00(11) 3_656 3_656 ?
N7 Co1 O2 87.90(12) 3_656 7_566 ?
O6 Co7 O2 140.20(10) . 8_655 ?
O6 Co7 O1 85.65(10) . 8_655 ?
O6 Co7 N8 83.76(11) . 4_456 ?
O6 Co7 N6 93.40(11) . . ?
O1 Co7 O2 58.13(10) 8_655 8_655 ?
O5 Co7 O6 114.84(12) . . ?
O5 Co7 O2 102.81(12) . 8_655 ?
O5 Co7 O1 159.33(12) . 8_655 ?
O5 Co7 N8 87.84(13) . 4_456 ?
O5 Co7 N6 90.66(13) . . ?
N8 Co7 O2 85.27(11) 4_456 8_655 ?
N8 Co7 O1 97.63(13) 4_456 8_655 ?
N8 Co7 N6 175.89(13) 4_456 . ?
N6 Co7 O2 98.80(11) . 8_655 ?
N6 Co7 O1 85.09(13) . 8_655 ?
Co2 O15 Co3 111.09(11) . . ?
Co4 O15 Co2 123.40(12) . . ?
Co4 O15 Co3 103.97(11) . . ?
Co5 O17 Co2 99.39(10) . 3_656 ?
C43 O17 Co5 124.8(2) . . ?
C43 O17 Co2 115.3(2) . 3_656 ?
Co5 O16 Co4 118.51(11) . 3_656 ?
Co5 O14 Co2 99.73(10) . . ?
C44 O14 Co5 130.2(2) . . ?
C44 O14 Co2 117.4(2) . . ?
Co6 O6 Co1 114.04(11) . 3_656 ?
Co7 O6 Co6 117.95(12) . . ?
Co7 O6 Co1 113.36(11) . 3_656 ?
C57 O24 Co3 129.7(2) . 6_657 ?
C57 O23 Co2 130.8(3) . 8_655 ?
Co3 O20 Co4 96.04(10) 6_667 8_665 ?
C30 O20 Co3 121.1(2) . 6_667 ?
C30 O20 Co4 138.7(2) . 8_665 ?
C30 O21 Co2 142.4(3) . 6_667 ?
Co1 O2 Co7 104.65(11) 7_565 8_665 ?
C29 O2 Co1 140.4(3) . 7_565 ?
C29 O2 Co7 88.8(2) . 8_665 ?
Co4 O12 H12A 109.6 . . ?
Co4 O12 H12B 109.5 . . ?
H12A O12 H12B 104.4 . . ?
C14 O7 Co6 142.8(3) . . ?
N3 N4 N5 109.0(3) . . ?
N4 N3 Co6 127.2(2) . 3_656 ?
N4 N3 N2 110.1(3) . . ?
N2 N3 Co6 122.5(2) . 3_656 ?
C44 O13 Co4 127.1(3) . . ?
C29 O1 Co7 94.3(2) . 8_665 ?
N4 N5 Co2 126.4(2) . . ?
C58 N5 Co2 128.4(3) . . ?
C58 N5 N4 105.2(3) . . ?
C14 O8 Co4 129.9(3) . . ?
C1 O10 Co6 100.1(3) . 8_655 ?
N3 N2 Co1 119.7(2) . . ?
C58 N2 Co1 133.4(3) . . ?
C58 N2 N3 104.6(3) . . ?
C16 O5 Co7 125.3(3) . . ?
C16 O4 Co1 139.4(3) . 2_554 ?
N7 N8 Co7 121.1(2) . 4_556 ?
N7 N8 N9 110.0(3) . . ?
N9 N8 Co7 128.1(2) . 4_556 ?
C48 O22 C51 118.9(3) . . ?
Co1 O25 H25A 109.2 . . ?
Co1 O25 H25B 109.3 . . ?
H25A O25 H25B 104.4 . . ?
N8 N7 Co1 122.1(2) . 3_656 ?
N8 N7 N6 109.9(3) . . ?
N6 N7 Co1 127.7(2) . 3_656 ?
N8 N9 Co6 115.7(2) . 4_556 ?
C15 N9 Co6 139.8(3) . 4_556 ?
C15 N9 N8 104.5(3) . . ?
N7 N6 Co7 113.3(2) . . ?
C15 N6 Co7 137.7(3) . . ?
C15 N6 N7 104.6(3) . . ?
N5 C58 N1 124.3(4) . . ?
N2 C58 N5 111.1(3) . . ?
N2 C58 N1 124.7(4) . . ?
C37 O19 C34 121.4(4) . . ?
C58 N1 H1A 108.9 . . ?
C58 N1 H1B 109.5 . . ?
H1A N1 H1B 109.3 . . ?
O17 C43 C40 115.6(3) . . ?
O18 C43 O17 122.9(4) . . ?
O18 C43 C40 121.6(3) . . ?
O7 C14 C11 119.3(4) . . ?
O8 C14 O7 123.2(4) . . ?
O8 C14 C11 117.4(3) . . ?
O14 C44 C45 116.3(3) . . ?
O13 C44 O14 123.7(3) . . ?
O13 C44 C45 120.0(3) . . ?
O24 C57 C54 116.4(3) . . ?
O23 C57 O24 124.7(4) . . ?
O23 C57 C54 118.9(3) . . ?
C39 C40 C43 120.6(4) . . ?
C41 C40 C43 120.8(3) . . ?
C41 C40 C39 118.6(4) . . ?
H10A N10 H10B 109.4 . . ?
C15 N10 H10A 108.6 . . ?
C15 N10 H10B 109.5 . . ?
C10 C11 C14 122.0(4) . . ?
C12 C11 C14 120.0(4) . . ?
C12 C11 C10 117.6(4) . . ?
C50 C45 C44 120.7(4) . . ?
C46 C45 C44 120.4(3) . . ?
C46 C45 C50 118.9(4) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C19 C18 C17 121.0(4) . . ?
C36 C31 C30 120.9(4) . . ?
C36 C31 C32 118.9(4) . . ?
C32 C31 C30 120.2(4) . . ?
O20 C30 C31 119.4(3) . . ?
O21 C30 O20 123.8(3) . . ?
O21 C30 C31 116.8(3) . . ?
O2 C29 C26 120.5(4) . . ?
O1 C29 O2 118.7(4) . . ?
O1 C29 C26 120.6(4) . . ?
O22 C48 C49 125.0(4) . . ?
O22 C48 C47 114.1(4) . . ?
C49 C48 C47 121.0(4) . . ?
C18 C17 C16 119.6(4) . . ?
C18 C17 C22 118.4(4) . . ?
C22 C17 C16 122.0(4) . . ?
C45 C50 H50 119.4 . . ?
C49 C50 C45 121.2(4) . . ?
C49 C50 H50 119.4 . . ?
C55 C54 C57 120.2(4) . . ?
C53 C54 C57 120.7(4) . . ?
C53 C54 C55 119.1(4) . . ?
C40 C39 H39 119.6 . . ?
C38 C39 C40 120.7(4) . . ?
C38 C39 H39 119.6 . . ?
C48 C49 C50 118.6(4) . . ?
C48 C49 H49 120.7 . . ?
C50 C49 H49 120.7 . . ?
C31 C36 H36 119.8 . . ?
C31 C36 C35 120.5(4) . . ?
C35 C36 H36 119.8 . . ?
N9 C15 N10 124.5(4) . . ?
N6 C15 N9 111.0(3) . . ?
N6 C15 N10 124.5(4) . . ?
O5 C16 C17 118.7(4) . . ?
O4 C16 O5 124.9(4) . . ?
O4 C16 C17 116.5(4) . . ?
C40 C41 H41 119.5 . . ?
C42 C41 C40 121.0(4) . . ?
C42 C41 H41 119.5 . . ?
C48 C47 H47 120.1 . . ?
C46 C47 C48 119.8(4) . . ?
C46 C47 H47 120.1 . . ?
C35 C34 O19 121.9(5) . . ?
C33 C34 O19 117.0(4) . . ?
C33 C34 C35 120.8(4) . . ?
C45 C46 H46 119.7 . . ?
C47 C46 C45 120.6(4) . . ?
C47 C46 H46 119.7 . . ?
C39 C38 H38 120.4 . . ?
C37 C38 C39 119.2(4) . . ?
C37 C38 H38 120.4 . . ?
O10 C1 C2 117.2(4) . . ?
O11 C1 O10 119.6(4) . . ?
O11 C1 C2 123.1(5) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 C36 119.3(4) . . ?
C34 C35 H35 120.3 . . ?
C25 C26 C29 122.7(4) . . ?
C25 C26 C27 118.8(5) . . ?
C27 C26 C29 118.4(4) . . ?
C54 C55 H55 119.5 . . ?
C56 C55 C54 120.9(4) . . ?
C56 C55 H55 119.5 . . ?
C31 C32 H32 119.5 . . ?
C33 C32 C31 121.0(4) . . ?
C33 C32 H32 119.5 . . ?
C41 C42 H42 120.1 . . ?
C41 C42 C37 119.7(4) . . ?
C37 C42 H42 120.1 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0(5) . . ?
C20 C19 H19 120.0 . . ?
C56 C51 O22 121.2(4) . . ?
C56 C51 C52 121.4(4) . . ?
C52 C51 O22 117.3(4) . . ?
C34 C33 C32 119.5(4) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C20 O3 C23 122.8(5) . . ?
C11 C10 H10 119.0 . . ?
C9 C10 C11 122.0(5) . . ?
C9 C10 H10 119.0 . . ?
C17 C22 H22 119.3 . . ?
C17 C22 C21 121.4(5) . . ?
C21 C22 H22 119.3 . . ?
C3 C2 C1 119.3(4) . . ?
C3 C2 C7 118.8(5) . . ?
C7 C2 C1 121.7(5) . . ?
C54 C53 H53 119.9 . . ?
C54 C53 C52 120.1(4) . . ?
C52 C53 H53 119.9 . . ?
O19 C37 C38 124.5(4) . . ?
O19 C37 C42 114.7(4) . . ?
C38 C37 C42 120.8(4) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 C10 119.3(5) . . ?
C8 C9 H9 120.4 . . ?
C55 C56 H56 120.4 . . ?
C51 C56 C55 119.1(4) . . ?
C51 C56 H56 120.4 . . ?
C19 C20 O3 113.3(5) . . ?
C19 C20 C21 120.9(4) . . ?
O3 C20 C21 125.7(5) . . ?
C26 C25 H25 119.7 . . ?
C26 C25 C24 120.5(6) . . ?
C24 C25 H25 119.7 . . ?
C51 C52 C53 119.3(4) . . ?
C51 C52 H52 120.4 . . ?
C53 C52 H52 120.4 . . ?
C22 C21 H21 120.8 . . ?
C20 C21 C22 118.4(4) . . ?
C20 C21 H21 120.8 . . ?
C2 C3 H3 119.9 . . ?
C2 C3 C4 120.2(6) . . ?
C4 C3 H3 119.9 . . ?
C8 O9 C5 120.7(5) . . ?
C26 C27 H27 119.5 . . ?
C26 C27 C28 121.0(6) . . ?
C28 C27 H27 119.5 . . ?
C28 C23 O3 117.8(6) . . ?
C28 C23 C24 121.3(5) . . ?
C24 C23 O3 120.2(7) . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.7(5) . . ?
C13 C12 H12 119.6 . . ?
C27 C28 H28 120.4 . . ?
C23 C28 C27 119.2(6) . . ?
C23 C28 H28 120.4 . . ?
C9 C8 O9 116.2(5) . . ?
C9 C8 C13 121.2(5) . . ?
C13 C8 O9 122.5(6) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 C25 119.1(6) . . ?
C23 C24 H24 120.5 . . ?
C12 C13 H13 120.5 . . ?
C8 C13 C12 119.0(6) . . ?
C8 C13 H13 120.5 . . ?
C2 C7 H7 119.2 . . ?
C6 C7 C2 121.5(7) . . ?
C6 C7 H7 119.2 . . ?
C3 C4 H4 120.6 . . ?
C5 C4 C3 118.8(7) . . ?
C5 C4 H4 120.6 . . ?
C4 C5 O9 115.0(7) . . ?
C4 C5 C6 122.2(6) . . ?
C6 C5 O9 122.1(7) . . ?
C7 C6 C5 118.4(6) . . ?
C7 C6 H6 120.8 . . ?
C5 C6 H6 120.8 . . ?
H O26 HA 104.4 . . ?

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
Co5 O17 C43 O18 51.0(5) . . . . ?
Co5 O17 C43 C40 -128.6(3) . . . . ?
Co5 O14 C44 O13 -75.1(5) . . . . ?
Co5 O14 C44 C45 105.1(4) . . . . ?
Co2 O17 C43 O18 -72.3(4) 3_656 . . . ?
Co2 O17 C43 C40 108.1(3) 3_656 . . . ?
Co2 O14 C44 O13 58.4(4) . . . . ?
Co2 O14 C44 C45 -121.5(3) . . . . ?
Co2 O23 C57 O24 -12.1(6) 8_655 . . . ?
Co2 O23 C57 C54 168.3(3) 8_655 . . . ?
Co2 O21 C30 O20 32.3(7) 6_667 . . . ?
Co2 O21 C30 C31 -146.6(3) 6_667 . . . ?
Co2 N5 C58 N2 177.6(3) . . . . ?
Co2 N5 C58 N1 -1.9(6) . . . . ?
Co3 O24 C57 O23 39.2(6) 6_657 . . . ?
Co3 O24 C57 C54 -141.1(3) 6_657 . . . ?
Co3 O20 C30 O21 -29.9(5) 6_667 . . . ?
Co3 O20 C30 C31 149.0(3) 6_667 . . . ?
Co4 O20 C30 O21 120.7(4) 8_665 . . . ?
Co4 O20 C30 C31 -60.4(5) 8_665 . . . ?
Co4 O13 C44 O14 9.6(5) . . . . ?
Co4 O13 C44 C45 -170.6(3) . . . . ?
Co4 O8 C14 O7 0.3(6) . . . . ?
Co4 O8 C14 C11 177.5(3) . . . . ?
Co6 O7 C14 O8 -134.7(4) . . . . ?
Co6 O7 C14 C11 48.2(6) . . . . ?
Co6 N3 N2 Co1 -9.3(4) 3_656 . . . ?
Co6 N3 N2 C58 -174.7(3) 3_656 . . . ?
Co6 O10 C1 O11 1.6(5) 8_655 . . . ?
Co6 O10 C1 C2 179.9(4) 8_655 . . . ?
Co6 N9 C15 N6 -179.3(3) 4_556 . . . ?
Co6 N9 C15 N10 0.1(8) 4_556 . . . ?
Co1 O2 C29 O1 110.1(4) 7_565 . . . ?
Co1 O2 C29 C26 -73.9(5) 7_565 . . . ?
Co1 N2 C58 N5 -162.5(3) . . . . ?
Co1 N2 C58 N1 17.0(7) . . . . ?
Co1 O4 C16 O5 39.1(7) 2_554 . . . ?
Co1 O4 C16 C17 -140.9(4) 2_554 . . . ?
Co1 N7 N6 Co7 -14.2(4) 3_656 . . . ?
Co1 N7 N6 C15 -174.8(3) 3_656 . . . ?
Co7 O2 C29 O1 -1.8(4) 8_665 . . . ?
Co7 O2 C29 C26 174.2(4) 8_665 . . . ?
Co7 O1 C29 O2 1.8(4) 8_665 . . . ?
Co7 O1 C29 C26 -174.1(3) 8_665 . . . ?
Co7 O5 C16 O4 -12.3(6) . . . . ?
Co7 O5 C16 C17 167.6(3) . . . . ?
Co7 N8 N7 Co1 3.9(4) 4_556 . . 3_656 ?
Co7 N8 N7 N6 -170.2(2) 4_556 . . . ?
Co7 N8 N9 Co6 -11.1(4) 4_556 . . 4_556 ?
Co7 N8 N9 C15 170.3(3) 4_556 . . . ?
Co7 N6 C15 N9 -151.5(3) . . . . ?
Co7 N6 C15 N10 29.0(7) . . . . ?
O17 C43 C40 C39 179.8(4) . . . . ?
O17 C43 C40 C41 0.8(5) . . . . ?
O14 C44 C45 C50 -174.1(4) . . . . ?
O14 C44 C45 C46 3.7(6) . . . . ?
O24 C57 C54 C55 -175.0(4) . . . . ?
O24 C57 C54 C53 6.4(6) . . . . ?
O23 C57 C54 C55 4.7(6) . . . . ?
O23 C57 C54 C53 -173.9(4) . . . . ?
O2 C29 C26 C25 14.0(7) . . . . ?
O2 C29 C26 C27 -163.8(4) . . . . ?
O7 C14 C11 C10 8.9(6) . . . . ?
O7 C14 C11 C12 -178.3(5) . . . . ?
O18 C43 C40 C39 0.2(6) . . . . ?
O18 C43 C40 C41 -178.8(4) . . . . ?
N4 N3 N2 Co1 165.7(2) . . . . ?
N4 N3 N2 C58 0.3(4) . . . . ?
N4 N5 C58 N2 -0.3(4) . . . . ?
N4 N5 C58 N1 -179.7(4) . . . . ?
N3 N4 N5 Co2 -177.5(2) . . . . ?
N3 N4 N5 C58 0.5(4) . . . . ?
N3 N2 C58 N5 0.0(4) . . . . ?
N3 N2 C58 N1 179.4(4) . . . . ?
O13 C44 C45 C50 6.1(6) . . . . ?
O13 C44 C45 C46 -176.1(4) . . . . ?
O1 C29 C26 C25 -170.0(5) . . . . ?
O1 C29 C26 C27 12.1(7) . . . . ?
N5 N4 N3 Co6 174.2(2) . . . 3_656 ?
N5 N4 N3 N2 -0.5(4) . . . . ?
O8 C14 C11 C10 -168.5(4) . . . . ?
O8 C14 C11 C12 4.4(7) . . . . ?
O10 C1 C2 C3 4.0(7) . . . . ?
O10 C1 C2 C7 -172.1(5) . . . . ?
N8 N7 N6 Co7 159.4(3) . . . . ?
N8 N7 N6 C15 -1.2(4) . . . . ?
N8 N9 C15 N6 -1.3(5) . . . . ?
N8 N9 C15 N10 178.2(4) . . . . ?
O22 C48 C49 C50 -176.7(4) . . . . ?
O22 C48 C47 C46 176.6(4) . . . . ?
O22 C51 C56 C55 -177.4(4) . . . . ?
O22 C51 C52 C53 177.6(5) . . . . ?
N7 N8 N9 Co6 179.1(3) . . . 4_556 ?
N7 N8 N9 C15 0.5(4) . . . . ?
N7 N6 C15 N9 1.5(5) . . . . ?
N7 N6 C15 N10 -177.9(4) . . . . ?
N9 N8 N7 Co1 174.5(2) . . . 3_656 ?
N9 N8 N7 N6 0.4(4) . . . . ?
O11 C1 C2 C3 -177.8(5) . . . . ?
O11 C1 C2 C7 6.0(8) . . . . ?
O19 C34 C35 C36 -171.5(4) . . . . ?
O19 C34 C33 C32 174.1(4) . . . . ?
C43 C40 C39 C38 -179.9(4) . . . . ?
C43 C40 C41 C42 -179.9(4) . . . . ?
C14 C11 C10 C9 175.4(5) . . . . ?
C14 C11 C12 C13 -172.9(6) . . . . ?
C44 C45 C50 C49 177.1(4) . . . . ?
C44 C45 C46 C47 -177.3(4) . . . . ?
C57 C54 C55 C56 -177.8(4) . . . . ?
C57 C54 C53 C52 177.8(4) . . . . ?
C40 C39 C38 C37 -0.1(7) . . . . ?
C40 C41 C42 C37 -0.3(7) . . . . ?
C11 C10 C9 C8 -2.1(9) . . . . ?
C11 C12 C13 C8 -3.1(12) . . . . ?
C45 C50 C49 C48 -0.2(7) . . . . ?
C18 C17 C16 O5 165.1(4) . . . . ?
C18 C17 C16 O4 -15.0(6) . . . . ?
C18 C17 C22 C21 1.3(8) . . . . ?
C18 C19 C20 O3 -175.0(5) . . . . ?
C18 C19 C20 C21 1.0(9) . . . . ?
C31 C36 C35 C34 -2.5(7) . . . . ?
C31 C32 C33 C34 -2.0(8) . . . . ?
C30 C31 C36 C35 -176.0(4) . . . . ?
C30 C31 C32 C33 178.3(4) . . . . ?
C29 C26 C25 C24 -176.0(5) . . . . ?
C29 C26 C27 C28 175.7(5) . . . . ?
C48 O22 C51 C56 -68.1(6) . . . . ?
C48 O22 C51 C52 115.5(5) . . . . ?
C48 C47 C46 C45 0.7(7) . . . . ?
C17 C18 C19 C20 -0.9(8) . . . . ?
C17 C22 C21 C20 -1.1(9) . . . . ?
C50 C45 C46 C47 0.5(7) . . . . ?
C54 C55 C56 C51 0.2(7) . . . . ?
C54 C53 C52 C51 -0.2(8) . . . . ?
C39 C40 C41 C42 1.1(7) . . . . ?
C39 C38 C37 O19 -176.4(5) . . . . ?
C39 C38 C37 C42 1.0(7) . . . . ?
C49 C48 C47 C46 -1.7(7) . . . . ?
C36 C31 C30 O20 -19.5(6) . . . . ?
C36 C31 C30 O21 159.4(4) . . . . ?
C36 C31 C32 C33 1.1(7) . . . . ?
C16 C17 C22 C21 -174.9(5) . . . . ?
C41 C40 C39 C38 -0.9(6) . . . . ?
C41 C42 C37 O19 176.8(5) . . . . ?
C41 C42 C37 C38 -0.8(8) . . . . ?
C47 C48 C49 C50 1.5(7) . . . . ?
C34 O19 C37 C38 -15.9(8) . . . . ?
C34 O19 C37 C42 166.6(5) . . . . ?
C46 C45 C50 C49 -0.7(7) . . . . ?
C1 C2 C3 C4 -175.6(6) . . . . ?
C1 C2 C7 C6 174.3(6) . . . . ?
C35 C34 C33 C32 0.5(7) . . . . ?
C26 C25 C24 C23 0.2(10) . . . . ?
C26 C27 C28 C23 0.8(10) . . . . ?
C55 C54 C53 C52 -0.8(7) . . . . ?
C32 C31 C30 O20 163.4(4) . . . . ?
C32 C31 C30 O21 -17.7(6) . . . . ?
C32 C31 C36 C35 1.2(6) . . . . ?
C19 C18 C17 C16 176.0(5) . . . . ?
C19 C18 C17 C22 -0.3(7) . . . . ?
C19 C20 C21 C22 0.0(10) . . . . ?
C51 O22 C48 C49 -8.8(7) . . . . ?
C51 O22 C48 C47 172.9(4) . . . . ?
C33 C34 C35 C36 1.7(7) . . . . ?
O3 C20 C21 C22 175.4(6) . . . . ?
O3 C23 C28 C27 -169.7(6) . . . . ?
O3 C23 C24 C25 169.0(6) . . . . ?
C10 C11 C12 C13 0.3(10) . . . . ?
C10 C9 C8 O9 175.3(6) . . . . ?
C10 C9 C8 C13 -0.9(11) . . . . ?
C22 C17 C16 O5 -18.8(7) . . . . ?
C22 C17 C16 O4 161.1(5) . . . . ?
C2 C3 C4 C5 0.5(10) . . . . ?
C2 C7 C6 C5 1.7(11) . . . . ?
C53 C54 C55 C56 0.8(7) . . . . ?
C37 O19 C34 C35 -62.6(7) . . . . ?
C37 O19 C34 C33 123.9(5) . . . . ?
C9 C8 C13 C12 3.4(13) . . . . ?
C56 C51 C52 C53 1.2(8) . . . . ?
C20 O3 C23 C28 -108.3(7) . . . . ?
C20 O3 C23 C24 80.7(8) . . . . ?
C25 C26 C27 C28 -2.3(9) . . . . ?
C52 C51 C56 C55 -1.2(7) . . . . ?
C3 C2 C7 C6 -1.8(10) . . . . ?
C3 C4 C5 O9 170.0(6) . . . . ?
C3 C4 C5 C6 -0.6(11) . . . . ?
O9 C8 C13 C12 -172.5(8) . . . . ?
O9 C5 C6 C7 -170.4(7) . . . . ?
C27 C26 C25 C24 1.8(9) . . . . ?
C23 O3 C20 C19 -177.6(6) . . . . ?
C23 O3 C20 C21 6.6(10) . . . . ?
C12 C11 C10 C9 2.3(8) . . . . ?
C28 C23 C24 C25 -1.7(10) . . . . ?
C8 O9 C5 C4 137.8(7) . . . . ?
C8 O9 C5 C6 -51.6(11) . . . . ?
C24 C23 C28 C27 1.2(10) . . . . ?
C7 C2 C3 C4 0.7(9) . . . . ?
C4 C5 C6 C7 -0.5(12) . . . . ?
C5 O9 C8 C9 150.2(7) . . . . ?
C5 O9 C8 C13 -33.7(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
