#------------------------------------------------------------------------------
#$Date: 2019-11-25 00:43:39 +0200 (Mon, 25 Nov 2019) $
#$Revision: 239795 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/02/4350219.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4350219
loop_
_publ_author_name
'Akine, Shigehisa'
'Dong, Wenkui'
'Nabeshima, Tatsuya'
_publ_section_title
;
 Octanuclear zinc(II) and cobalt(II) clusters produced by cooperative
 tetrameric assembling of oxime chelate ligands.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4677
_journal_page_last               4684
_journal_paper_doi               10.1021/ic060055n
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         C72.50H75.50Cl4.50Co8N8O29
_chemical_formula_sum            'C72.5 H75.5 Cl4.5 Co8 N8 O29'
_chemical_formula_weight         2153.87
_chemical_name_common            '[L4Co8(H2O)3]'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.9710(10)
_cell_angle_beta                 105.5410(10)
_cell_angle_gamma                97.1290(10)
_cell_formula_units_Z            2
_cell_length_a                   15.2359(10)
_cell_length_b                   16.9625(12)
_cell_length_c                   18.9325(13)
_cell_measurement_reflns_used    21675
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.53
_cell_volume                     4526.9(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  ORTEP-3
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0575
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21675
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.53
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.640
_exptl_absorpt_correction_T_max  0.9679
_exptl_absorpt_correction_T_min  0.8665
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'reddish brown'
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2182
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.008
_refine_diff_density_min         -1.056
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1088
_refine_ls_number_reflns         15640
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0602
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1049P)²+15.4386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1673
_refine_ls_wR_factor_ref         0.1945
_reflns_number_gt                10931
_reflns_number_total             15640
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060055nsi20060111_063924.cif
_cod_data_source_block           L4Co8
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C72.50 H75.50 Cl4.50 Co8 N8 O29'
_cod_database_code               4350219
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.81490(5) 0.08059(5) 0.33627(5) 0.0245(2) Uani 1 1 d . . .
Co2 Co 0.65677(6) 0.38045(5) 0.47432(5) 0.0304(2) Uani 1 1 d . B .
Co3 Co 0.45818(6) 0.24121(5) 0.06288(5) 0.0286(2) Uani 1 1 d . . .
Co4 Co 0.32076(6) -0.03910(7) 0.28266(6) 0.0429(3) Uani 1 1 d . . .
Co5 Co 0.69753(6) 0.21526(5) 0.36434(5) 0.0235(2) Uani 1 1 d . . .
Co6 Co 0.53565(6) 0.30119(5) 0.26266(5) 0.0245(2) Uani 1 1 d . . .
Co7 Co 0.40187(6) 0.10209(5) 0.18083(5) 0.0267(2) Uani 1 1 d . . .
Co8 Co 0.56877(5) 0.01865(5) 0.29426(5) 0.0230(2) Uani 1 1 d . . .
C1 C 0.7881(4) -0.1055(4) 0.3746(4) 0.0294(14) Uani 1 1 d . . .
C2 C 0.7087(4) -0.0787(4) 0.3381(3) 0.0247(13) Uani 1 1 d . . .
C3 C 0.6208(4) -0.1311(4) 0.3150(3) 0.0246(13) Uani 1 1 d . . .
C4 C 0.6150(5) -0.2102(4) 0.3258(4) 0.0304(15) Uani 1 1 d . . .
H1 H 0.5562 -0.2459 0.3094 0.036 Uiso 1 1 calc R . .
C5 C 0.6939(5) -0.2374(4) 0.3601(4) 0.0378(17) Uani 1 1 d . . .
H2 H 0.6890 -0.2918 0.3663 0.045 Uiso 1 1 calc R . .
C6 C 0.7783(5) -0.1867(4) 0.3849(4) 0.0362(16) Uani 1 1 d . . .
H3 H 0.8315 -0.2056 0.4095 0.043 Uiso 1 1 calc R . .
O1 O 0.7088(3) -0.0045(2) 0.3244(2) 0.0251(9) Uani 1 1 d . . .
O2 O 0.5463(3) -0.1008(3) 0.2853(2) 0.0264(9) Uani 1 1 d . . .
C7 C 0.8811(5) -0.0586(4) 0.3986(4) 0.0349(16) Uani 1 1 d . . .
H4 H 0.9298 -0.0828 0.4228 0.042 Uiso 1 1 calc R . .
N1 N 0.9030(4) 0.0133(4) 0.3900(3) 0.0331(13) Uani 1 1 d . . .
O3 O 1.0016(3) 0.0403(3) 0.4188(3) 0.0385(12) Uani 1 1 d . . .
C8 C 1.0312(5) 0.0986(5) 0.3810(4) 0.0429(18) Uani 1 1 d . . .
H5 H 1.0952 0.1275 0.4107 0.052 Uiso 1 1 calc R . .
H6 H 0.9908 0.1400 0.3803 0.052 Uiso 1 1 calc R . .
C9 C 1.0298(5) 0.0625(6) 0.3014(5) 0.050(2) Uani 1 1 d . . .
H7 H 1.0543 0.1072 0.2814 0.060 Uiso 1 1 calc R . .
H8 H 1.0726 0.0231 0.3026 0.060 Uiso 1 1 calc R . .
O4 O 0.9410(3) 0.0213(3) 0.2497(3) 0.0410(12) Uani 1 1 d . . .
N2 N 0.8749(4) 0.0742(3) 0.2516(3) 0.0321(13) Uani 1 1 d . . .
C10 C 0.8594(5) 0.1056(4) 0.1941(4) 0.0324(15) Uani 1 1 d . . .
H9 H 0.8892 0.0892 0.1569 0.039 Uiso 1 1 calc R . .
C11 C 0.7993(4) 0.1643(4) 0.1830(3) 0.0281(14) Uani 1 1 d . . .
C12 C 0.7413(4) 0.1815(4) 0.2283(3) 0.0253(13) Uani 1 1 d . . .
C13 C 0.7016(4) 0.2525(4) 0.2267(3) 0.0231(13) Uani 1 1 d . . .
C14 C 0.7109(5) 0.2983(4) 0.1762(4) 0.0324(15) Uani 1 1 d . . .
H10 H 0.6825 0.3450 0.1748 0.039 Uiso 1 1 calc R . .
C15 C 0.7629(5) 0.2757(5) 0.1265(4) 0.0374(16) Uani 1 1 d . . .
H11 H 0.7675 0.3059 0.0903 0.045 Uiso 1 1 calc R . .
C16 C 0.8065(5) 0.2108(4) 0.1302(4) 0.0336(15) Uani 1 1 d . . .
H12 H 0.8421 0.1966 0.0970 0.040 Uiso 1 1 calc R . .
O5 O 0.7240(3) 0.1380(2) 0.2745(2) 0.0238(9) Uani 1 1 d . . .
O6 O 0.6592(3) 0.2736(3) 0.2811(2) 0.0275(10) Uani 1 1 d . . .
C17 C 0.8736(5) 0.3580(4) 0.5761(4) 0.0338(15) Uani 1 1 d . . .
C18 C 0.8268(4) 0.3016(4) 0.5067(3) 0.0261(14) Uani 1 1 d . . .
C19 C 0.8662(4) 0.2335(4) 0.4823(4) 0.0268(14) Uani 1 1 d . . .
C20 C 0.9484(4) 0.2223(4) 0.5289(4) 0.0313(15) Uani 1 1 d . . .
H13 H 0.9743 0.1762 0.5128 0.038 Uiso 1 1 calc R . .
C21 C 0.9936(4) 0.2769(4) 0.5983(4) 0.0349(16) Uani 1 1 d . . .
H14 H 1.0491 0.2676 0.6300 0.042 Uiso 1 1 calc R . .
C22 C 0.9577(5) 0.3448(5) 0.6211(4) 0.0397(17) Uani 1 1 d . . .
H15 H 0.9902 0.3834 0.6679 0.048 Uiso 1 1 calc R . .
O7 O 0.7463(3) 0.3087(3) 0.4606(2) 0.0299(10) Uani 1 1 d . . .
O8 O 0.8209(3) 0.1838(3) 0.4137(2) 0.0304(10) Uani 1 1 d . . .
C23 C 0.8420(5) 0.4323(4) 0.6040(4) 0.0393(17) Uani 1 1 d . . .
H16 H 0.8814 0.4689 0.6498 0.047 Uiso 1 1 calc R . .
N3 N 0.7661(4) 0.4528(3) 0.5728(3) 0.0387(14) Uani 1 1 d . . .
O9 O 0.7631(4) 0.5315(3) 0.6148(3) 0.0508(14) Uani 1 1 d . . .
C24 C 0.6722(7) 0.5474(5) 0.5972(5) 0.057(2) Uani 1 1 d . . .
H17 H 0.6431 0.5298 0.5416 0.068 Uiso 1 1 calc R . .
H18 H 0.6750 0.6072 0.6135 0.068 Uiso 1 1 calc R . .
C25 C 0.6130(7) 0.5040(5) 0.6344(5) 0.063(3) Uani 1 1 d . . .
H19 H 0.6372 0.5278 0.6898 0.076 Uiso 1 1 calc R . .
H20 H 0.5492 0.5143 0.6170 0.076 Uiso 1 1 calc R . .
O10 O 0.6090(4) 0.4157(3) 0.6194(3) 0.0528(15) Uani 1 1 d . . .
N4 N 0.5733(5) 0.3783(4) 0.5397(3) 0.0387(14) Uani 1 1 d . . .
C26 C 0.4917(6) 0.3356(5) 0.5230(4) 0.0400(18) Uani 1 1 d . . .
H21 H 0.4655 0.3368 0.5633 0.048 Uiso 1 1 calc R . .
C27 C 0.4360(5) 0.2862(4) 0.4501(4) 0.0321(15) Uani 1 1 d . . .
C28 C 0.4682(4) 0.2731(4) 0.3860(4) 0.0277(14) Uani 1 1 d . . .
C29 C 0.4041(4) 0.2234(4) 0.3161(4) 0.0287(14) Uani 1 1 d . . .
C30 C 0.3148(5) 0.1908(5) 0.3115(4) 0.0375(17) Uani 1 1 d . . .
H22 H 0.2729 0.1589 0.2645 0.045 Uiso 1 1 calc R . .
C31 C 0.2860(5) 0.2049(5) 0.3766(5) 0.0425(19) Uani 1 1 d . . .
H23 H 0.2244 0.1823 0.3735 0.051 Uiso 1 1 calc R . .
C32 C 0.3449(5) 0.2506(5) 0.4441(5) 0.0433(19) Uani 1 1 d . . .
H24 H 0.3245 0.2586 0.4878 0.052 Uiso 1 1 calc R . .
O11 O 0.5517(3) 0.3042(3) 0.3852(2) 0.0265(9) Uani 1 1 d . . .
O12 O 0.4334(3) 0.2111(3) 0.2539(2) 0.0281(10) Uani 1 1 d . . .
C33 C 0.4692(6) 0.4496(4) 0.1072(4) 0.046(2) Uani 1 1 d . . .
C34 C 0.4942(5) 0.4104(4) 0.1654(4) 0.0328(16) Uani 1 1 d . . .
C35 C 0.5250(6) 0.4585(4) 0.2417(4) 0.0401(18) Uani 1 1 d . . .
C36 C 0.5331(9) 0.5424(5) 0.2565(5) 0.078(4) Uani 1 1 d . . .
H25 H 0.5560 0.5743 0.3075 0.094 Uiso 1 1 calc R . .
C37 C 0.5086(11) 0.5811(5) 0.1990(5) 0.106(5) Uani 1 1 d . . .
H26 H 0.5140 0.6390 0.2102 0.127 Uiso 1 1 calc R . .
C38 C 0.4763(9) 0.5350(5) 0.1252(5) 0.086(4) Uani 1 1 d . . .
H27 H 0.4583 0.5616 0.0856 0.103 Uiso 1 1 calc R . .
O13 O 0.4927(3) 0.3295(2) 0.1558(2) 0.0284(10) Uani 1 1 d . . .
O14 O 0.5449(3) 0.4192(3) 0.2966(2) 0.0340(11) Uani 1 1 d . . .
C39 C 0.4347(6) 0.4090(4) 0.0279(4) 0.0413(18) Uani 1 1 d . . .
H28 H 0.4163 0.4418 -0.0064 0.050 Uiso 1 1 calc R . .
N5 N 0.4269(4) 0.3327(3) 0.0002(3) 0.0383(14) Uani 1 1 d . . .
O15 O 0.3864(4) 0.3141(3) -0.0798(3) 0.0464(14) Uani 1 1 d . . .
C40 C 0.3993(6) 0.2359(4) -0.1160(4) 0.0403(18) Uani 1 1 d . . .
H29 H 0.3565 0.2186 -0.1683 0.048 Uiso 1 1 calc R . .
H30 H 0.3828 0.1953 -0.0886 0.048 Uiso 1 1 calc R . .
C41 C 0.4979(6) 0.2354(4) -0.1186(4) 0.0437(19) Uani 1 1 d . . .
H31 H 0.5022 0.1792 -0.1435 0.052 Uiso 1 1 calc R . .
H32 H 0.5125 0.2723 -0.1498 0.052 Uiso 1 1 calc R . .
O16 O 0.5652(4) 0.2609(3) -0.0454(3) 0.0398(12) Uani 1 1 d . . .
N6 N 0.5431(4) 0.2111(3) 0.0026(3) 0.0315(13) Uani 1 1 d . . .
C42 C 0.5881(5) 0.1512(4) 0.0016(4) 0.0323(15) Uani 1 1 d . . .
H33 H 0.6246 0.1450 -0.0320 0.039 Uiso 1 1 calc R . .
C43 C 0.5874(4) 0.0937(4) 0.0470(3) 0.0286(14) Uani 1 1 d . . .
C44 C 0.5399(4) 0.0967(4) 0.1013(3) 0.0255(14) Uani 1 1 d . . .
C45 C 0.5497(4) 0.0371(4) 0.1445(3) 0.0228(13) Uani 1 1 d . . .
C46 C 0.6053(4) -0.0187(4) 0.1346(3) 0.0273(14) Uani 1 1 d . . .
H34 H 0.6118 -0.0570 0.1649 0.033 Uiso 1 1 calc R . .
C47 C 0.6531(5) -0.0207(4) 0.0806(4) 0.0328(15) Uani 1 1 d . . .
H35 H 0.6923 -0.0594 0.0746 0.039 Uiso 1 1 calc R . .
C48 C 0.6422(5) 0.0342(4) 0.0368(4) 0.0303(15) Uani 1 1 d . . .
H36 H 0.6724 0.0320 -0.0012 0.036 Uiso 1 1 calc R . .
O17 O 0.4860(3) 0.1499(2) 0.1153(2) 0.0262(9) Uani 1 1 d . . .
O18 O 0.5025(3) 0.0384(2) 0.1963(2) 0.0249(9) Uani 1 1 d . . .
C49 C 0.1465(5) -0.0776(5) 0.1151(5) 0.052(2) Uani 1 1 d . . .
C50 C 0.2218(5) -0.0121(5) 0.1322(4) 0.0401(18) Uani 1 1 d . . .
C51 C 0.2214(4) 0.0350(4) 0.0785(4) 0.0335(15) Uani 1 1 d . . .
C52 C 0.1517(5) 0.0169(5) 0.0101(4) 0.0387(17) Uani 1 1 d . . .
H37 H 0.1535 0.0498 -0.0246 0.046 Uiso 1 1 calc R . .
C53 C 0.0781(5) -0.0502(5) -0.0080(4) 0.0441(19) Uani 1 1 d . . .
H38 H 0.0306 -0.0636 -0.0553 0.053 Uiso 1 1 calc R . .
C54 C 0.0759(5) -0.0964(5) 0.0440(5) 0.051(2) Uani 1 1 d . . .
H39 H 0.0263 -0.1415 0.0320 0.061 Uiso 1 1 calc R . .
O19 O 0.2950(3) 0.0102(3) 0.1961(3) 0.0413(12) Uani 1 1 d . . .
O20 O 0.2934(3) 0.0981(3) 0.0969(3) 0.0357(11) Uani 1 1 d . . .
C55 C 0.1328(6) -0.1261(6) 0.1672(6) 0.068(3) Uani 1 1 d . . .
H40 H 0.0781 -0.1672 0.1504 0.081 Uiso 1 1 calc R . .
N7 N 0.1866(4) -0.1191(5) 0.2329(5) 0.066(2) Uani 1 1 d . . .
O21 O 0.1479(4) -0.1789(4) 0.2656(4) 0.084(3) Uani 1 1 d . . .
C56 C 0.1964(5) -0.1673(6) 0.3441(6) 0.066(3) Uani 1 1 d . . .
H41 H 0.2639 -0.1563 0.3512 0.079 Uiso 1 1 calc R . .
H42 H 0.1816 -0.2189 0.3588 0.079 Uiso 1 1 calc R . .
C57 C 0.1736(6) -0.0986(6) 0.3960(7) 0.072(3) Uani 1 1 d . . .
H43 H 0.1071 -0.1116 0.3922 0.086 Uiso 1 1 calc R . .
H44 H 0.2102 -0.0944 0.4488 0.086 Uiso 1 1 calc R . .
O22 O 0.1923(3) -0.0216(4) 0.3789(4) 0.068(2) Uani 1 1 d . . .
N8 N 0.2867(4) -0.0033(4) 0.3789(5) 0.0490(18) Uani 1 1 d . . .
C58 C 0.3387(5) 0.0415(6) 0.4431(5) 0.049(2) Uani 1 1 d . . .
H45 H 0.3116 0.0506 0.4830 0.059 Uiso 1 1 calc R . .
C59 C 0.4334(5) 0.0790(5) 0.4604(4) 0.0375(17) Uani 1 1 d . . .
C60 C 0.4807(4) 0.0759(4) 0.4050(4) 0.0285(14) Uani 1 1 d . . .
C61 C 0.5711(4) 0.1249(4) 0.4288(4) 0.0265(14) Uani 1 1 d . . .
C62 C 0.6115(5) 0.1693(4) 0.5018(4) 0.0322(15) Uani 1 1 d . . .
H46 H 0.6725 0.2005 0.5157 0.039 Uiso 1 1 calc R . .
C63 C 0.5658(6) 0.1704(5) 0.5567(4) 0.0428(19) Uani 1 1 d . . .
H47 H 0.5952 0.2011 0.6076 0.051 Uiso 1 1 calc R . .
C64 C 0.4771(6) 0.1258(5) 0.5353(4) 0.047(2) Uani 1 1 d . . .
H48 H 0.4446 0.1265 0.5718 0.056 Uiso 1 1 calc R . .
O23 O 0.4479(3) 0.0317(3) 0.3346(3) 0.0322(11) Uani 1 1 d . . .
O24 O 0.6136(3) 0.1228(3) 0.3738(2) 0.0256(9) Uani 1 1 d . . .
O25 O 0.6636(4) 0.4710(3) 0.4224(3) 0.0532(15) Uani 1 1 d D . .
H49 H 0.707(6) 0.523(4) 0.427(7) 0.080 Uiso 1 1 d D A 1
H50 H 0.618(5) 0.454(6) 0.371(2) 0.080 Uiso 1 1 d D . .
O26 O 0.3200(3) 0.1989(3) 0.0248(3) 0.0376(11) Uani 1 1 d D . .
H51 H 0.275(4) 0.239(3) 0.027(4) 0.039(19) Uiso 1 1 d D . .
H52 H 0.300(6) 0.150(3) 0.043(5) 0.06(3) Uiso 1 1 d D . .
O27 O 0.3736(3) -0.1422(3) 0.2621(3) 0.0430(13) Uani 1 1 d D . .
H53 H 0.345(6) -0.193(4) 0.221(4) 0.08(3) Uiso 1 1 d D . .
H54 H 0.4415(18) -0.136(5) 0.270(5) 0.06(3) Uiso 1 1 d D . .
C65 C 0.753(2) 0.508(2) 0.4123(18) 0.141(13) Uani 0.50 1 d PU B 2
H55 H 0.7736 0.5595 0.4531 0.170 Uiso 0.50 1 calc PR B 2
H56 H 0.7953 0.4714 0.4298 0.170 Uiso 0.50 1 calc PR B 2
C66 C 0.778(3) 0.526(3) 0.366(2) 0.158(14) Uani 0.50 1 d PU B 2
H57 H 0.8454 0.5478 0.3851 0.237 Uiso 0.50 1 calc PR B 2
H58 H 0.7460 0.5680 0.3481 0.237 Uiso 0.50 1 calc PR B 2
H59 H 0.7659 0.4776 0.3231 0.237 Uiso 0.50 1 calc PR B 2
O28 O 0.817(4) 0.603(3) 0.464(3) 0.34(3) Uani 0.50 1 d P C 1
Cl1 Cl 0.263(2) 0.340(2) 0.171(2) 0.515(12) Uiso 0.50 1 d PD D 1
Cl2 Cl 0.096(2) 0.403(2) 0.154(2) 0.515(12) Uiso 0.50 1 d PD D 1
Cl3 Cl 0.105(2) 0.2460(19) 0.188(2) 0.515(12) Uiso 0.50 1 d PD D 1
C67 C 0.144(2) 0.313(2) 0.138(2) 0.515(12) Uiso 0.50 1 d PD D 1
H60 H 0.1236 0.2852 0.0830 0.619 Uiso 0.50 1 calc PR D 1
Cl4 Cl 0.0148(14) 0.4504(11) 0.4628(12) 0.306(6) Uiso 0.50 1 d PD . 1
Cl5 Cl 0.1081(13) 0.3205(12) 0.4170(12) 0.306(6) Uiso 0.50 1 d PD E 1
Cl6 Cl -0.0762(13) 0.3185(12) 0.3379(12) 0.306(6) Uiso 0.50 1 d PD E 1
C68 C 0.0052(19) 0.3439(17) 0.4287(17) 0.306(6) Uiso 0.50 1 d PD E 1
H61 H -0.0162 0.3130 0.4626 0.367 Uiso 0.50 1 calc PR E 1
Cl7 Cl 0.0481(16) 0.3001(13) 0.2779(13) 0.341(7) Uiso 0.50 1 d PD F 2
Cl8 Cl -0.0267(17) 0.3721(15) 0.3923(12) 0.341(7) Uiso 0.50 1 d PD F 2
Cl9 Cl -0.0547(16) 0.4270(14) 0.2579(12) 0.341(7) Uiso 0.50 1 d PD F 2
C69 C -0.039(3) 0.347(2) 0.2964(17) 0.341(7) Uiso 0.50 1 d PD F 2
H62 H -0.0973 0.3052 0.2719 0.409 Uiso 0.50 1 calc PR F 2
C70 C 0.272(2) 0.533(2) -0.068(2) 0.319(18) Uiso 1 1 d . . .
H63 H 0.3189 0.5807 -0.0632 0.478 Uiso 1 1 calc R . .
H64 H 0.2942 0.5062 -0.0277 0.478 Uiso 1 1 calc R . .
H65 H 0.2145 0.5522 -0.0638 0.478 Uiso 1 1 calc R . .
C71 C 0.2530(17) 0.4767(15) -0.1404(14) 0.199(9) Uiso 1 1 d . . .
H66 H 0.3097 0.4567 -0.1459 0.239 Uiso 1 1 calc R . .
H67 H 0.2290 0.5026 -0.1821 0.239 Uiso 1 1 calc R . .
C72 C 0.168(2) 0.395(2) -0.1402(19) 0.275(15) Uiso 1 1 d . . .
H68 H 0.1841 0.3768 -0.0927 0.330 Uiso 1 1 calc R . .
H69 H 0.1051 0.4092 -0.1496 0.330 Uiso 1 1 calc R . .
C73 C 0.176(2) 0.335(2) -0.205(2) 0.276(15) Uiso 1 1 d . . .
H70 H 0.2392 0.3247 -0.1995 0.331 Uiso 1 1 calc R . .
H71 H 0.1469 0.3455 -0.2544 0.331 Uiso 1 1 calc R . .
C74 C 0.110(2) 0.267(2) -0.182(2) 0.302(17) Uiso 1 1 d . . .
H72 H 0.1021 0.2959 -0.1333 0.362 Uiso 1 1 calc R . .
H73 H 0.0483 0.2565 -0.2201 0.362 Uiso 1 1 calc R . .
O29 O 0.252(2) 0.690(2) 0.118(2) 0.232(14) Uiso 0.50 1 d P . .
O30 O 0.250(2) 0.6256(19) 0.2270(18) 0.199(12) Uiso 0.50 1 d P . .
O31 O 0.143(2) 0.260(2) 0.058(2) 0.232(14) Uiso 0.50 1 d P G 2
C75 C 0.1282(18) 0.1847(16) -0.1722(15) 0.223(11) Uiso 1 1 d . . .
H74 H 0.0767 0.1563 -0.1595 0.334 Uiso 1 1 calc R . .
H75 H 0.1860 0.1917 -0.1314 0.334 Uiso 1 1 calc R . .
H76 H 0.1337 0.1522 -0.2195 0.334 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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_3
O1 Co1 O8 111.99(18) .
O1 Co1 N2 119.1(2) .
O8 Co1 N2 125.1(2) .
O1 Co1 O5 87.87(16) .
O8 Co1 O5 78.03(16) .
N2 Co1 O5 84.97(19) .
O1 Co1 N1 89.6(2) .
O8 Co1 N1 107.3(2) .
N2 Co1 N1 92.2(2) .
O5 Co1 N1 174.6(2) .
O7 Co2 O25 112.7(2) .
O7 Co2 N4 128.0(2) .
O25 Co2 N4 119.0(3) .
O7 Co2 O11 92.64(17) .
O25 Co2 O11 93.83(19) .
N4 Co2 O11 89.2(2) .
O7 Co2 N3 85.8(2) .
O25 Co2 N3 90.9(2) .
N4 Co2 N3 88.3(2) .
O11 Co2 N3 175.3(2) .
O13 Co3 N6 124.6(2) .
O13 Co3 O26 111.3(2) .
N6 Co3 O26 123.2(2) .
O13 Co3 O17 95.94(17) .
N6 Co3 O17 89.93(19) .
O26 Co3 O17 94.24(18) .
O13 Co3 N5 87.72(19) .
N6 Co3 N5 87.7(2) .
O26 Co3 N5 84.7(2) .
O17 Co3 N5 176.32(19) .
O19 Co4 O23 94.58(18) .
O19 Co4 N8 126.1(2) .
O23 Co4 N8 89.2(2) .
O19 Co4 O27 112.6(2) .
O23 Co4 O27 92.53(19) .
N8 Co4 O27 120.9(2) .
O19 Co4 N7 89.1(2) .
O23 Co4 N7 176.3(2) .
N8 Co4 N7 88.9(3) .
O27 Co4 N7 85.8(3) .
O24 Co5 O6 121.91(17) .
O24 Co5 O7 113.34(18) .
O6 Co5 O7 103.59(17) .
O24 Co5 O8 98.03(18) .
O6 Co5 O8 132.30(18) .
O7 Co5 O8 80.03(17) .
O24 Co5 O5 90.04(16) .
O6 Co5 O5 78.65(16) .
O7 Co5 O5 148.72(17) .
O8 Co5 O5 76.19(16) .
O14 Co6 O6 110.44(19) .
O14 Co6 O12 128.76(19) .
O6 Co6 O12 115.70(18) .
O14 Co6 O13 80.40(17) .
O6 Co6 O13 110.61(17) .
O12 Co6 O13 102.41(17) .
O14 Co6 O11 83.91(17) .
O6 Co6 O11 86.40(16) .
O12 Co6 O11 78.05(16) .
O13 Co6 O11 160.04(16) .
O20 Co7 O18 134.8(2) .
O20 Co7 O12 109.51(19) .
O18 Co7 O12 113.34(17) .
O20 Co7 O17 87.03(17) .
O18 Co7 O17 79.09(16) .
O12 Co7 O17 90.21(16) .
O20 Co7 O19 77.62(18) .
O18 Co7 O19 96.27(17) .
O12 Co7 O19 115.39(19) .
O17 Co7 O19 153.29(18) .
O24 Co8 O18 110.65(17) .
O24 Co8 O2 139.24(17) .
O18 Co8 O2 108.53(17) .
O24 Co8 O1 88.18(16) .
O18 Co8 O1 125.06(17) .
O2 Co8 O1 78.35(16) .
O24 Co8 O23 77.67(17) .
O18 Co8 O23 90.71(17) .
O2 Co8 O23 91.15(17) .
O1 Co8 O23 144.24(16) .
C2 C1 C6 118.6(6) .
C2 C1 C7 124.6(6) .
C6 C1 C7 116.7(6) .
O1 C2 C1 124.5(6) .
O1 C2 C3 115.8(5) .
C1 C2 C3 119.7(6) .
O2 C3 C4 123.0(6) .
O2 C3 C2 117.6(5) .
C4 C3 C2 119.4(6) .
C5 C4 C3 120.8(6) .
C5 C4 H1 119.6 .
C3 C4 H1 119.6 .
C6 C5 C4 120.3(6) .
C6 C5 H2 119.8 .
C4 C5 H2 119.8 .
C5 C6 C1 121.1(6) .
C5 C6 H3 119.5 .
C1 C6 H3 119.5 .
C2 O1 Co1 128.7(4) .
C2 O1 Co8 110.1(3) .
Co1 O1 Co8 120.95(19) .
C3 O2 Co8 115.6(4) .
N1 C7 C1 125.0(6) .
N1 C7 H4 117.5 .
C1 C7 H4 117.5 .
C7 N1 O3 109.8(5) .
C7 N1 Co1 127.1(5) .
O3 N1 Co1 123.0(4) .
N1 O3 C8 110.3(5) .
O3 C8 C9 114.7(7) .
O3 C8 H5 108.6 .
C9 C8 H5 108.6 .
O3 C8 H6 108.6 .
C9 C8 H6 108.6 .
H5 C8 H6 107.6 .
O4 C9 C8 115.8(6) .
O4 C9 H7 108.3 .
C8 C9 H7 108.3 .
O4 C9 H8 108.3 .
C8 C9 H8 108.3 .
H7 C9 H8 107.4 .
C9 O4 N2 109.9(5) .
C10 N2 O4 111.5(5) .
C10 N2 Co1 131.1(5) .
O4 N2 Co1 117.2(4) .
N2 C10 C11 123.8(6) .
N2 C10 H9 118.1 .
C11 C10 H9 118.1 .
C12 C11 C16 119.7(6) .
C12 C11 C10 121.4(6) .
C16 C11 C10 118.6(6) .
O5 C12 C11 124.5(6) .
O5 C12 C13 117.4(5) .
C11 C12 C13 118.0(6) .
O6 C13 C14 123.7(6) .
O6 C13 C12 115.1(5) .
C14 C13 C12 121.1(6) .
C13 C14 C15 119.7(6) .
C13 C14 H10 120.2 .
C15 C14 H10 120.2 .
C16 C15 C14 120.3(6) .
C16 C15 H11 119.9 .
C14 C15 H11 119.9 .
C15 C16 C11 120.7(6) .
C15 C16 H12 119.6 .
C11 C16 H12 119.6 .
C12 O5 Co1 126.3(4) .
C12 O5 Co5 108.6(4) .
Co1 O5 Co5 98.06(17) .
C13 O6 Co6 125.0(4) .
C13 O6 Co5 111.0(3) .
Co6 O6 Co5 116.3(2) .
C18 C17 C22 119.4(6) .
C18 C17 C23 123.6(6) .
C22 C17 C23 117.0(6) .
O7 C18 C17 123.5(6) .
O7 C18 C19 117.2(5) .
C17 C18 C19 119.3(6) .
O8 C19 C20 123.8(6) .
O8 C19 C18 116.8(5) .
C20 C19 C18 119.4(6) .
C21 C20 C19 121.3(6) .
C21 C20 H13 119.3 .
C19 C20 H13 119.3 .
C22 C21 C20 119.7(6) .
C22 C21 H14 120.2 .
C20 C21 H14 120.2 .
C21 C22 C17 120.9(7) .
C21 C22 H15 119.6 .
C17 C22 H15 119.6 .
C18 O7 Co2 132.5(4) .
C18 O7 Co5 113.0(4) .
Co2 O7 Co5 113.6(2) .
C19 O8 Co1 146.8(4) .
C19 O8 Co5 112.8(4) .
Co1 O8 Co5 100.20(18) .
N3 C23 C17 125.9(7) .
N3 C23 H16 117.0 .
C17 C23 H16 117.0 .
C23 N3 O9 108.9(6) .
C23 N3 Co2 126.7(5) .
O9 N3 Co2 124.4(4) .
C24 O9 N3 111.4(6) .
O9 C24 C25 112.5(7) .
O9 C24 H17 109.1 .
C25 C24 H17 109.1 .
O9 C24 H18 109.1 .
C25 C24 H18 109.1 .
H17 C24 H18 107.8 .
O10 C25 C24 114.5(7) .
O10 C25 H19 108.6 .
C24 C25 H19 108.6 .
O10 C25 H20 108.6 .
C24 C25 H20 108.6 .
H19 C25 H20 107.6 .
N4 O10 C25 110.6(6) .
C26 N4 O10 110.7(6) .
C26 N4 Co2 128.2(5) .
O10 N4 Co2 120.1(5) .
N4 C26 C27 126.9(6) .
N4 C26 H21 116.6 .
C27 C26 H21 116.6 .
C32 C27 C28 120.3(7) .
C32 C27 C26 116.6(6) .
C28 C27 C26 123.1(6) .
O11 C28 C27 125.2(6) .
O11 C28 C29 117.7(5) .
C27 C28 C29 117.0(6) .
O12 C29 C30 120.7(6) .
O12 C29 C28 117.8(5) .
C30 C29 C28 121.4(6) .
C29 C30 C31 119.6(7) .
C29 C30 H22 120.2 .
C31 C30 H22 120.2 .
C32 C31 C30 120.9(7) .
C32 C31 H23 119.6 .
C30 C31 H23 119.6 .
C31 C32 C27 120.8(6) .
C31 C32 H24 119.6 .
C27 C32 H24 119.6 .
C28 O11 Co2 127.1(4) .
C28 O11 Co6 104.9(4) .
Co2 O11 Co6 123.8(2) .
C29 O12 Co7 121.3(4) .
C29 O12 Co6 111.6(4) .
Co7 O12 Co6 124.9(2) .
C34 C33 C38 119.3(7) .
C34 C33 C39 125.0(6) .
C38 C33 C39 115.7(6) .
O13 C34 C33 125.2(6) .
O13 C34 C35 116.1(5) .
C33 C34 C35 118.8(6) .
O14 C35 C36 122.5(7) .
O14 C35 C34 117.7(6) .
C36 C35 C34 119.8(6) .
C35 C36 C37 121.4(8) .
C35 C36 H25 119.3 .
C37 C36 H25 119.3 .
C38 C37 C36 119.3(8) .
C38 C37 H26 120.4 .
C36 C37 H26 120.4 .
C37 C38 C33 121.4(7) .
C37 C38 H27 119.3 .
C33 C38 H27 119.3 .
C34 O13 Co3 130.4(4) .
C34 O13 Co6 110.2(4) .
Co3 O13 Co6 119.4(2) .
C35 O14 Co6 115.6(4) .
N5 C39 C33 125.1(6) .
N5 C39 H28 117.4 .
C33 C39 H28 117.4 .
C39 N5 O15 109.4(5) .
C39 N5 Co3 126.5(5) .
O15 N5 Co3 123.9(4) .
C40 O15 N5 111.6(5) .
O15 C40 C41 113.2(6) .
O15 C40 H29 108.9 .
C41 C40 H29 108.9 .
O15 C40 H30 108.9 .
C41 C40 H30 108.9 .
H29 C40 H30 107.8 .
O16 C41 C40 113.2(6) .
O16 C41 H31 108.9 .
C40 C41 H31 108.9 .
O16 C41 H32 108.9 .
C40 C41 H32 108.9 .
H31 C41 H32 107.8 .
C41 O16 N6 110.2(5) .
C42 N6 O16 110.8(5) .
C42 N6 Co3 128.6(4) .
O16 N6 Co3 120.5(4) .
N6 C42 C43 125.4(6) .
N6 C42 H33 117.3 .
C43 C42 H33 117.3 .
C44 C43 C48 120.5(6) .
C44 C43 C42 124.1(6) .
C48 C43 C42 115.4(6) .
O17 C44 C43 125.5(5) .
O17 C44 C45 117.3(5) .
C43 C44 C45 117.2(6) .
O18 C45 C46 121.2(5) .
O18 C45 C44 117.8(5) .
C46 C45 C44 121.0(6) .
C45 C46 C47 121.3(6) .
C45 C46 H34 119.3 .
C47 C46 H34 119.3 .
C48 C47 C46 118.7(6) .
C48 C47 H35 120.7 .
C46 C47 H35 120.7 .
C47 C48 C43 121.3(6) .
C47 C48 H36 119.4 .
C43 C48 H36 119.4 .
C44 O17 Co3 126.3(4) .
C44 O17 Co7 107.7(3) .
Co3 O17 Co7 124.0(2) .
C45 O18 Co8 116.7(4) .
C45 O18 Co7 113.3(3) .
Co8 O18 Co7 125.1(2) .
C50 C49 C54 119.5(7) .
C50 C49 C55 124.1(7) .
C54 C49 C55 116.3(7) .
O19 C50 C49 125.5(7) .
O19 C50 C51 116.6(6) .
C49 C50 C51 117.8(7) .
O20 C51 C52 121.3(6) .
O20 C51 C50 116.6(6) .
C52 C51 C50 122.1(6) .
C51 C52 C53 120.1(7) .
C51 C52 H37 120.0 .
C53 C52 H37 120.0 .
C54 C53 C52 119.0(7) .
C54 C53 H38 120.5 .
C52 C53 H38 120.5 .
C53 C54 C49 121.5(7) .
C53 C54 H39 119.3 .
C49 C54 H39 119.3 .
C50 O19 Co4 128.9(4) .
C50 O19 Co7 108.4(4) .
Co4 O19 Co7 121.9(2) .
C51 O20 Co7 117.9(4) .
N7 C55 C49 126.3(7) .
N7 C55 H40 116.9 .
C49 C55 H40 116.9 .
C55 N7 O21 108.7(6) .
C55 N7 Co4 125.4(6) .
O21 N7 Co4 125.6(5) .
C56 O21 N7 112.6(6) .
O21 C56 C57 114.1(8) .
O21 C56 H41 108.7 .
C57 C56 H41 108.7 .
O21 C56 H42 108.7 .
C57 C56 H42 108.7 .
H41 C56 H42 107.6 .
O22 C57 C56 112.8(8) .
O22 C57 H43 109.0 .
C56 C57 H43 109.0 .
O22 C57 H44 109.0 .
C56 C57 H44 109.0 .
H43 C57 H44 107.8 .
C57 O22 N8 110.5(5) .
C58 N8 O22 111.3(7) .
C58 N8 Co4 128.1(5) .
O22 N8 Co4 120.4(6) .
N8 C58 C59 126.3(7) .
N8 C58 H45 116.8 .
C59 C58 H45 116.8 .
C64 C59 C60 120.6(7) .
C64 C59 C58 116.3(7) .
C60 C59 C58 122.9(7) .
O23 C60 C59 125.5(6) .
O23 C60 C61 118.1(5) .
C59 C60 C61 116.4(6) .
C62 C61 O24 123.4(6) .
C62 C61 C60 121.6(6) .
O24 C61 C60 115.1(6) .
C61 C62 C63 121.9(7) .
C61 C62 H46 119.1 .
C63 C62 H46 119.1 .
C64 C63 C62 118.3(7) .
C64 C63 H47 120.9 .
C62 C63 H47 120.9 .
C63 C64 C59 121.3(6) .
C63 C64 H48 119.4 .
C59 C64 H48 119.4 .
C60 O23 Co4 127.5(4) .
C60 O23 Co8 106.1(4) .
Co4 O23 Co8 124.0(2) .
C61 O24 Co5 125.7(4) .
C61 O24 Co8 112.0(4) .
Co5 O24 Co8 121.9(2) .
C65 O25 Co2 121.7(13) .
C65 O25 H49 34(6) .
Co2 O25 H49 140(7) .
C65 O25 H50 106(6) .
Co2 O25 H50 110(6) .
H49 O25 H50 109(9) .
Co3 O26 H51 120(4) .
Co3 O26 H52 114(5) .
H51 O26 H52 110(6) .
Co4 O27 H53 128(6) .
Co4 O27 H54 118(5) .
H53 O27 H54 105(7) .
C66 C65 O25 138(3) .
C66 C65 H49 127(8) .
O25 C65 H49 40(3) .
C66 C65 H55 102.5 .
O25 C65 H55 102.5 .
H49 C65 H55 68.7 .
C66 C65 H56 102.5 .
O25 C65 H56 102.5 .
H49 C65 H56 130.8 .
H55 C65 H56 104.9 .
C65 C66 H57 109.5 .
C65 C66 H58 109.5 .
H57 C66 H58 109.5 .
C65 C66 H59 109.5 .
H57 C66 H59 109.5 .
H58 C66 H59 109.5 .
Cl1 C67 Cl3 110.0(18) .
Cl1 C67 Cl2 108.3(17) .
Cl3 C67 Cl2 109.1(17) .
Cl1 C67 H60 109.8 .
Cl3 C67 H60 109.8 .
Cl2 C67 H60 109.8 .
C68 Cl4 Cl4 149(2) 2_566
Cl5 C68 Cl6 106.9(16) .
Cl5 C68 Cl4 111.3(17) .
Cl6 C68 Cl4 104.9(15) .
Cl5 C68 H61 111.1 .
Cl6 C68 H61 111.1 .
Cl4 C68 H61 111.1 .
Cl9 C69 Cl7 114.4(18) .
Cl9 C69 Cl8 112.4(18) .
Cl7 C69 Cl8 111.4(17) .
Cl9 C69 H62 106.0 .
Cl7 C69 H62 106.0 .
Cl8 C69 H62 106.0 .
C71 C70 H63 109.5 .
C71 C70 H64 109.5 .
H63 C70 H64 109.5 .
C71 C70 H65 109.5 .
H63 C70 H65 109.5 .
H64 C70 H65 109.5 .
C70 C71 C72 104(2) .
C70 C71 H66 110.9 .
C72 C71 H66 110.9 .
C70 C71 H67 110.9 .
C72 C71 H67 110.9 .
H66 C71 H67 109.0 .
C73 C72 C71 97(3) .
C73 C72 H68 112.3 .
C71 C72 H68 112.3 .
C73 C72 H69 112.3 .
C71 C72 H69 112.3 .
H68 C72 H69 109.9 .
C72 C73 C74 87(3) .
C72 C73 H70 114.2 .
C74 C73 H70 114.2 .
C72 C73 H71 114.2 .
C74 C73 H71 114.2 .
H70 C73 H71 111.3 .
C75 C74 C73 127(3) .
C75 C74 H72 105.6 .
C73 C74 H72 105.6 .
C75 C74 H73 105.6 .
C73 C74 H73 105.6 .
H72 C74 H73 106.1 .
C74 C75 H74 109.5 .
C74 C75 H75 109.5 .
H74 C75 H75 109.5 .
C74 C75 H76 109.5 .
H74 C75 H76 109.5 .
H75 C75 H76 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.959(4) .
Co1 O8 2.012(4) .
Co1 N2 2.038(5) .
Co1 O5 2.043(4) .
Co1 N1 2.067(5) .
Co2 O7 1.970(4) .
Co2 O25 1.994(5) .
Co2 N4 2.000(6) .
Co2 O11 2.053(4) .
Co2 N3 2.153(6) .
Co3 O13 1.957(4) .
Co3 N6 1.987(6) .
Co3 O26 2.016(5) .
Co3 O17 2.035(4) .
Co3 N5 2.166(6) .
Co4 O19 1.962(5) .
Co4 O23 2.018(5) .
Co4 N8 2.022(8) .
Co4 O27 2.023(6) .
Co4 N7 2.158(6) .
Co5 O24 1.968(4) .
Co5 O6 2.025(4) .
Co5 O7 2.043(4) .
Co5 O8 2.052(4) .
Co5 O5 2.085(4) .
Co6 O14 1.946(4) .
Co6 O6 1.954(4) .
Co6 O12 1.989(4) .
Co6 O13 2.127(4) .
Co6 O11 2.256(4) .
Co7 O20 1.945(4) .
Co7 O18 1.977(4) .
Co7 O12 1.982(4) .
Co7 O17 2.202(4) .
Co7 O19 2.230(5) .
Co8 O24 1.975(4) .
Co8 O18 1.976(4) .
Co8 O2 1.977(4) .
Co8 O1 2.163(4) .
Co8 O23 2.193(4) .
C1 C2 1.402(9) .
C1 C6 1.426(9) .
C1 C7 1.439(9) .
C2 O1 1.337(7) .
C2 C3 1.416(9) .
C3 O2 1.338(7) .
C3 C4 1.393(9) .
C4 C5 1.388(10) .
C4 H1 0.9500 .
C5 C6 1.359(10) .
C5 H2 0.9500 .
C6 H3 0.9500 .
C7 N1 1.279(9) .
C7 H4 0.9500 .
N1 O3 1.431(7) .
O3 C8 1.432(9) .
C8 C9 1.498(11) .
C8 H5 0.9900 .
C8 H6 0.9900 .
C9 O4 1.432(9) .
C9 H7 0.9900 .
C9 H8 0.9900 .
O4 N2 1.433(7) .
N2 C10 1.288(8) .
C10 C11 1.444(9) .
C10 H9 0.9500 .
C11 C12 1.403(9) .
C11 C16 1.412(9) .
C12 O5 1.311(7) .
C12 C13 1.416(9) .
C13 O6 1.366(7) .
C13 C14 1.375(9) .
C14 C15 1.408(9) .
C14 H10 0.9500 .
C15 C16 1.358(10) .
C15 H11 0.9500 .
C16 H12 0.9500 .
C17 C18 1.398(9) .
C17 C22 1.409(10) .
C17 C23 1.452(10) .
C18 O7 1.336(7) .
C18 C19 1.417(9) .
C19 O8 1.339(7) .
C19 C20 1.386(9) .
C20 C21 1.382(9) .
C20 H13 0.9500 .
C21 C22 1.374(10) .
C21 H14 0.9500 .
C22 H15 0.9500 .
C23 N3 1.275(9) .
C23 H16 0.9500 .
N3 O9 1.418(7) .
O9 C24 1.409(10) .
C24 C25 1.498(13) .
C24 H17 0.9900 .
C24 H18 0.9900 .
C25 O10 1.455(10) .
C25 H19 0.9900 .
C25 H20 0.9900 .
O10 N4 1.433(7) .
N4 C26 1.281(10) .
C26 C27 1.429(10) .
C26 H21 0.9500 .
C27 C32 1.409(10) .
C27 C28 1.413(9) .
C28 O11 1.321(8) .
C28 C29 1.434(9) .
C29 O12 1.354(8) .
C29 C30 1.377(9) .
C30 C31 1.401(10) .
C30 H22 0.9500 .
C31 C32 1.356(11) .
C31 H23 0.9500 .
C32 H24 0.9500 .
C33 C34 1.395(9) .
C33 C38 1.401(10) .
C33 C39 1.435(10) .
C34 O13 1.342(7) .
C34 C35 1.422(9) .
C35 O14 1.336(8) .
C35 C36 1.375(10) .
C36 C37 1.376(12) .
C36 H25 0.9500 .
C37 C38 1.375(12) .
C37 H26 0.9500 .
C38 H27 0.9500 .
C39 N5 1.269(9) .
C39 H28 0.9500 .
N5 O15 1.424(7) .
O15 C40 1.423(8) .
C40 C41 1.517(11) .
C40 H29 0.9900 .
C40 H30 0.9900 .
C41 O16 1.428(9) .
C41 H31 0.9900 .
C41 H32 0.9900 .
O16 N6 1.437(6) .
N6 C42 1.294(8) .
C42 C43 1.427(9) .
C42 H33 0.9500 .
C43 C44 1.404(9) .
C43 C48 1.404(9) .
C44 O17 1.327(7) .
C44 C45 1.423(8) .
C45 O18 1.362(7) .
C45 C46 1.364(9) .
C46 C47 1.402(9) .
C46 H34 0.9500 .
C47 C48 1.365(9) .
C47 H35 0.9500 .
C48 H36 0.9500 .
C49 C50 1.411(10) .
C49 C54 1.426(11) .
C49 C55 1.448(12) .
C50 O19 1.354(8) .
C50 C51 1.415(10) .
C51 O20 1.350(8) .
C51 C52 1.384(10) .
C52 C53 1.410(11) .
C52 H37 0.9500 .
C53 C54 1.383(11) .
C53 H38 0.9500 .
C54 H39 0.9500 .
C55 N7 1.265(11) .
C55 H40 0.9500 .
N7 O21 1.438(8) .
O21 C56 1.432(11) .
C56 C57 1.500(14) .
C56 H41 0.9900 .
C56 H42 0.9900 .
C57 O22 1.423(10) .
C57 H43 0.9900 .
C57 H44 0.9900 .
O22 N8 1.432(7) .
N8 C58 1.277(11) .
C58 C59 1.424(11) .
C58 H45 0.9500 .
C59 C64 1.406(11) .
C59 C60 1.418(9) .
C60 O23 1.314(8) .
C60 C61 1.421(9) .
C61 C62 1.360(9) .
C61 O24 1.363(7) .
C62 C63 1.397(9) .
C62 H46 0.9500 .
C63 C64 1.374(11) .
C63 H47 0.9500 .
C64 H48 0.9500 .
O25 C65 1.50(3) .
O25 H49 1.01(2) .
O25 H50 0.99(2) .
O26 H51 1.03(2) .
O26 H52 1.00(2) .
O27 H53 0.99(2) .
O27 H54 0.99(2) .
C65 C66 1.14(4) .
C65 H49 0.87(10) .
C65 H55 0.9900 .
C65 H56 0.9900 .
C66 H57 0.9800 .
C66 H58 0.9800 .
C66 H59 0.9800 .
Cl1 C67 1.73(2) .
Cl2 C67 1.78(2) .
Cl3 C67 1.75(2) .
C67 H60 1.0000 .
Cl4 C68 1.76(2) .
Cl4 Cl4 2.13(3) 2_566
Cl5 C68 1.72(2) .
Cl6 C68 1.76(2) .
C68 H61 1.0000 .
Cl7 C69 1.70(2) .
Cl8 C69 1.73(2) .
Cl9 C69 1.68(2) .
C69 H62 1.0000 .
C70 C71 1.44(3) .
C70 H63 0.9800 .
C70 H64 0.9800 .
C70 H65 0.9800 .
C71 C72 1.78(3) .
C71 H66 0.9900 .
C71 H67 0.9900 .
C72 C73 1.46(4) .
C72 H68 0.9900 .
C72 H69 0.9900 .
C73 C74 1.63(4) .
C73 H70 0.9900 .
C73 H71 0.9900 .
C74 C75 1.50(4) .
C74 H72 0.9900 .
C74 H73 0.9900 .
C75 H74 0.9800 .
C75 H75 0.9800 .
C75 H76 0.9800 .
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
C6 C1 C2 O1 -179.3(6) .
C7 C1 C2 O1 -3.5(10) .
C6 C1 C2 C3 2.4(9) .
C7 C1 C2 C3 178.2(6) .
O1 C2 C3 O2 -3.1(8) .
C1 C2 C3 O2 175.4(5) .
O1 C2 C3 C4 178.5(5) .
C1 C2 C3 C4 -3.0(9) .
O2 C3 C4 C5 -176.9(6) .
C2 C3 C4 C5 1.3(9) .
C3 C4 C5 C6 1.0(10) .
C4 C5 C6 C1 -1.6(11) .
C2 C1 C6 C5 -0.1(10) .
C7 C1 C6 C5 -176.2(6) .
C1 C2 O1 Co1 9.4(8) .
C3 C2 O1 Co1 -172.2(4) .
C1 C2 O1 Co8 -165.4(5) .
C3 C2 O1 Co8 13.0(6) .
O8 Co1 O1 C2 -117.4(5) .
N2 Co1 O1 C2 83.4(5) .
O5 Co1 O1 C2 166.5(5) .
N1 Co1 O1 C2 -8.8(5) .
O8 Co1 O1 Co8 56.9(3) .
N2 Co1 O1 Co8 -102.4(3) .
O5 Co1 O1 Co8 -19.3(2) .
N1 Co1 O1 Co8 165.4(3) .
O24 Co8 O1 C2 127.3(4) .
O18 Co8 O1 C2 -118.5(4) .
O2 Co8 O1 C2 -14.0(4) .
O23 Co8 O1 C2 61.5(5) .
O24 Co8 O1 Co1 -47.9(2) .
O18 Co8 O1 Co1 66.3(3) .
O2 Co8 O1 Co1 170.8(3) .
O23 Co8 O1 Co1 -113.7(3) .
C4 C3 O2 Co8 168.3(5) .
C2 C3 O2 Co8 -10.0(7) .
O24 Co8 O2 C3 -60.5(5) .
O18 Co8 O2 C3 136.1(4) .
O1 Co8 O2 C3 12.7(4) .
O23 Co8 O2 C3 -132.8(4) .
C2 C1 C7 N1 0.2(11) .
C6 C1 C7 N1 176.1(7) .
C1 C7 N1 O3 -178.5(6) .
C1 C7 N1 Co1 -2.7(10) .
O1 Co1 N1 C7 5.6(6) .
O8 Co1 N1 C7 118.5(6) .
N2 Co1 N1 C7 -113.5(6) .
O5 Co1 N1 C7 -56(2) .
O1 Co1 N1 O3 -179.0(5) .
O8 Co1 N1 O3 -66.1(5) .
N2 Co1 N1 O3 61.8(5) .
O5 Co1 N1 O3 120(2) .
C7 N1 O3 C8 153.7(6) .
Co1 N1 O3 C8 -22.4(7) .
N1 O3 C8 C9 -73.9(7) .
O3 C8 C9 O4 60.9(9) .
C8 C9 O4 N2 52.9(8) .
C9 O4 N2 C10 102.4(7) .
C9 O4 N2 Co1 -82.3(6) .
O1 Co1 N2 C10 91.9(7) .
O8 Co1 N2 C10 -64.4(7) .
O5 Co1 N2 C10 7.2(6) .
N1 Co1 N2 C10 -177.4(6) .
O1 Co1 N2 O4 -82.3(4) .
O8 Co1 N2 O4 121.4(4) .
O5 Co1 N2 O4 -167.1(4) .
N1 Co1 N2 O4 8.4(4) .
O4 N2 C10 C11 -176.9(6) .
Co1 N2 C10 C11 8.6(11) .
N2 C10 C11 C12 -10.6(10) .
N2 C10 C11 C16 163.1(7) .
C16 C11 C12 O5 174.3(6) .
C10 C11 C12 O5 -12.1(10) .
C16 C11 C12 C13 -8.5(9) .
C10 C11 C12 C13 165.1(6) .
O5 C12 C13 O6 8.1(8) .
C11 C12 C13 O6 -169.3(5) .
O5 C12 C13 C14 -175.4(6) .
C11 C12 C13 C14 7.1(9) .
O6 C13 C14 C15 174.4(6) .
C12 C13 C14 C15 -1.8(10) .
C13 C14 C15 C16 -2.4(10) .
C14 C15 C16 C11 1.0(11) .
C12 C11 C16 C15 4.6(10) .
C10 C11 C16 C15 -169.2(6) .
C11 C12 O5 Co1 35.0(8) .
C13 C12 O5 Co1 -142.2(4) .
C11 C12 O5 Co5 150.5(5) .
C13 C12 O5 Co5 -26.8(6) .
O1 Co1 O5 C12 -147.4(5) .
O8 Co1 O5 C12 99.6(5) .
N2 Co1 O5 C12 -28.0(5) .
N1 Co1 O5 C12 -86(2) .
O1 Co1 O5 Co5 92.40(18) .
O8 Co1 O5 Co5 -20.61(17) .
N2 Co1 O5 Co5 -148.1(2) .
N1 Co1 O5 Co5 154(2) .
O24 Co5 O5 C12 149.4(4) .
O6 Co5 O5 C12 26.8(4) .
O7 Co5 O5 C12 -70.7(5) .
O8 Co5 O5 C12 -112.3(4) .
O24 Co5 O5 Co1 -77.92(18) .
O6 Co5 O5 Co1 159.47(19) .
O7 Co5 O5 Co1 61.9(4) .
O8 Co5 O5 Co1 20.35(17) .
C14 C13 O6 Co6 51.6(7) .
C12 C13 O6 Co6 -132.1(5) .
C14 C13 O6 Co5 -160.4(5) .
C12 C13 O6 Co5 16.0(6) .
O14 Co6 O6 C13 -104.3(4) .
O12 Co6 O6 C13 98.7(4) .
O13 Co6 O6 C13 -17.2(5) .
O11 Co6 O6 C13 173.6(4) .
O14 Co6 O6 Co5 109.2(2) .
O12 Co6 O6 Co5 -47.9(3) .
O13 Co6 O6 Co5 -163.70(19) .
O11 Co6 O6 Co5 27.0(2) .
O24 Co5 O6 C13 -105.7(4) .
O7 Co5 O6 C13 125.2(4) .
O8 Co5 O6 C13 36.4(5) .
O5 Co5 O6 C13 -22.9(4) .
O24 Co5 O6 Co6 45.3(3) .
O7 Co5 O6 Co6 -83.8(2) .
O8 Co5 O6 Co6 -172.60(19) .
O5 Co5 O6 Co6 128.2(2) .
C22 C17 C18 O7 179.4(6) .
C23 C17 C18 O7 -2.9(10) .
C22 C17 C18 C19 -1.5(9) .
C23 C17 C18 C19 176.2(6) .
O7 C18 C19 O8 2.4(8) .
C17 C18 C19 O8 -176.8(6) .
O7 C18 C19 C20 -178.4(6) .
C17 C18 C19 C20 2.5(9) .
O8 C19 C20 C21 178.2(6) .
C18 C19 C20 C21 -1.0(10) .
C19 C20 C21 C22 -1.5(10) .
C20 C21 C22 C17 2.5(11) .
C18 C17 C22 C21 -1.0(11) .
C23 C17 C22 C21 -178.8(7) .
C17 C18 O7 Co2 -11.2(9) .
C19 C18 O7 Co2 169.7(4) .
C17 C18 O7 Co5 -179.7(5) .
C19 C18 O7 Co5 1.1(7) .
O25 Co2 O7 C18 104.5(5) .
N4 Co2 O7 C18 -69.2(6) .
O11 Co2 O7 C18 -160.2(5) .
N3 Co2 O7 C18 15.4(5) .
O25 Co2 O7 Co5 -87.0(3) .
N4 Co2 O7 Co5 99.3(3) .
O11 Co2 O7 Co5 8.3(2) .
N3 Co2 O7 Co5 -176.1(3) .
O24 Co5 O7 C18 91.8(4) .
O6 Co5 O7 C18 -134.1(4) .
O8 Co5 O7 C18 -2.7(4) .
O5 Co5 O7 C18 -43.6(6) .
O24 Co5 O7 Co2 -79.0(3) .
O6 Co5 O7 Co2 55.1(3) .
O8 Co5 O7 Co2 -173.5(3) .
O5 Co5 O7 Co2 145.6(2) .
C20 C19 O8 Co1 3.9(11) .
C18 C19 O8 Co1 -176.9(5) .
C20 C19 O8 Co5 176.2(5) .
C18 C19 O8 Co5 -4.6(7) .
O1 Co1 O8 C19 111.1(7) .
N2 Co1 O8 C19 -91.2(8) .
O5 Co1 O8 C19 -166.2(8) .
N1 Co1 O8 C19 14.4(8) .
O1 Co1 O8 Co5 -61.6(2) .
N2 Co1 O8 Co5 96.1(3) .
O5 Co1 O8 Co5 21.10(17) .
N1 Co1 O8 Co5 -158.4(2) .
O24 Co5 O8 C19 -108.4(4) .
O6 Co5 O8 C19 103.3(4) .
O7 Co5 O8 C19 4.0(4) .
O5 Co5 O8 C19 163.5(4) .
O24 Co5 O8 Co1 67.2(2) .
O6 Co5 O8 Co1 -81.0(3) .
O7 Co5 O8 Co1 179.7(2) .
O5 Co5 O8 Co1 -20.81(17) .
C18 C17 C23 N3 5.3(12) .
C22 C17 C23 N3 -177.0(7) .
C17 C23 N3 O9 -176.6(7) .
C17 C23 N3 Co2 5.1(11) .
O7 Co2 N3 C23 -12.0(6) .
O25 Co2 N3 C23 -124.7(7) .
N4 Co2 N3 C23 116.3(7) .
O11 Co2 N3 C23 58(3) .
O7 Co2 N3 O9 169.9(5) .
O25 Co2 N3 O9 57.3(5) .
N4 Co2 N3 O9 -61.7(5) .
O11 Co2 N3 O9 -120(2) .
C23 N3 O9 C24 -163.0(7) .
Co2 N3 O9 C24 15.4(8) .
N3 O9 C24 C25 77.3(8) .
O9 C24 C25 O10 -54.4(10) .
C24 C25 O10 N4 -59.0(9) .
C25 O10 N4 C26 -109.4(7) .
C25 O10 N4 Co2 81.1(7) .
O7 Co2 N4 C26 -87.3(6) .
O25 Co2 N4 C26 99.4(6) .
O11 Co2 N4 C26 5.4(6) .
N3 Co2 N4 C26 -170.6(6) .
O7 Co2 N4 O10 80.2(5) .
O25 Co2 N4 O10 -93.1(5) .
O11 Co2 N4 O10 172.9(4) .
N3 Co2 N4 O10 -3.1(5) .
O10 N4 C26 C27 -176.7(6) .
Co2 N4 C26 C27 -8.2(10) .
N4 C26 C27 C32 -174.4(7) .
N4 C26 C27 C28 5.1(11) .
C32 C27 C28 O11 179.2(6) .
C26 C27 C28 O11 -0.3(10) .
C32 C27 C28 C29 0.7(9) .
C26 C27 C28 C29 -178.8(6) .
O11 C28 C29 O12 0.5(8) .
C27 C28 C29 O12 179.1(5) .
O11 C28 C29 C30 -177.9(6) .
C27 C28 C29 C30 0.7(9) .
O12 C29 C30 C31 -179.5(6) .
C28 C29 C30 C31 -1.1(10) .
C29 C30 C31 C32 0.2(11) .
C30 C31 C32 C27 1.2(11) .
C28 C27 C32 C31 -1.7(10) .
C26 C27 C32 C31 177.9(6) .
C27 C28 O11 Co2 -0.8(8) .
C29 C28 O11 Co2 177.7(4) .
C27 C28 O11 Co6 -158.1(5) .
C29 C28 O11 Co6 20.4(6) .
O7 Co2 O11 C28 126.9(5) .
O25 Co2 O11 C28 -120.1(5) .
N4 Co2 O11 C28 -1.1(5) .
N3 Co2 O11 C28 57(3) .
O7 Co2 O11 Co6 -79.7(2) .
O25 Co2 O11 Co6 33.2(3) .
N4 Co2 O11 Co6 152.2(3) .
N3 Co2 O11 Co6 -150(2) .
O14 Co6 O11 C28 106.2(4) .
O6 Co6 O11 C28 -142.8(4) .
O12 Co6 O11 C28 -25.6(4) .
O13 Co6 O11 C28 67.9(6) .
O14 Co6 O11 Co2 -52.1(2) .
O6 Co6 O11 Co2 58.9(2) .
O12 Co6 O11 Co2 176.2(3) .
O13 Co6 O11 Co2 -90.4(5) .
C30 C29 O12 Co7 -42.9(7) .
C28 C29 O12 Co7 138.7(5) .
C30 C29 O12 Co6 153.4(5) .
C28 C29 O12 Co6 -25.0(6) .
O20 Co7 O12 C29 96.4(4) .
O18 Co7 O12 C29 -98.5(4) .
O17 Co7 O12 C29 -176.7(4) .
O19 Co7 O12 C29 11.2(5) .
O20 Co7 O12 Co6 -102.2(3) .
O18 Co7 O12 Co6 62.9(3) .
O17 Co7 O12 Co6 -15.3(3) .
O19 Co7 O12 Co6 172.6(2) .
O14 Co6 O12 C29 -45.4(4) .
O6 Co6 O12 C29 106.6(4) .
O13 Co6 O12 C29 -133.0(4) .
O11 Co6 O12 C29 26.6(4) .
O14 Co6 O12 Co7 151.6(2) .
O6 Co6 O12 Co7 -56.4(3) .
O13 Co6 O12 Co7 64.0(3) .
O11 Co6 O12 Co7 -136.4(3) .
C38 C33 C34 O13 -178.4(9) .
C39 C33 C34 O13 2.4(13) .
C38 C33 C34 C35 0.9(13) .
C39 C33 C34 C35 -178.3(8) .
O13 C34 C35 O14 -3.4(10) .
C33 C34 C35 O14 177.2(7) .
O13 C34 C35 C36 176.8(8) .
C33 C34 C35 C36 -2.6(13) .
O14 C35 C36 C37 -177.3(11) .
C34 C35 C36 C37 2.5(17) .
C35 C36 C37 C38 -1(2) .
C36 C37 C38 C33 -1(2) .
C34 C33 C38 C37 0.9(18) .
C39 C33 C38 C37 -179.8(12) .
C33 C34 O13 Co3 0.5(11) .
C35 C34 O13 Co3 -178.8(5) .
C33 C34 O13 Co6 -179.3(7) .
C35 C34 O13 Co6 1.4(8) .
N6 Co3 O13 C34 84.1(6) .
O26 Co3 O13 C34 -84.9(6) .
O17 Co3 O13 C34 178.2(5) .
N5 Co3 O13 C34 -1.5(6) .
N6 Co3 O13 Co6 -96.1(3) .
O26 Co3 O13 Co6 94.9(3) .
O17 Co3 O13 Co6 -2.0(3) .
N5 Co3 O13 Co6 178.3(3) .
O14 Co6 O13 C34 0.4(4) .
O6 Co6 O13 C34 -108.0(4) .
O12 Co6 O13 C34 128.2(4) .
O11 Co6 O13 C34 39.0(7) .
O14 Co6 O13 Co3 -179.4(3) .
O6 Co6 O13 Co3 72.2(3) .
O12 Co6 O13 Co3 -51.6(3) .
O11 Co6 O13 Co3 -140.8(4) .
C36 C35 O14 Co6 -176.5(8) .
C34 C35 O14 Co6 3.7(9) .
O6 Co6 O14 C35 106.3(5) .
O12 Co6 O14 C35 -100.5(5) .
O13 Co6 O14 C35 -2.2(5) .
O11 Co6 O14 C35 -169.8(5) .
C34 C33 C39 N5 -3.8(14) .
C38 C33 C39 N5 177.0(9) .
C33 C39 N5 O15 177.4(7) .
C33 C39 N5 Co3 2.2(12) .
O13 Co3 N5 C39 0.1(7) .
N6 Co3 N5 C39 -124.7(7) .
O26 Co3 N5 C39 111.7(7) .
O17 Co3 N5 C39 -174(3) .
O13 Co3 N5 O15 -174.4(5) .
N6 Co3 N5 O15 60.9(5) .
O26 Co3 N5 O15 -62.7(5) .
O17 Co3 N5 O15 11(4) .
C39 N5 O15 C40 163.8(7) .
Co3 N5 O15 C40 -20.9(8) .
N5 O15 C40 C41 -74.0(7) .
O15 C40 C41 O16 57.7(7) .
C40 C41 O16 N6 55.6(7) .
C41 O16 N6 C42 95.3(7) .
C41 O16 N6 Co3 -87.5(6) .
O13 Co3 N6 C42 100.6(6) .
O26 Co3 N6 C42 -91.6(6) .
O17 Co3 N6 C42 3.5(6) .
N5 Co3 N6 C42 -173.7(6) .
O13 Co3 N6 O16 -76.0(5) .
O26 Co3 N6 O16 91.8(5) .
O17 Co3 N6 O16 -173.2(4) .
N5 Co3 N6 O16 9.6(4) .
O16 N6 C42 C43 175.2(6) .
Co3 N6 C42 C43 -1.7(10) .
N6 C42 C43 C44 -2.6(11) .
N6 C42 C43 C48 -179.5(6) .
C48 C43 C44 O17 -179.6(6) .
C42 C43 C44 O17 3.6(10) .
C48 C43 C44 C45 -0.3(9) .
C42 C43 C44 C45 -177.1(6) .
O17 C44 C45 O18 0.6(8) .
C43 C44 C45 O18 -178.7(5) .
O17 C44 C45 C46 -178.7(5) .
C43 C44 C45 C46 1.9(9) .
O18 C45 C46 C47 179.2(6) .
C44 C45 C46 C47 -1.4(9) .
C45 C46 C47 C48 -0.8(10) .
C46 C47 C48 C43 2.4(10) .
C44 C43 C48 C47 -1.9(10) .
C42 C43 C48 C47 175.2(6) .
C43 C44 O17 Co3 -0.4(9) .
C45 C44 O17 Co3 -179.7(4) .
C43 C44 O17 Co7 164.1(5) .
C45 C44 O17 Co7 -15.3(6) .
O13 Co3 O17 C44 -127.2(5) .
N6 Co3 O17 C44 -2.4(5) .
O26 Co3 O17 C44 120.8(5) .
N5 Co3 O17 C44 47(3) .
O13 Co3 O17 Co7 70.7(3) .
N6 Co3 O17 Co7 -164.5(3) .
O26 Co3 O17 Co7 -41.2(3) .
N5 Co3 O17 Co7 -115(3) .
O20 Co7 O17 C44 -118.3(4) .
O18 Co7 O17 C44 18.4(4) .
O12 Co7 O17 C44 132.2(4) .
O19 Co7 O17 C44 -63.8(5) .
O20 Co7 O17 Co3 46.6(3) .
O18 Co7 O17 Co3 -176.7(3) .
O12 Co7 O17 Co3 -62.9(2) .
O19 Co7 O17 Co3 101.1(4) .
C46 C45 O18 Co8 39.6(7) .
C44 C45 O18 Co8 -139.8(4) .
C46 C45 O18 Co7 -164.0(5) .
C44 C45 O18 Co7 16.7(6) .
O24 Co8 O18 C45 102.8(4) .
O2 Co8 O18 C45 -88.6(4) .
O1 Co8 O18 C45 -0.1(5) .
O23 Co8 O18 C45 179.9(4) .
O24 Co8 O18 Co7 -50.5(3) .
O2 Co8 O18 Co7 118.0(2) .
O1 Co8 O18 Co7 -153.4(2) .
O23 Co8 O18 Co7 26.5(3) .
O20 Co7 O18 C45 56.1(5) .
O12 Co7 O18 C45 -104.0(4) .
O17 Co7 O18 C45 -18.5(4) .
O19 Co7 O18 C45 134.9(4) .
O20 Co7 O18 Co8 -149.8(2) .
O12 Co7 O18 Co8 50.2(3) .
O17 Co7 O18 Co8 135.6(3) .
O19 Co7 O18 Co8 -71.0(3) .
C54 C49 C50 O19 -177.4(7) .
C55 C49 C50 O19 5.9(14) .
C54 C49 C50 C51 2.9(12) .
C55 C49 C50 C51 -173.9(8) .
O19 C50 C51 O20 -0.9(10) .
C49 C50 C51 O20 178.9(7) .
O19 C50 C51 C52 178.2(7) .
C49 C50 C51 C52 -2.0(11) .
O20 C51 C52 C53 179.0(6) .
C50 C51 C52 C53 -0.1(11) .
C51 C52 C53 C54 1.2(11) .
C52 C53 C54 C49 -0.2(12) .
C50 C49 C54 C53 -1.8(13) .
C55 C49 C54 C53 175.2(8) .
C49 C50 O19 Co4 0.4(12) .
C51 C50 O19 Co4 -179.8(5) .
C49 C50 O19 Co7 169.9(7) .
C51 C50 O19 Co7 -10.3(8) .
O23 Co4 O19 C50 174.0(6) .
N8 Co4 O19 C50 -93.7(7) .
O27 Co4 O19 C50 79.3(6) .
N7 Co4 O19 C50 -5.8(6) .
O23 Co4 O19 Co7 5.7(3) .
N8 Co4 O19 Co7 98.1(4) .
O27 Co4 O19 Co7 -88.9(3) .
N7 Co4 O19 Co7 -174.0(4) .
O20 Co7 O19 C50 13.4(5) .
O18 Co7 O19 C50 -121.1(5) .
O12 Co7 O19 C50 119.3(5) .
O17 Co7 O19 C50 -43.0(6) .
O20 Co7 O19 Co4 -176.3(3) .
O18 Co7 O19 Co4 49.2(3) .
O12 Co7 O19 Co4 -70.3(3) .
O17 Co7 O19 Co4 127.4(3) .
C52 C51 O20 Co7 -164.9(5) .
C50 C51 O20 Co7 14.3(8) .
O18 Co7 O20 C51 71.6(5) .
O12 Co7 O20 C51 -127.7(5) .
O17 Co7 O20 C51 143.1(5) .
O19 Co7 O20 C51 -14.9(5) .
C50 C49 C55 N7 -2.7(17) .
C54 C49 C55 N7 -179.6(10) .
C49 C55 N7 O21 -179.8(9) .
C49 C55 N7 Co4 -5.6(16) .
O19 Co4 N7 C55 8.3(9) .
O23 Co4 N7 C55 -167(4) .
N8 Co4 N7 C55 134.5(9) .
O27 Co4 N7 C55 -104.5(9) .
O19 Co4 N7 O21 -178.5(8) .
O23 Co4 N7 O21 6(5) .
N8 Co4 N7 O21 -52.3(8) .
O27 Co4 N7 O21 68.8(8) .
C55 N7 O21 C56 -170.9(9) .
Co4 N7 O21 C56 14.9(11) .
N7 O21 C56 C57 77.3(9) .
O21 C56 C57 O22 -58.2(10) .
C56 C57 O22 N8 -54.9(10) .
C57 O22 N8 C58 -95.0(9) .
C57 O22 N8 Co4 90.2(8) .
O19 Co4 N8 C58 -100.0(6) .
O23 Co4 N8 C58 -4.9(6) .
O27 Co4 N8 C58 87.6(7) .
N7 Co4 N8 C58 171.9(7) .
O19 Co4 N8 O22 73.9(5) .
O23 Co4 N8 O22 169.0(5) .
O27 Co4 N8 O22 -98.6(5) .
N7 Co4 N8 O22 -14.2(5) .
O22 N8 C58 C59 -172.1(6) .
Co4 N8 C58 C59 2.3(11) .
N8 C58 C59 C64 -179.9(7) .
N8 C58 C59 C60 5.0(11) .
C64 C59 C60 O23 177.1(6) .
C58 C59 C60 O23 -7.9(10) .
C64 C59 C60 C61 -2.8(9) .
C58 C59 C60 C61 172.2(6) .
O23 C60 C61 C62 -176.9(5) .
C59 C60 C61 C62 3.0(9) .
O23 C60 C61 O24 2.2(8) .
C59 C60 C61 O24 -177.9(5) .
O24 C61 C62 C63 179.7(6) .
C60 C61 C62 C63 -1.2(10) .
C61 C62 C63 C64 -0.9(10) .
C62 C63 C64 C59 1.0(10) .
C60 C59 C64 C63 0.9(10) .
C58 C59 C64 C63 -174.4(7) .
C59 C60 O23 Co4 3.4(9) .
C61 C60 O23 Co4 -176.7(4) .
C59 C60 O23 Co8 -159.4(5) .
C61 C60 O23 Co8 20.4(6) .
O19 Co4 O23 C60 128.4(5) .
N8 Co4 O23 C60 2.2(5) .
O27 Co4 O23 C60 -118.7(5) .
N7 Co4 O23 C60 -56(5) .
O19 Co4 O23 Co8 -71.7(3) .
N8 Co4 O23 Co8 162.1(3) .
O27 Co4 O23 Co8 41.2(3) .
N7 Co4 O23 Co8 104(4) .
O24 Co8 O23 C60 -26.6(4) .
O18 Co8 O23 C60 -137.6(4) .
O2 Co8 O23 C60 113.9(4) .
O1 Co8 O23 C60 42.4(5) .
O24 Co8 O23 Co4 169.9(3) .
O18 Co8 O23 Co4 58.9(2) .
O2 Co8 O23 Co4 -49.7(3) .
O1 Co8 O23 Co4 -121.2(3) .
C62 C61 O24 Co5 -35.6(8) .
C60 C61 O24 Co5 145.3(4) .
C62 C61 O24 Co8 152.0(5) .
C60 C61 O24 Co8 -27.2(6) .
O6 Co5 O24 C61 -108.7(4) .
O7 Co5 O24 C61 16.1(5) .
O8 Co5 O24 C61 98.7(4) .
O5 Co5 O24 C61 174.7(4) .
O6 Co5 O24 Co8 63.1(3) .
O7 Co5 O24 Co8 -172.2(2) .
O8 Co5 O24 Co8 -89.6(2) .
O5 Co5 O24 Co8 -13.6(2) .
O18 Co8 O24 C61 114.7(4) .
O2 Co8 O24 C61 -48.5(5) .
O1 Co8 O24 C61 -118.2(4) .
O23 Co8 O24 C61 28.7(4) .
O18 Co8 O24 Co5 -58.0(3) .
O2 Co8 O24 Co5 138.8(2) .
O1 Co8 O24 Co5 69.0(2) .
O23 Co8 O24 Co5 -144.1(3) .
O7 Co2 O25 C65 -30.9(18) .
N4 Co2 O25 C65 143.5(18) .
O11 Co2 O25 C65 -125.3(18) .
N3 Co2 O25 C65 54.9(18) .
Co2 O25 C65 C66 133(6) .
Cl4 Cl4 C68 Cl5 -138(3) 2_566
Cl4 Cl4 C68 Cl6 107(4) 2_566
C70 C71 C72 C73 -165(3) .
C71 C72 C73 C74 170(2) .
C72 C73 C74 C75 -130(4) .
