#------------------------------------------------------------------------------
#$Date: 2025-08-21 13:21:36 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301847 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/14/7011420.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_7011420
loop_
_publ_author_name
'Yeh, Chen-Yu'
'Chou, Chung-Hsien'
'Pan, Kun-Chih'
'Wang, Chih-Chieh'
'Lee, Gene-Hsiang'
'Su, Y. Oliver'
'Peng, Shie-Ming'
_publ_section_title
;
 Linear pentacobalt complexes: synthesis, structures, and physical
 properties of neutral and one-electron oxidation compounds
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2670
_journal_paper_doi               10.1039/b111462j
_journal_year                    2002
_chemical_formula_sum            'C63 H50 Cl9 Co5 N20 O4'
_chemical_formula_weight         1764.93
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.3899(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.6128(2)
_cell_length_b                   27.9023(5)
_cell_length_c                   15.8641(3)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.46
_cell_volume                     6904.9(2)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'NONIUS COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0844
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            44517
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.589
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3552
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.470
_refine_diff_density_min         -1.158
_refine_diff_density_rms         0.298
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.433(16)
_refine_ls_extinction_coef       0.0070(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1793
_refine_ls_number_reflns         26581
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.1170
_refine_ls_R_factor_gt           0.0786
_refine_ls_shift/su_max          0.039
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1264P)²+6.8335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1921
_refine_ls_wR_factor_ref         0.2241
_reflns_number_gt                19223
_reflns_number_total             26581
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b111462j.txt
_cod_data_source_block           '[Co5(tpda)4Cl2](ClO4)'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      Pn
_cod_database_code               7011420
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y, z+1/2'
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 0.50563(7) 0.31400(4) 1.01105(8) 0.0288(3) Uani 1 1 d . . .
Co2 Co 0.52618(7) 0.39209(4) 0.97016(7) 0.0241(2) Uani 1 1 d . . .
Co3 Co 0.54852(6) 0.46843(4) 0.93193(7) 0.0233(2) Uani 1 1 d . . .
Co4 Co 0.57066(7) 0.54502(4) 0.89563(7) 0.0254(2) Uani 1 1 d . . .
Co5 Co 0.59142(7) 0.62382(5) 0.86297(7) 0.0290(3) Uani 1 1 d . . .
Cl1 Cl 0.48506(16) 0.23159(9) 1.05233(16) 0.0427(6) Uani 1 1 d . . .
Cl2 Cl 0.61052(16) 0.70691(9) 0.82716(17) 0.0427(6) Uani 1 1 d . . .
N1 N 0.6259(5) 0.3044(3) 0.9788(5) 0.0311(17) Uani 1 1 d . . .
N2 N 0.6154(4) 0.3741(3) 0.8983(5) 0.0297(16) Uani 1 1 d . . .
N3 N 0.6065(4) 0.4482(3) 0.8334(4) 0.0268(16) Uani 1 1 d . . .
N4 N 0.5879(4) 0.5257(3) 0.7826(5) 0.0289(16) Uani 1 1 d . . .
N5 N 0.5558(4) 0.6040(3) 0.7459(5) 0.0342(18) Uani 1 1 d . . .
N6 N 0.3877(4) 0.3352(3) 1.0374(4) 0.0288(16) Uani 1 1 d . . .
N7 N 0.4350(4) 0.4126(2) 1.0383(4) 0.0243(15) Uani 1 1 d . . .
N8 N 0.4891(4) 0.4894(3) 1.0305(4) 0.0234(15) Uani 1 1 d . . .
N9 N 0.5537(4) 0.5622(3) 1.0102(4) 0.0264(16) Uani 1 1 d . . .
N10 N 0.6259(5) 0.6335(3) 0.9830(4) 0.0306(17) Uani 1 1 d . . .
N11 N 0.4653(4) 0.3030(3) 0.8928(5) 0.0330(17) Uani 1 1 d . . .
N12 N 0.4438(4) 0.3855(3) 0.8784(5) 0.0282(16) Uani 1 1 d . . .
N13 N 0.4403(4) 0.4680(3) 0.8692(4) 0.0264(16) Uani 1 1 d . . .
N14 N 0.4511(4) 0.5508(3) 0.8709(4) 0.0235(15) Uani 1 1 d . . .
N15 N 0.4688(4) 0.6318(3) 0.8923(5) 0.0302(17) Uani 1 1 d . . .
N16 N 0.5474(4) 0.3353(3) 1.1258(4) 0.0281(16) Uani 1 1 d . . .
N17 N 0.6061(4) 0.4006(2) 1.0606(5) 0.0257(16) Uani 1 1 d . . .
N18 N 0.6554(4) 0.4699(3) 0.9955(5) 0.0272(16) Uani 1 1 d . . .
N19 N 0.6893(4) 0.5371(3) 0.9218(5) 0.0278(16) Uani 1 1 d . . .
N20 N 0.7105(4) 0.6048(3) 0.8416(5) 0.0293(16) Uani 1 1 d . . .
C1 C 0.6747(6) 0.2688(3) 1.0144(6) 0.036(2) Uani 1 1 d . . .
H1A H 0.6493 0.2481 1.0538 0.043 Uiso 1 1 calc R . .
C2 C 0.7593(6) 0.2613(4) 0.9962(7) 0.042(2) Uani 1 1 d . . .
H2A H 0.7902 0.2346 1.0189 0.050 Uiso 1 1 calc R . .
C3 C 0.7965(6) 0.2929(4) 0.9453(7) 0.049(3) Uani 1 1 d . . .
H3A H 0.8556 0.2889 0.9347 0.059 Uiso 1 1 calc R . .
C4 C 0.7535(6) 0.3305(4) 0.9079(7) 0.043(2) Uani 1 1 d . . .
H4A H 0.7815 0.3521 0.8718 0.051 Uiso 1 1 calc R . .
C5 C 0.6648(5) 0.3362(3) 0.9253(5) 0.030(2) Uani 1 1 d . . .
C6 C 0.6338(5) 0.4026(4) 0.8301(5) 0.029(2) Uani 1 1 d . . .
C7 C 0.6723(6) 0.3852(4) 0.7575(6) 0.036(2) Uani 1 1 d . . .
H7A H 0.6855 0.3522 0.7519 0.044 Uiso 1 1 calc R . .
C8 C 0.6905(6) 0.4172(4) 0.6949(6) 0.044(3) Uani 1 1 d . . .
H8A H 0.7203 0.4065 0.6474 0.052 Uiso 1 1 calc R . .
C9 C 0.6655(6) 0.4657(4) 0.6997(6) 0.034(2) Uani 1 1 d . . .
H9A H 0.6795 0.4882 0.6575 0.041 Uiso 1 1 calc R . .
C10 C 0.6187(5) 0.4794(3) 0.7701(6) 0.032(2) Uani 1 1 d . . .
C11 C 0.5631(5) 0.5577(4) 0.7198(6) 0.035(2) Uani 1 1 d . . .
C12 C 0.5391(6) 0.5455(4) 0.6370(6) 0.039(2) Uani 1 1 d . . .
H12A H 0.5471 0.5136 0.6183 0.046 Uiso 1 1 calc R . .
C13 C 0.5049(6) 0.5780(4) 0.5832(6) 0.040(2) Uani 1 1 d . . .
H13A H 0.4886 0.5689 0.5271 0.048 Uiso 1 1 calc R . .
C14 C 0.4933(6) 0.6260(4) 0.6106(6) 0.044(3) Uani 1 1 d . . .
H14A H 0.4674 0.6495 0.5745 0.053 Uiso 1 1 calc R . .
C15 C 0.5211(6) 0.6370(4) 0.6912(6) 0.035(2) Uani 1 1 d . . .
H15A H 0.5159 0.6691 0.7100 0.042 Uiso 1 1 calc R . .
C16 C 0.3241(6) 0.3019(4) 1.0400(7) 0.044(2) Uani 1 1 d . . .
H16A H 0.3385 0.2690 1.0357 0.052 Uiso 1 1 calc R . .
C17 C 0.2388(7) 0.3146(5) 1.0486(9) 0.062(4) Uani 1 1 d . . .
H17A H 0.1958 0.2907 1.0519 0.074 Uiso 1 1 calc R . .
C18 C 0.2174(7) 0.3629(4) 1.0524(7) 0.049(3) Uani 1 1 d . . .
H18A H 0.1594 0.3724 1.0573 0.059 Uiso 1 1 calc R . .
C19 C 0.2804(6) 0.3964(4) 1.0490(6) 0.040(2) Uani 1 1 d . . .
H19A H 0.2669 0.4296 1.0502 0.049 Uiso 1 1 calc R . .
C20 C 0.3682(6) 0.3809(4) 1.0436(5) 0.033(2) Uani 1 1 d . . .
C21 C 0.4349(5) 0.4593(3) 1.0685(5) 0.0279(19) Uani 1 1 d . . .
C22 C 0.3874(6) 0.4756(4) 1.1344(6) 0.035(2) Uani 1 1 d . . .
H22A H 0.3481 0.4549 1.1605 0.042 Uiso 1 1 calc R . .
C23 C 0.3979(6) 0.5216(4) 1.1614(6) 0.037(2) Uani 1 1 d . . .
H23A H 0.3670 0.5322 1.2082 0.045 Uiso 1 1 calc R . .
C24 C 0.4515(5) 0.5533(3) 1.1234(6) 0.0278(19) Uani 1 1 d . . .
H24A H 0.4566 0.5856 1.1416 0.033 Uiso 1 1 calc R . .
C25 C 0.4986(5) 0.5356(3) 1.0562(6) 0.031(2) Uani 1 1 d . . .
C26 C 0.5989(5) 0.6006(3) 1.0417(6) 0.0283(19) Uani 1 1 d . . .
C27 C 0.6240(6) 0.6065(4) 1.1262(6) 0.037(2) Uani 1 1 d . . .
H27A H 0.6057 0.5840 1.1666 0.044 Uiso 1 1 calc R . .
C28 C 0.6751(6) 0.6444(4) 1.1523(7) 0.045(3) Uani 1 1 d . . .
H28A H 0.6902 0.6491 1.2103 0.054 Uiso 1 1 calc R . .
C29 C 0.7041(7) 0.6760(4) 1.0904(7) 0.046(3) Uani 1 1 d . . .
H29A H 0.7413 0.7018 1.1057 0.055 Uiso 1 1 calc R . .
C30 C 0.6781(6) 0.6690(4) 1.0086(6) 0.037(2) Uani 1 1 d . . .
H30A H 0.6982 0.6904 0.9673 0.044 Uiso 1 1 calc R . .
C31 C 0.4660(6) 0.2596(3) 0.8595(6) 0.036(2) Uani 1 1 d . . .
H31A H 0.4874 0.2341 0.8941 0.043 Uiso 1 1 calc R . .
C32 C 0.4374(7) 0.2484(4) 0.7771(7) 0.050(3) Uani 1 1 d . . .
H32A H 0.4396 0.2167 0.7554 0.059 Uiso 1 1 calc R . .
C33 C 0.4055(7) 0.2867(4) 0.7288(7) 0.054(3) Uani 1 1 d . . .
H33A H 0.3872 0.2812 0.6717 0.065 Uiso 1 1 calc R . .
C34 C 0.3999(6) 0.3310(4) 0.7604(6) 0.043(2) Uani 1 1 d . . .
H34A H 0.3728 0.3556 0.7278 0.052 Uiso 1 1 calc R . .
C35 C 0.4343(6) 0.3411(4) 0.8425(6) 0.035(2) Uani 1 1 d . . .
C36 C 0.3998(5) 0.4256(3) 0.8516(5) 0.0273(19) Uani 1 1 d . . .
C37 C 0.3179(6) 0.4256(4) 0.8132(6) 0.037(2) Uani 1 1 d . . .
H37A H 0.2886 0.3963 0.8027 0.045 Uiso 1 1 calc R . .
C38 C 0.2802(6) 0.4681(4) 0.7908(6) 0.040(2) Uani 1 1 d . . .
H38A H 0.2243 0.4681 0.7646 0.048 Uiso 1 1 calc R . .
C39 C 0.3220(5) 0.5111(3) 0.8056(5) 0.0261(18) Uani 1 1 d . . .
H39A H 0.2966 0.5404 0.7867 0.031 Uiso 1 1 calc R . .
C40 C 0.4039(5) 0.5112(3) 0.8495(5) 0.0254(18) Uani 1 1 d . . .
C41 C 0.4145(5) 0.5942(3) 0.8933(5) 0.0254(18) Uani 1 1 d . . .
C42 C 0.3305(6) 0.6001(4) 0.9218(6) 0.037(2) Uani 1 1 d . . .
H42A H 0.2931 0.5733 0.9232 0.044 Uiso 1 1 calc R . .
C43 C 0.3037(6) 0.6425(3) 0.9465(6) 0.034(2) Uani 1 1 d . . .
H43A H 0.2463 0.6463 0.9628 0.040 Uiso 1 1 calc R . .
C44 C 0.3600(6) 0.6822(4) 0.9487(7) 0.043(2) Uani 1 1 d . . .
H44A H 0.3419 0.7126 0.9679 0.052 Uiso 1 1 calc R . .
C45 C 0.4405(6) 0.6753(3) 0.9226(6) 0.033(2) Uani 1 1 d . . .
H45A H 0.4793 0.7016 0.9252 0.040 Uiso 1 1 calc R . .
C46 C 0.5263(6) 0.3100(4) 1.1953(6) 0.034(2) Uani 1 1 d . . .
H46A H 0.4939 0.2814 1.1882 0.041 Uiso 1 1 calc R . .
C47 C 0.5504(6) 0.3246(4) 1.2751(6) 0.038(2) Uani 1 1 d . . .
H47A H 0.5382 0.3053 1.3224 0.046 Uiso 1 1 calc R . .
C48 C 0.5931(6) 0.3681(4) 1.2862(6) 0.039(2) Uani 1 1 d . . .
H48A H 0.6084 0.3796 1.3412 0.046 Uiso 1 1 calc R . .
C49 C 0.6127(6) 0.3944(3) 1.2157(6) 0.033(2) Uani 1 1 d . . .
H49A H 0.6408 0.4245 1.2223 0.040 Uiso 1 1 calc R . .
C50 C 0.5916(5) 0.3772(4) 1.1346(6) 0.033(2) Uani 1 1 d . . .
C51 C 0.6715(5) 0.4353(3) 1.0547(5) 0.0282(19) Uani 1 1 d . . .
C52 C 0.7487(5) 0.4340(4) 1.1024(6) 0.035(2) Uani 1 1 d . . .
H52A H 0.7602 0.4092 1.1423 0.042 Uiso 1 1 calc R . .
C53 C 0.8072(5) 0.4696(4) 1.0898(6) 0.037(2) Uani 1 1 d . . .
H53A H 0.8609 0.4687 1.1201 0.045 Uiso 1 1 calc R . .
C54 C 0.7898(5) 0.5065(4) 1.0342(6) 0.034(2) Uani 1 1 d . . .
H54A H 0.8281 0.5328 1.0304 0.041 Uiso 1 1 calc R . .
C55 C 0.7137(5) 0.5044(3) 0.9830(5) 0.0288(19) Uani 1 1 d . . .
C56 C 0.7452(5) 0.5646(3) 0.8770(5) 0.0282(19) Uani 1 1 d . . .
C57 C 0.8318(5) 0.5521(4) 0.8652(6) 0.033(2) Uani 1 1 d . . .
H57A H 0.8557 0.5242 0.8912 0.039 Uiso 1 1 calc R . .
C58 C 0.8802(5) 0.5803(4) 0.8164(6) 0.037(2) Uani 1 1 d . . .
H58A H 0.9384 0.5725 0.8079 0.044 Uiso 1 1 calc R . .
C59 C 0.8425(7) 0.6212(4) 0.7786(7) 0.048(3) Uani 1 1 d . . .
H59A H 0.8755 0.6416 0.7447 0.058 Uiso 1 1 calc R . .
C60 C 0.7594(6) 0.6314(4) 0.7905(6) 0.037(2) Uani 1 1 d . . .
H60A H 0.7342 0.6582 0.7621 0.044 Uiso 1 1 calc R . .
Cl5 Cl 0.5978(2) 0.49120(16) 0.4226(2) 0.0806(12) Uani 1 1 d D . .
O1 O 0.5150(4) 0.4877(4) 0.4551(6) 0.074(3) Uani 1 1 d D A .
O2 O 0.6429(9) 0.4497(4) 0.4492(10) 0.135(5) Uiso 1 1 d D A .
O3 O 0.6318(9) 0.5377(4) 0.4372(10) 0.047(4) Uiso 0.50 1 d PD A 1
O4 O 0.6104(15) 0.4717(8) 0.3428(8) 0.087(7) Uiso 0.50 1 d PD A 1
O3' O 0.6511(10) 0.5214(6) 0.4715(11) 0.068(5) Uiso 0.50 1 d PD A 2
O4' O 0.5859(12) 0.4925(7) 0.3337(6) 0.066(5) Uiso 0.50 1 d PD A 2
Co6 Co 0.50682(7) 0.86379(5) 0.54579(8) 0.0292(3) Uani 1 1 d . . .
Co7 Co 0.53501(7) 0.94429(4) 0.54038(7) 0.0263(3) Uani 1 1 d . . .
Co8 Co 0.56305(7) 1.02259(5) 0.53713(8) 0.0268(2) Uani 1 1 d . . .
Co9 Co 0.59079(8) 1.10140(5) 0.53430(8) 0.0309(3) Uani 1 1 d . . .
Co10 Co 0.61990(9) 1.18165(5) 0.53119(9) 0.0395(3) Uani 1 1 d . . .
Cl3 Cl 0.47655(15) 0.77817(9) 0.55082(16) 0.0406(6) Uani 1 1 d . . .
Cl4 Cl 0.6486(2) 1.26679(10) 0.5274(2) 0.0583(8) Uani 1 1 d . . .
N21 N 0.6287(4) 0.8550(3) 0.5205(4) 0.0279(16) Uani 1 1 d . . .
N22 N 0.6530(4) 0.9327(3) 0.5668(5) 0.0313(17) Uani 1 1 d . . .
N23 N 0.6661(4) 1.0122(3) 0.6042(5) 0.0278(16) Uani 1 1 d . . .
N24 N 0.6635(5) 1.0937(3) 0.6312(5) 0.0367(19) Uani 1 1 d . . .
N25 N 0.6476(5) 1.1748(3) 0.6546(5) 0.042(2) Uani 1 1 d . . .
N26 N 0.3880(4) 0.8843(3) 0.5692(5) 0.0321(18) Uani 1 1 d . . .
N27 N 0.4186(4) 0.9577(3) 0.5122(5) 0.0271(16) Uani 1 1 d . . .
N28 N 0.4587(4) 1.0326(3) 0.4700(5) 0.0283(16) Uani 1 1 d . . .
N29 N 0.5156(5) 1.1071(3) 0.4367(5) 0.0336(18) Uani 1 1 d . . .
N30 N 0.5912(5) 1.1770(3) 0.4091(5) 0.0353(18) Uani 1 1 d . . .
N31 N 0.4807(4) 0.8700(3) 0.4222(5) 0.0309(17) Uani 1 1 d . . .
N32 N 0.5583(5) 0.9406(3) 0.4236(5) 0.0300(16) Uani 1 1 d . . .
N33 N 0.6248(4) 1.0137(3) 0.4359(4) 0.0278(16) Uani 1 1 d . . .
N34 N 0.6831(5) 1.0886(3) 0.4649(5) 0.0356(18) Uani 1 1 d . . .
N35 N 0.7376(5) 1.1607(3) 0.5096(5) 0.043(2) Uani 1 1 d . . .
N36 N 0.5373(5) 0.8696(3) 0.6688(5) 0.0326(18) Uani 1 1 d . . .
N37 N 0.5138(4) 0.9503(3) 0.6573(5) 0.0285(16) Uani 1 1 d . . .
N38 N 0.5004(4) 1.0324(3) 0.6365(5) 0.0296(17) Uani 1 1 d . . .
N39 N 0.4969(5) 1.1123(3) 0.6042(5) 0.0340(18) Uani 1 1 d . . .
N40 N 0.4976(6) 1.1897(3) 0.5509(5) 0.0376(19) Uani 1 1 d . . .
C61 C 0.6560(6) 0.8162(3) 0.4793(6) 0.034(2) Uani 1 1 d . . .
H61A H 0.6151 0.7919 0.4662 0.041 Uiso 1 1 calc R . .
C62 C 0.7369(6) 0.8090(4) 0.4548(7) 0.044(3) Uani 1 1 d . . .
H62A H 0.7525 0.7799 0.4283 0.053 Uiso 1 1 calc R . .
C63 C 0.7972(6) 0.8459(4) 0.4697(8) 0.047(3) Uani 1 1 d . . .
H63A H 0.8549 0.8425 0.4536 0.056 Uiso 1 1 calc R . .
C64 C 0.7699(6) 0.8865(4) 0.5080(6) 0.039(2) Uani 1 1 d . . .
H64A H 0.8094 0.9120 0.5173 0.046 Uiso 1 1 calc R . .
C65 C 0.6861(5) 0.8920(3) 0.5343(6) 0.030(2) Uani 1 1 d . . .
C66 C 0.7019(5) 0.9675(3) 0.6068(5) 0.0265(18) Uani 1 1 d . . .
C67 C 0.7795(6) 0.9596(4) 0.6534(6) 0.042(2) Uani 1 1 d . . .
H67A H 0.8036 0.9284 0.6578 0.050 Uiso 1 1 calc R . .
C68 C 0.8196(6) 0.9980(4) 0.6924(6) 0.043(2) Uani 1 1 d . . .
H68A H 0.8735 0.9935 0.7213 0.052 Uiso 1 1 calc R . .
C69 C 0.7821(6) 1.0439(4) 0.6901(6) 0.035(2) Uani 1 1 d . . .
H69A H 0.8083 1.0700 0.7198 0.042 Uiso 1 1 calc R . .
C70 C 0.7063(6) 1.0499(3) 0.6436(6) 0.033(2) Uani 1 1 d . . .
C71 C 0.6691(6) 1.1314(4) 0.6869(7) 0.041(2) Uani 1 1 d . . .
C72 C 0.6854(6) 1.1272(4) 0.7756(7) 0.044(3) Uani 1 1 d . . .
H72A H 0.6988 1.0966 0.7990 0.053 Uiso 1 1 calc R . .
C73 C 0.6823(7) 1.1656(5) 0.8271(7) 0.052(3) Uani 1 1 d . . .
H73A H 0.6943 1.1626 0.8861 0.063 Uiso 1 1 calc R . .
C74 C 0.6608(7) 1.2098(4) 0.7910(7) 0.050(3) Uani 1 1 d . . .
H74A H 0.6583 1.2376 0.8254 0.060 Uiso 1 1 calc R . .
C75 C 0.6437(7) 1.2130(4) 0.7075(8) 0.056(3) Uani 1 1 d . . .
H75A H 0.6281 1.2434 0.6844 0.067 Uiso 1 1 calc R . .
C76 C 0.3373(6) 0.8557(4) 0.6138(7) 0.044(3) Uani 1 1 d . . .
H76A H 0.3585 0.8251 0.6303 0.053 Uiso 1 1 calc R . .
C77 C 0.2570(6) 0.8684(4) 0.6367(6) 0.039(2) Uani 1 1 d . . .
H77A H 0.2226 0.8465 0.6662 0.047 Uiso 1 1 calc R . .
C78 C 0.2270(6) 0.9132(4) 0.6162(6) 0.044(3) Uani 1 1 d . . .
H78A H 0.1719 0.9231 0.6324 0.053 Uiso 1 1 calc R . .
C79 C 0.2776(5) 0.9435(4) 0.5721(6) 0.035(2) Uani 1 1 d . . .
H79A H 0.2578 0.9747 0.5574 0.042 Uiso 1 1 calc R . .
C80 C 0.3588(5) 0.9281(4) 0.5489(5) 0.032(2) Uani 1 1 d . . .
C81 C 0.3968(6) 0.9989(4) 0.4687(6) 0.032(2) Uani 1 1 d . . .
C82 C 0.3202(5) 1.0068(4) 0.4213(5) 0.032(2) Uani 1 1 d . . .
H82A H 0.2771 0.9828 0.4171 0.038 Uiso 1 1 calc R . .
C83 C 0.3087(6) 1.0510(4) 0.3804(6) 0.039(2) Uani 1 1 d . . .
H83A H 0.2565 1.0572 0.3492 0.047 Uiso 1 1 calc R . .
C84 C 0.3723(6) 1.0860(4) 0.3845(6) 0.038(2) Uani 1 1 d . . .
H84A H 0.3635 1.1163 0.3581 0.045 Uiso 1 1 calc R . .
C85 C 0.4489(6) 1.0755(3) 0.4282(5) 0.032(2) Uani 1 1 d . . .
C86 C 0.5391(6) 1.1391(3) 0.3786(6) 0.037(2) Uani 1 1 d . . .
C87 C 0.5178(6) 1.1349(4) 0.2909(6) 0.038(2) Uani 1 1 d . . .
H87A H 0.4805 1.1102 0.2704 0.045 Uiso 1 1 calc R . .
C88 C 0.5524(7) 1.1673(4) 0.2362(7) 0.050(3) Uani 1 1 d . . .
H88A H 0.5395 1.1647 0.1773 0.060 Uiso 1 1 calc R . .
C89 C 0.6046(7) 1.2028(4) 0.2659(7) 0.044(3) Uani 1 1 d . . .
H89A H 0.6295 1.2245 0.2278 0.053 Uiso 1 1 calc R . .
C90 C 0.6216(7) 1.2074(4) 0.3518(7) 0.046(3) Uani 1 1 d . . .
H90A H 0.6565 1.2333 0.3713 0.055 Uiso 1 1 calc R . .
C91 C 0.4292(5) 0.8372(4) 0.3812(6) 0.036(2) Uani 1 1 d . . .
H91A H 0.4034 0.8129 0.4135 0.043 Uiso 1 1 calc R . .
C92 C 0.4129(6) 0.8377(4) 0.2950(7) 0.044(3) Uani 1 1 d . . .
H92A H 0.3789 0.8135 0.2680 0.053 Uiso 1 1 calc R . .
C93 C 0.4473(6) 0.8743(4) 0.2495(6) 0.043(3) Uani 1 1 d . . .
H93A H 0.4373 0.8752 0.1901 0.052 Uiso 1 1 calc R . .
C94 C 0.4950(6) 0.9090(4) 0.2874(6) 0.036(2) Uani 1 1 d . . .
H94A H 0.5159 0.9350 0.2555 0.044 Uiso 1 1 calc R . .
C95 C 0.5136(5) 0.9062(3) 0.3762(6) 0.032(2) Uani 1 1 d . . .
C96 C 0.6149(5) 0.9730(3) 0.3892(6) 0.029(2) Uani 1 1 d . . .
C97 C 0.6608(6) 0.9663(4) 0.3175(6) 0.035(2) Uani 1 1 d . . .
H97A H 0.6571 0.9367 0.2877 0.042 Uiso 1 1 calc R . .
C98 C 0.7126(6) 1.0031(4) 0.2894(6) 0.037(2) Uani 1 1 d . . .
H98A H 0.7417 0.9995 0.2383 0.045 Uiso 1 1 calc R . .
C99 C 0.7214(6) 1.0442(4) 0.3350(6) 0.041(2) Uani 1 1 d . . .
H99A H 0.7555 1.0696 0.3150 0.049 Uiso 1 1 calc R . .
C100 C 0.6798(5) 1.0492(3) 0.4128(6) 0.031(2) Uani 1 1 d . . .
C101 C 0.7533(6) 1.1176(4) 0.4756(6) 0.036(2) Uani 1 1 d . . .
C102 C 0.8386(6) 1.1027(4) 0.4651(7) 0.043(2) Uani 1 1 d . . .
H10A H 0.8506 1.0719 0.4431 0.051 Uiso 1 1 calc R . .
C103 C 0.9048(7) 1.1345(4) 0.4879(7) 0.051(3) Uani 1 1 d . . .
H10B H 0.9624 1.1254 0.4792 0.061 Uiso 1 1 calc R . .
C104 C 0.8887(7) 1.1776(4) 0.5221(8) 0.057(3) Uani 1 1 d . . .
H10C H 0.9344 1.1989 0.5368 0.068 Uiso 1 1 calc R . .
C105 C 0.8066(7) 1.1902(4) 0.5352(7) 0.048(3) Uani 1 1 d . . .
H10D H 0.7954 1.2197 0.5623 0.058 Uiso 1 1 calc R . .
C106 C 0.5644(6) 0.8304(4) 0.7145(7) 0.041(2) Uani 1 1 d . . .
H10E H 0.5677 0.8005 0.6862 0.049 Uiso 1 1 calc R . .
C107 C 0.5867(6) 0.8319(4) 0.7983(6) 0.042(2) Uani 1 1 d . . .
H10F H 0.6012 0.8033 0.8281 0.051 Uiso 1 1 calc R . .
C108 C 0.5881(6) 0.8757(4) 0.8395(6) 0.039(2) Uani 1 1 d . . .
H10G H 0.6059 0.8782 0.8973 0.047 Uiso 1 1 calc R . .
C109 C 0.5619(5) 0.9163(4) 0.7923(6) 0.037(2) Uani 1 1 d . . .
H10H H 0.5626 0.9469 0.8183 0.044 Uiso 1 1 calc R . .
C110 C 0.5354(5) 0.9118(3) 0.7086(6) 0.031(2) Uani 1 1 d . . .
C111 C 0.4842(5) 0.9939(3) 0.6869(6) 0.0293(19) Uani 1 1 d . . .
C112 C 0.4348(6) 0.9999(4) 0.7594(5) 0.033(2) Uani 1 1 d . . .
H11A H 0.4209 0.9733 0.7935 0.040 Uiso 1 1 calc R . .
C113 C 0.4077(6) 1.0451(4) 0.7787(6) 0.041(2) Uani 1 1 d . . .
H11B H 0.3768 1.0496 0.8284 0.050 Uiso 1 1 calc R . .
C114 C 0.4235(6) 1.0836(4) 0.7297(6) 0.036(2) Uani 1 1 d . . .
H11C H 0.4025 1.1144 0.7437 0.043 Uiso 1 1 calc R . .
C115 C 0.4722(6) 1.0768(4) 0.6566(6) 0.035(2) Uani 1 1 d . . .
C116 C 0.4501(7) 1.1526(3) 0.5849(5) 0.036(2) Uani 1 1 d . . .
C117 C 0.3596(7) 1.1547(4) 0.5899(7) 0.043(2) Uani 1 1 d . . .
H11D H 0.3288 1.1292 0.6142 0.052 Uiso 1 1 calc R . .
C118 C 0.3164(8) 1.1960(4) 0.5575(7) 0.052(3) Uani 1 1 d . . .
H11E H 0.2557 1.1984 0.5584 0.063 Uiso 1 1 calc R . .
C119 C 0.3653(8) 1.2334(4) 0.5239(7) 0.049(3) Uani 1 1 d . . .
H11F H 0.3376 1.2616 0.5031 0.059 Uiso 1 1 calc R . .
C120 C 0.4538(7) 1.2291(4) 0.5211(7) 0.044(2) Uani 1 1 d . . .
H12B H 0.4852 1.2546 0.4975 0.052 Uiso 1 1 calc R . .
Cl6 Cl 1.1418(2) 1.06890(16) 0.57351(19) 0.0715(10) Uani 1 1 d D . .
O5 O 1.1365(6) 1.0463(3) 0.4934(5) 0.070(3) Uani 1 1 d D B .
O6 O 1.2235(5) 1.0641(4) 0.6131(7) 0.088(3) Uani 1 1 d D B .
O7 O 1.0685(10) 1.0631(9) 0.6192(12) 0.087(6) Uiso 0.50 1 d PD B 1
O8 O 1.1455(13) 1.1186(4) 0.5514(13) 0.082(6) Uiso 0.50 1 d PD B 1
O7' O 1.0996(14) 1.0325(7) 0.6206(13) 0.095(7) Uiso 0.50 1 d PD B 2
O8' O 1.0851(14) 1.1050(7) 0.5892(17) 0.108(8) Uiso 0.50 1 d PD B 2
C121 C 0.8025(12) 0.7702(10) 0.7232(12) 0.132(9) Uani 1 1 d . . .
H12C H 0.8281 0.7531 0.6756 0.158 Uiso 1 1 calc R . .
H12D H 0.7446 0.7566 0.7301 0.158 Uiso 1 1 calc R . .
Cl7 Cl 0.8646(3) 0.75834(19) 0.8145(3) 0.1021(16) Uani 1 1 d . . .
Cl8 Cl 0.7922(2) 0.82746(17) 0.6976(3) 0.0956(14) Uani 1 1 d . . .
C122 C 0.8726(7) 0.2648(5) 0.2436(8) 0.063(4) Uani 1 1 d . . .
H12E H 0.9196 0.2831 0.2724 0.076 Uiso 1 1 calc R . .
H12F H 0.8930 0.2544 0.1882 0.076 Uiso 1 1 calc R . .
Cl9 Cl 0.8513(2) 0.21451(13) 0.3031(2) 0.0687(9) Uani 1 1 d . . .
Cl10 Cl 0.7852(3) 0.30236(17) 0.2269(2) 0.0851(11) Uani 1 1 d . . .
C123 C 1.0347(9) 0.9509(6) 0.4723(11) 0.085(5) Uani 1 1 d . . .
H12G H 1.0456 0.9561 0.4120 0.102 Uiso 1 1 calc R . .
H12H H 1.0846 0.9633 0.5060 0.102 Uiso 1 1 calc R . .
Cl11 Cl 0.9412(3) 0.98362(16) 0.4988(3) 0.0843(11) Uani 1 1 d . . .
Cl12 Cl 1.0244(3) 0.88950(17) 0.4908(3) 0.0997(15) Uani 1 1 d . . .
C124 C 0.5059(10) 0.3786(7) 0.5660(11) 0.089(5) Uani 1 1 d . . .
H12I H 0.5517 0.3938 0.5341 0.106 Uiso 1 1 calc R . .
H12J H 0.5318 0.3521 0.5999 0.106 Uiso 1 1 calc R . .
Cl13 Cl 0.4607(2) 0.42186(15) 0.6349(2) 0.0747(10) Uani 1 1 d . . .
Cl14 Cl 0.4288(4) 0.35614(15) 0.4970(4) 0.126(2) Uani 1 1 d . . .
C125 C 0.5358(12) 0.6253(8) 0.349(2) 0.225(16) Uiso 1 1 d D . .
H12K H 0.5789 0.6036 0.3764 0.270 Uiso 1 1 calc R . .
H12L H 0.5519 0.6301 0.2900 0.270 Uiso 1 1 calc R . .
Cl15 Cl 0.4351(7) 0.5968(4) 0.3486(7) 0.213(4) Uiso 1 1 d D . .
Cl16 Cl 0.5407(8) 0.6807(5) 0.4011(8) 0.247(5) Uiso 1 1 d D . .
C126 C 0.919(2) 1.3202(16) 0.724(2) 0.153(19) Uiso 0.50 1 d PD C 1
H12M H 0.9516 1.3140 0.7772 0.184 Uiso 0.50 1 calc PR C 1
H12N H 0.9079 1.3550 0.7181 0.184 Uiso 0.50 1 calc PR C 1
Cl17 Cl 0.9716(12) 1.2987(8) 0.6393(14) 0.231(9) Uiso 0.50 1 d PD C 1
Cl18 Cl 0.8258(13) 1.2887(9) 0.7188(15) 0.247(10) Uiso 0.50 1 d PD C 1
C127 C 1.1282(11) 1.1998(12) 0.7417(17) 0.088(9) Uiso 0.50 1 d PD D 2
H12O H 1.1030 1.2115 0.7942 0.106 Uiso 0.50 1 calc PR D 2
H12P H 1.1192 1.1647 0.7388 0.106 Uiso 0.50 1 calc PR D 2
Cl19 Cl 1.0772(13) 1.2258(7) 0.6582(12) 0.207(8) Uiso 0.50 1 d PD D 2
Cl20 Cl 1.2334(10) 1.2112(6) 0.7458(10) 0.164(5) Uiso 0.50 1 d PD D 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N11 Co1 N1 90.1(3) . . ?
N11 Co1 N6 89.1(3) . . ?
N1 Co1 N6 170.2(4) . . ?
N11 Co1 N16 171.5(4) . . ?
N1 Co1 N16 89.9(3) . . ?
N6 Co1 N16 89.4(3) . . ?
N11 Co1 Co2 85.5(3) . . ?
N1 Co1 Co2 84.8(3) . . ?
N6 Co1 Co2 85.3(2) . . ?
N16 Co1 Co2 86.1(2) . . ?
N11 Co1 Cl1 94.0(3) . . ?
N1 Co1 Cl1 94.6(3) . . ?
N6 Co1 Cl1 95.2(3) . . ?
N16 Co1 Cl1 94.5(2) . . ?
Co2 Co1 Cl1 179.20(10) . . ?
N17 Co2 N2 90.7(3) . . ?
N17 Co2 N12 178.2(4) . . ?
N2 Co2 N12 90.2(3) . . ?
N17 Co2 N7 91.0(3) . . ?
N2 Co2 N7 177.1(4) . . ?
N12 Co2 N7 88.1(3) . . ?
N17 Co2 Co3 88.9(2) . . ?
N2 Co2 Co3 87.9(3) . . ?
N12 Co2 Co3 89.6(3) . . ?
N7 Co2 Co3 89.8(2) . . ?
N17 Co2 Co1 90.1(2) . . ?
N2 Co2 Co1 91.9(3) . . ?
N12 Co2 Co1 91.5(3) . . ?
N7 Co2 Co1 90.5(2) . . ?
Co3 Co2 Co1 178.88(7) . . ?
N18 Co3 N3 90.3(3) . . ?
N18 Co3 N13 178.9(4) . . ?
N3 Co3 N13 90.6(3) . . ?
N18 Co3 N8 90.3(3) . . ?
N3 Co3 N8 179.2(4) . . ?
N13 Co3 N8 88.9(3) . . ?
N18 Co3 Co4 88.5(3) . . ?
N3 Co3 Co4 89.3(3) . . ?
N13 Co3 Co4 90.8(3) . . ?
N8 Co3 Co4 90.2(2) . . ?
N18 Co3 Co2 91.2(3) . . ?
N3 Co3 Co2 91.5(3) . . ?
N13 Co3 Co2 89.5(3) . . ?
N8 Co3 Co2 89.1(2) . . ?
Co4 Co3 Co2 179.19(8) . . ?
N19 Co4 N4 89.9(3) . . ?
N19 Co4 N14 178.0(4) . . ?
N4 Co4 N14 90.4(3) . . ?
N19 Co4 N9 89.6(3) . . ?
N4 Co4 N9 178.1(4) . . ?
N14 Co4 N9 90.0(3) . . ?
N19 Co4 Co3 89.5(3) . . ?
N4 Co4 Co3 90.1(3) . . ?
N14 Co4 Co3 88.5(2) . . ?
N9 Co4 Co3 88.0(2) . . ?
N19 Co4 Co5 90.9(3) . . ?
N4 Co4 Co5 91.8(3) . . ?
N14 Co4 Co5 91.1(2) . . ?
N9 Co4 Co5 90.1(2) . . ?
Co3 Co4 Co5 178.04(8) . . ?
N20 Co5 N10 88.9(3) . . ?
N20 Co5 N5 89.7(3) . . ?
N10 Co5 N5 171.7(4) . . ?
N20 Co5 N15 170.3(4) . . ?
N10 Co5 N15 89.2(3) . . ?
N5 Co5 N15 90.8(3) . . ?
N20 Co5 Co4 85.7(2) . . ?
N10 Co5 Co4 87.0(3) . . ?
N5 Co5 Co4 84.7(3) . . ?
N15 Co5 Co4 84.7(3) . . ?
N20 Co5 Cl2 95.2(3) . . ?
N10 Co5 Cl2 93.7(3) . . ?
N5 Co5 Cl2 94.6(3) . . ?
N15 Co5 Cl2 94.4(3) . . ?
Co4 Co5 Cl2 178.87(9) . . ?
C1 N1 C5 118.0(8) . . ?
C1 N1 Co1 120.7(7) . . ?
C5 N1 Co1 121.0(6) . . ?
C5 N2 C6 123.9(8) . . ?
C5 N2 Co2 115.7(7) . . ?
C6 N2 Co2 119.8(6) . . ?
C6 N3 C10 121.9(8) . . ?
C6 N3 Co3 118.0(6) . . ?
C10 N3 Co3 120.1(7) . . ?
C11 N4 C10 125.7(9) . . ?
C11 N4 Co4 116.8(7) . . ?
C10 N4 Co4 117.3(7) . . ?
C15 N5 C11 118.9(9) . . ?
C15 N5 Co5 119.6(7) . . ?
C11 N5 Co5 121.5(7) . . ?
C20 N6 C16 119.2(9) . . ?
C20 N6 Co1 121.4(7) . . ?
C16 N6 Co1 119.0(8) . . ?
C20 N7 C21 124.9(8) . . ?
C20 N7 Co2 115.2(6) . . ?
C21 N7 Co2 119.2(6) . . ?
C21 N8 C25 121.3(8) . . ?
C21 N8 Co3 120.1(7) . . ?
C25 N8 Co3 118.5(6) . . ?
C26 N9 C25 123.9(8) . . ?
C26 N9 Co4 117.0(6) . . ?
C25 N9 Co4 119.1(6) . . ?
C30 N10 C26 119.1(8) . . ?
C30 N10 Co5 122.1(7) . . ?
C26 N10 Co5 118.7(6) . . ?
C31 N11 C35 118.3(9) . . ?
C31 N11 Co1 120.9(7) . . ?
C35 N11 Co1 120.8(7) . . ?
C36 N12 C35 124.4(8) . . ?
C36 N12 Co2 118.0(6) . . ?
C35 N12 Co2 117.6(7) . . ?
C40 N13 C36 122.3(8) . . ?
C40 N13 Co3 117.5(6) . . ?
C36 N13 Co3 120.0(6) . . ?
C40 N14 C41 123.0(7) . . ?
C40 N14 Co4 120.0(6) . . ?
C41 N14 Co4 115.7(6) . . ?
C41 N15 C45 117.9(7) . . ?
C41 N15 Co5 121.6(6) . . ?
C45 N15 Co5 120.0(6) . . ?
C46 N16 C50 120.0(9) . . ?
C46 N16 Co1 120.2(7) . . ?
C50 N16 Co1 119.5(7) . . ?
C50 N17 C51 122.0(8) . . ?
C50 N17 Co2 117.7(6) . . ?
C51 N17 Co2 119.7(6) . . ?
C55 N18 C51 120.2(8) . . ?
C55 N18 Co3 121.2(7) . . ?
C51 N18 Co3 118.6(6) . . ?
C55 N19 C56 124.7(8) . . ?
C55 N19 Co4 118.2(6) . . ?
C56 N19 Co4 117.1(6) . . ?
C60 N20 C56 118.3(8) . . ?
C60 N20 Co5 120.8(7) . . ?
C56 N20 Co5 120.8(6) . . ?
N1 C1 C2 123.3(10) . . ?
C3 C2 C1 117.9(10) . . ?
C2 C3 C4 123.2(10) . . ?
C3 C4 C5 117.6(11) . . ?
N2 C5 N1 115.6(8) . . ?
N2 C5 C4 124.2(10) . . ?
N1 C5 C4 119.9(9) . . ?
N3 C6 N2 116.0(8) . . ?
N3 C6 C7 120.2(9) . . ?
N2 C6 C7 123.6(10) . . ?
C8 C7 C6 118.5(10) . . ?
C7 C8 C9 121.1(10) . . ?
C10 C9 C8 117.2(10) . . ?
N3 C10 N4 115.6(9) . . ?
N3 C10 C9 120.5(10) . . ?
N4 C10 C9 123.8(10) . . ?
N5 C11 C12 119.7(10) . . ?
N5 C11 N4 114.7(9) . . ?
C12 C11 N4 125.4(10) . . ?
C13 C12 C11 121.4(12) . . ?
C12 C13 C14 119.6(11) . . ?
C15 C14 C13 117.2(11) . . ?
N5 C15 C14 123.2(11) . . ?
N6 C16 C17 122.2(11) . . ?
C18 C17 C16 118.9(11) . . ?
C19 C18 C17 119.3(11) . . ?
C18 C19 C20 119.1(11) . . ?
N6 C20 N7 116.2(9) . . ?
N6 C20 C19 121.3(10) . . ?
N7 C20 C19 122.4(10) . . ?
N8 C21 N7 114.8(8) . . ?
N8 C21 C22 119.9(9) . . ?
N7 C21 C22 125.3(9) . . ?
C23 C22 C21 119.1(10) . . ?
C22 C23 C24 122.4(10) . . ?
C23 C24 C25 117.0(9) . . ?
N8 C25 N9 114.8(8) . . ?
N8 C25 C24 120.3(9) . . ?
N9 C25 C24 124.9(9) . . ?
N9 C26 C27 124.4(10) . . ?
N9 C26 N10 116.2(8) . . ?
C27 C26 N10 119.2(9) . . ?
C26 C27 C28 121.1(10) . . ?
C27 C28 C29 118.1(11) . . ?
C30 C29 C28 119.0(10) . . ?
N10 C30 C29 123.4(10) . . ?
N11 C31 C32 124.8(10) . . ?
C31 C32 C33 115.7(11) . . ?
C34 C33 C32 122.0(11) . . ?
C33 C34 C35 120.1(11) . . ?
N12 C35 N11 114.8(9) . . ?
N12 C35 C34 126.4(10) . . ?
N11 C35 C34 118.8(10) . . ?
N13 C36 N12 115.0(8) . . ?
N13 C36 C37 119.8(9) . . ?
N12 C36 C37 125.1(9) . . ?
C38 C37 C36 119.6(10) . . ?
C37 C38 C39 120.9(9) . . ?
C38 C39 C40 119.4(9) . . ?
N13 C40 N14 116.3(7) . . ?
N13 C40 C39 117.7(9) . . ?
N14 C40 C39 126.0(8) . . ?
N15 C41 N14 114.1(7) . . ?
N15 C41 C42 120.4(9) . . ?
N14 C41 C42 125.4(9) . . ?
C43 C42 C41 120.6(10) . . ?
C42 C43 C44 120.3(9) . . ?
C45 C44 C43 117.8(10) . . ?
C44 C45 N15 122.9(10) . . ?
N16 C46 C47 121.9(10) . . ?
C46 C47 C48 119.3(10) . . ?
C49 C48 C47 118.7(10) . . ?
C48 C49 C50 120.7(10) . . ?
N16 C50 N17 115.1(9) . . ?
N16 C50 C49 119.2(10) . . ?
N17 C50 C49 125.6(10) . . ?
N18 C51 C52 121.5(9) . . ?
N18 C51 N17 114.8(8) . . ?
C52 C51 N17 123.7(9) . . ?
C53 C52 C51 117.8(10) . . ?
C52 C53 C54 121.5(9) . . ?
C53 C54 C55 118.4(10) . . ?
N18 C55 N19 114.2(8) . . ?
N18 C55 C54 120.2(9) . . ?
N19 C55 C54 125.5(9) . . ?
N20 C56 N19 115.0(8) . . ?
N20 C56 C57 121.0(9) . . ?
N19 C56 C57 124.0(9) . . ?
C58 C57 C56 119.4(10) . . ?
C57 C58 C59 118.8(9) . . ?
C60 C59 C58 120.0(10) . . ?
C59 C60 N20 122.4(11) . . ?
O3' Cl5 O4 129.4(14) . . ?
O3' Cl5 O3 31.4(9) . . ?
O4 Cl5 O3 116.0(13) . . ?
O3' Cl5 O1 111.8(10) . . ?
O4 Cl5 O1 117.9(11) . . ?
O3 Cl5 O1 110.2(8) . . ?
O3' Cl5 O2 92.9(12) . . ?
O4 Cl5 O2 82.3(13) . . ?
O3 Cl5 O2 121.6(11) . . ?
O1 Cl5 O2 106.6(9) . . ?
O3' Cl5 O4' 126.1(15) . . ?
O4 Cl5 O4' 29.0(14) . . ?
O3 Cl5 O4' 100.0(14) . . ?
O1 Cl5 O4' 106.3(12) . . ?
O2 Cl5 O4' 111.3(14) . . ?
N21 Co6 N31 88.3(3) . . ?
N21 Co6 N26 170.4(4) . . ?
N31 Co6 N26 90.3(3) . . ?
N21 Co6 N36 90.9(3) . . ?
N31 Co6 N36 170.2(4) . . ?
N26 Co6 N36 88.9(3) . . ?
N21 Co6 Co7 85.8(2) . . ?
N31 Co6 Co7 84.8(3) . . ?
N26 Co6 Co7 84.6(3) . . ?
N36 Co6 Co7 85.3(3) . . ?
N21 Co6 Cl3 94.3(2) . . ?
N31 Co6 Cl3 94.9(3) . . ?
N26 Co6 Cl3 95.3(3) . . ?
N36 Co6 Cl3 94.9(3) . . ?
Co7 Co6 Cl3 179.72(10) . . ?
N27 Co7 N22 178.1(4) . . ?
N27 Co7 N32 90.0(4) . . ?
N22 Co7 N32 89.0(4) . . ?
N27 Co7 N37 90.5(3) . . ?
N22 Co7 N37 90.4(4) . . ?
N32 Co7 N37 177.8(4) . . ?
N27 Co7 Co8 89.4(3) . . ?
N22 Co7 Co8 89.0(3) . . ?
N32 Co7 Co8 89.2(3) . . ?
N37 Co7 Co8 88.8(3) . . ?
N27 Co7 Co6 91.0(3) . . ?
N22 Co7 Co6 90.6(3) . . ?
N32 Co7 Co6 91.6(3) . . ?
N37 Co7 Co6 90.5(3) . . ?
Co8 Co7 Co6 179.15(8) . . ?
N38 Co8 N23 90.6(3) . . ?
N38 Co8 N28 89.2(3) . . ?
N23 Co8 N28 179.5(4) . . ?
N38 Co8 N33 178.8(4) . . ?
N23 Co8 N33 90.3(3) . . ?
N28 Co8 N33 89.9(3) . . ?
N38 Co8 Co7 90.8(3) . . ?
N23 Co8 Co7 90.0(3) . . ?
N28 Co8 Co7 89.6(3) . . ?
N33 Co8 Co7 89.9(3) . . ?
N38 Co8 Co9 89.0(3) . . ?
N23 Co8 Co9 90.1(2) . . ?
N28 Co8 Co9 90.3(3) . . ?
N33 Co8 Co9 90.3(3) . . ?
Co7 Co8 Co9 179.73(9) . . ?
N34 Co9 N24 90.3(4) . . ?
N34 Co9 N39 178.3(4) . . ?
N24 Co9 N39 89.8(4) . . ?
N34 Co9 N29 90.0(4) . . ?
N24 Co9 N29 178.0(4) . . ?
N39 Co9 N29 89.8(4) . . ?
N34 Co9 Co8 88.8(3) . . ?
N24 Co9 Co8 88.9(3) . . ?
N39 Co9 Co8 89.5(3) . . ?
N29 Co9 Co8 89.1(3) . . ?
N34 Co9 Co10 90.9(3) . . ?
N24 Co9 Co10 90.9(3) . . ?
N39 Co9 Co10 90.9(3) . . ?
N29 Co9 Co10 91.0(3) . . ?
Co8 Co9 Co10 179.65(9) . . ?
N40 Co10 N35 169.2(4) . . ?
N40 Co10 N30 88.9(4) . . ?
N35 Co10 N30 89.1(4) . . ?
N40 Co10 N25 91.6(4) . . ?
N35 Co10 N25 88.7(4) . . ?
N30 Co10 N25 170.7(4) . . ?
N40 Co10 Co9 85.0(3) . . ?
N35 Co10 Co9 84.3(3) . . ?
N30 Co10 Co9 85.4(2) . . ?
N25 Co10 Co9 85.4(3) . . ?
N40 Co10 Cl4 94.2(3) . . ?
N35 Co10 Cl4 96.5(3) . . ?
N30 Co10 Cl4 94.3(3) . . ?
N25 Co10 Cl4 94.9(3) . . ?
Co9 Co10 Cl4 179.20(12) . . ?
C61 N21 C65 117.6(8) . . ?
C61 N21 Co6 121.8(7) . . ?
C65 N21 Co6 119.9(6) . . ?
C65 N22 C66 123.6(8) . . ?
C65 N22 Co7 116.1(6) . . ?
C66 N22 Co7 119.7(7) . . ?
C70 N23 C66 120.8(8) . . ?
C70 N23 Co8 119.8(7) . . ?
C66 N23 Co8 119.2(7) . . ?
C71 N24 C70 124.1(9) . . ?
C71 N24 Co9 117.1(8) . . ?
C70 N24 Co9 118.8(7) . . ?
C71 N25 C75 119.0(11) . . ?
C71 N25 Co10 119.8(8) . . ?
C75 N25 Co10 121.1(9) . . ?
C80 N26 C76 117.7(9) . . ?
C80 N26 Co6 121.9(7) . . ?
C76 N26 Co6 120.0(8) . . ?
C81 N27 C80 123.3(8) . . ?
C81 N27 Co7 119.9(6) . . ?
C80 N27 Co7 116.0(6) . . ?
C81 N28 C85 122.3(8) . . ?
C81 N28 Co8 119.7(7) . . ?
C85 N28 Co8 117.9(7) . . ?
C86 N29 C85 126.1(9) . . ?
C86 N29 Co9 115.7(7) . . ?
C85 N29 Co9 117.8(7) . . ?
C90 N30 C86 117.1(10) . . ?
C90 N30 Co10 123.3(8) . . ?
C86 N30 Co10 119.5(7) . . ?
C95 N31 C91 118.0(9) . . ?
C95 N31 Co6 121.7(7) . . ?
C91 N31 Co6 120.2(7) . . ?
C96 N32 C95 123.3(9) . . ?
C96 N32 Co7 119.7(7) . . ?
C95 N32 Co7 116.9(7) . . ?
C96 N33 C100 121.1(9) . . ?
C96 N33 Co8 120.8(7) . . ?
C100 N33 Co8 118.1(7) . . ?
C101 N34 C100 123.9(9) . . ?
C101 N34 Co9 116.4(8) . . ?
C100 N34 Co9 119.5(6) . . ?
C101 N35 C105 119.4(10) . . ?
C101 N35 Co10 121.5(7) . . ?
C105 N35 Co10 119.0(8) . . ?
C110 N36 C106 117.8(9) . . ?
C110 N36 Co6 121.6(7) . . ?
C106 N36 Co6 120.6(8) . . ?
C110 N37 C111 123.9(8) . . ?
C110 N37 Co7 117.2(7) . . ?
C111 N37 Co7 118.7(6) . . ?
C115 N38 C111 120.6(8) . . ?
C115 N38 Co8 120.5(7) . . ?
C111 N38 Co8 118.9(7) . . ?
C116 N39 C115 125.0(9) . . ?
C116 N39 Co9 114.7(7) . . ?
C115 N39 Co9 119.1(7) . . ?
C120 N40 C116 117.6(10) . . ?
C120 N40 Co10 120.9(8) . . ?
C116 N40 Co10 120.9(7) . . ?
N21 C61 C62 125.4(10) . . ?
C61 C62 C63 118.0(10) . . ?
C64 C63 C62 117.5(10) . . ?
C63 C64 C65 122.6(11) . . ?
N22 C65 N21 115.6(8) . . ?
N22 C65 C64 125.6(9) . . ?
N21 C65 C64 118.7(9) . . ?
N23 C66 N22 114.4(8) . . ?
N23 C66 C67 119.9(9) . . ?
N22 C66 C67 125.6(9) . . ?
C68 C67 C66 118.7(10) . . ?
C67 C68 C69 121.1(10) . . ?
C70 C69 C68 118.2(10) . . ?
N23 C70 C69 121.2(10) . . ?
N23 C70 N24 113.7(8) . . ?
C69 C70 N24 125.1(10) . . ?
N25 C71 N24 115.8(10) . . ?
N25 C71 C72 118.8(11) . . ?
N24 C71 C72 125.0(11) . . ?
C73 C72 C71 121.5(12) . . ?
C72 C73 C74 117.9(12) . . ?
C75 C74 C73 119.9(12) . . ?
C74 C75 N25 123.0(14) . . ?
N26 C76 C77 123.5(11) . . ?
C78 C77 C76 118.8(10) . . ?
C77 C78 C79 119.1(10) . . ?
C78 C79 C80 119.5(11) . . ?
N26 C80 N27 114.4(8) . . ?
N26 C80 C79 121.3(9) . . ?
N27 C80 C79 123.9(10) . . ?
N28 C81 N27 114.4(8) . . ?
N28 C81 C82 119.5(10) . . ?
N27 C81 C82 126.0(10) . . ?
C83 C82 C81 118.5(10) . . ?
C84 C83 C82 121.2(10) . . ?
C85 C84 C83 118.1(11) . . ?
N29 C85 N28 116.4(8) . . ?
N29 C85 C84 123.3(10) . . ?
N28 C85 C84 120.2(10) . . ?
N29 C86 N30 115.6(10) . . ?
N29 C86 C87 123.8(10) . . ?
N30 C86 C87 120.5(10) . . ?
C88 C87 C86 118.7(12) . . ?
C89 C88 C87 120.4(12) . . ?
C88 C89 C90 119.9(11) . . ?
N30 C90 C89 123.3(12) . . ?
N31 C91 C92 123.1(11) . . ?
C93 C92 C91 117.9(10) . . ?
C94 C93 C92 121.4(11) . . ?
C93 C94 C95 119.1(11) . . ?
N31 C95 N32 114.5(9) . . ?
N31 C95 C94 120.3(9) . . ?
N32 C95 C94 125.0(10) . . ?
N33 C96 C97 120.6(9) . . ?
N33 C96 N32 112.9(9) . . ?
C97 C96 N32 126.4(10) . . ?
C96 C97 C98 119.5(11) . . ?
C99 C98 C97 119.9(10) . . ?
C98 C99 C100 120.3(11) . . ?
N33 C100 N34 115.2(9) . . ?
N33 C100 C99 118.2(10) . . ?
N34 C100 C99 126.3(10) . . ?
N35 C101 N34 114.8(10) . . ?
N35 C101 C102 119.9(10) . . ?
N34 C101 C102 124.6(11) . . ?
C103 C102 C101 118.3(12) . . ?
C104 C103 C102 121.5(12) . . ?
C105 C104 C103 119.1(11) . . ?
C104 C105 N35 121.7(12) . . ?
C107 C106 N36 123.6(11) . . ?
C106 C107 C108 119.1(10) . . ?
C107 C108 C109 117.4(10) . . ?
C110 C109 C108 120.5(11) . . ?
N36 C110 N37 114.6(9) . . ?
N36 C110 C109 121.4(10) . . ?
N37 C110 C109 123.6(10) . . ?
N38 C111 N37 114.6(8) . . ?
N38 C111 C112 119.9(9) . . ?
N37 C111 C112 125.3(9) . . ?
C113 C112 C111 118.3(10) . . ?
C114 C113 C112 122.4(10) . . ?
C113 C114 C115 118.5(10) . . ?
N38 C115 N39 114.7(9) . . ?
N38 C115 C114 120.1(10) . . ?
N39 C115 C114 125.1(10) . . ?
N39 C116 N40 114.2(10) . . ?
N39 C116 C117 123.0(10) . . ?
N40 C116 C117 122.4(10) . . ?
C116 C117 C118 118.2(11) . . ?
C119 C118 C117 118.7(12) . . ?
C120 C119 C118 120.2(11) . . ?
N40 C120 C119 122.8(11) . . ?
O8' Cl6 O7 55.9(15) . . ?
O8' Cl6 O6 124.8(14) . . ?
O7 Cl6 O6 120.5(12) . . ?
O8' Cl6 O5 118.4(13) . . ?
O7 Cl6 O5 113.4(11) . . ?
O6 Cl6 O5 112.1(8) . . ?
O8' Cl6 O8 50.6(14) . . ?
O7 Cl6 O8 106.4(15) . . ?
O6 Cl6 O8 99.0(11) . . ?
O5 Cl6 O8 102.3(10) . . ?
O8' Cl6 O7' 96.4(16) . . ?
O7 Cl6 O7' 40.6(13) . . ?
O6 Cl6 O7' 97.3(12) . . ?
O5 Cl6 O7' 98.1(12) . . ?
O8 Cl6 O7' 146.6(14) . . ?
Cl8 C121 Cl7 115.7(14) . . ?
Cl10 C122 Cl9 113.9(7) . . ?
Cl12 C123 Cl11 112.4(10) . . ?
Cl14 C124 Cl13 110.6(9) . . ?
Cl16 C125 Cl15 115.0(14) . . ?
Cl18 C126 Cl17 102.9(8) . . ?
C126 Cl17 Cl18 38.4(5) . . ?
C126 Cl18 Cl17 38.7(5) . . ?
Cl20 C127 Cl19 112.3(18) . . ?
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 N11 1.977(8) . ?
Co1 N1 1.984(8) . ?
Co1 N6 1.995(8) . ?
Co1 N16 1.998(8) . ?
Co1 Co2 2.2996(19) . ?
Co1 Cl1 2.416(3) . ?
Co2 N17 1.877(7) . ?
Co2 N2 1.905(8) . ?
Co2 N12 1.911(8) . ?
Co2 N7 1.911(7) . ?
Co2 Co3 2.2460(18) . ?
Co3 N18 1.915(7) . ?
Co3 N3 1.924(8) . ?
Co3 N13 1.924(7) . ?
Co3 N8 1.942(7) . ?
Co3 Co4 2.2439(18) . ?
Co4 N19 1.894(7) . ?
Co4 N4 1.902(8) . ?
Co4 N14 1.898(7) . ?
Co4 N9 1.909(8) . ?
Co4 Co5 2.2852(19) . ?
Co5 N20 1.976(8) . ?
Co5 N10 1.976(8) . ?
Co5 N5 1.995(9) . ?
Co5 N15 2.001(7) . ?
Co5 Cl2 2.408(3) . ?
N1 C1 1.362(12) . ?
N1 C5 1.385(13) . ?
N2 C5 1.365(12) . ?
N2 C6 1.382(13) . ?
N3 C6 1.346(13) . ?
N3 C10 1.348(13) . ?
N4 C11 1.380(13) . ?
N4 C10 1.396(13) . ?
N5 C15 1.361(12) . ?
N5 C11 1.363(14) . ?
N6 C20 1.314(14) . ?
N6 C16 1.361(13) . ?
N7 C20 1.373(12) . ?
N7 C21 1.388(12) . ?
N8 C21 1.352(12) . ?
N8 C25 1.357(13) . ?
N9 C26 1.367(12) . ?
N9 C25 1.369(12) . ?
N10 C30 1.335(13) . ?
N10 C26 1.384(13) . ?
N11 C31 1.323(13) . ?
N11 C35 1.402(14) . ?
N12 C36 1.372(13) . ?
N12 C35 1.368(13) . ?
N13 C40 1.365(12) . ?
N13 C36 1.365(12) . ?
N14 C40 1.364(12) . ?
N14 C41 1.392(12) . ?
N15 C41 1.348(12) . ?
N15 C45 1.386(13) . ?
N16 C46 1.360(13) . ?
N16 C50 1.361(13) . ?
N17 C50 1.371(13) . ?
N17 C51 1.413(12) . ?
N18 C55 1.344(13) . ?
N18 C51 1.362(13) . ?
N19 C55 1.374(13) . ?
N19 C56 1.381(12) . ?
N20 C60 1.357(13) . ?
N20 C56 1.359(13) . ?
C1 C2 1.379(15) . ?
C2 C3 1.345(17) . ?
C3 C4 1.368(16) . ?
C4 C5 1.433(14) . ?
C6 C7 1.407(14) . ?
C7 C8 1.374(16) . ?
C8 C9 1.410(16) . ?
C9 C10 1.412(14) . ?
C11 C12 1.392(16) . ?
C12 C13 1.340(15) . ?
C13 C14 1.424(17) . ?
C14 C15 1.367(16) . ?
C16 C17 1.391(17) . ?
C17 C18 1.390(18) . ?
C18 C19 1.359(16) . ?
C19 C20 1.444(14) . ?
C21 C22 1.383(14) . ?
C22 C23 1.361(15) . ?
C23 C24 1.373(14) . ?
C24 C25 1.410(14) . ?
C26 C27 1.391(14) . ?
C27 C28 1.377(15) . ?
C28 C29 1.407(17) . ?
C29 C30 1.358(16) . ?
C31 C32 1.400(16) . ?
C32 C33 1.396(17) . ?
C33 C34 1.336(17) . ?
C34 C35 1.417(15) . ?
C36 C37 1.393(13) . ?
C37 C38 1.364(15) . ?
C38 C39 1.383(15) . ?
C39 C40 1.429(12) . ?
C41 C42 1.414(13) . ?
C42 C43 1.318(15) . ?
C43 C44 1.414(15) . ?
C44 C45 1.353(15) . ?
C46 C47 1.367(15) . ?
C47 C48 1.392(16) . ?
C48 C49 1.383(15) . ?
C49 C50 1.401(15) . ?
C51 C52 1.397(13) . ?
C52 C53 1.369(15) . ?
C53 C54 1.376(16) . ?
C54 C55 1.413(13) . ?
C56 C57 1.417(13) . ?
C57 C58 1.355(14) . ?
C58 C59 1.408(16) . ?
C59 C60 1.349(15) . ?
Cl5 O3' 1.397(10) . ?
Cl5 O4 1.399(10) . ?
Cl5 O3 1.417(10) . ?
Cl5 O1 1.415(7) . ?
Cl5 O2 1.409(10) . ?
Cl5 O4' 1.415(10) . ?
Co6 N21 1.977(8) . ?
Co6 N31 1.993(8) . ?
Co6 N26 1.991(8) . ?
Co6 N36 1.995(9) . ?
Co6 Co7 2.2912(19) . ?
Co6 Cl3 2.437(3) . ?
Co7 N27 1.890(7) . ?
Co7 N22 1.900(7) . ?
Co7 N32 1.906(8) . ?
Co7 N37 1.904(8) . ?
Co7 Co8 2.2291(19) . ?
Co8 N38 1.909(8) . ?
Co8 N23 1.914(8) . ?
Co8 N28 1.930(8) . ?
Co8 N33 1.923(8) . ?
Co8 Co9 2.2420(19) . ?
Co9 N34 1.884(8) . ?
Co9 N24 1.885(9) . ?
Co9 N39 1.900(9) . ?
Co9 N29 1.910(9) . ?
Co9 Co10 2.286(2) . ?
Co10 N40 1.961(10) . ?
Co10 N35 1.972(10) . ?
Co10 N30 1.973(9) . ?
Co10 N25 1.997(10) . ?
Co10 Cl4 2.419(3) . ?
N21 C61 1.342(13) . ?
N21 C65 1.380(13) . ?
N22 C65 1.357(13) . ?
N22 C66 1.374(13) . ?
N23 C70 1.365(13) . ?
N23 C66 1.366(12) . ?
N24 C71 1.376(15) . ?
N24 C70 1.400(14) . ?
N25 C71 1.351(15) . ?
N25 C75 1.360(15) . ?
N26 C80 1.337(14) . ?
N26 C76 1.346(14) . ?
N27 C81 1.378(13) . ?
N27 C80 1.393(13) . ?
N28 C81 1.349(13) . ?
N28 C85 1.372(13) . ?
N29 C86 1.346(13) . ?
N29 C85 1.367(13) . ?
N30 C90 1.344(14) . ?
N30 C86 1.407(14) . ?
N31 C95 1.360(14) . ?
N31 C91 1.364(13) . ?
N32 C96 1.392(13) . ?
N32 C95 1.389(13) . ?
N33 C96 1.362(13) . ?
N33 C100 1.371(12) . ?
N34 C101 1.367(13) . ?
N34 C100 1.374(14) . ?
N35 C101 1.344(15) . ?
N35 C105 1.404(15) . ?
N36 C110 1.338(13) . ?
N36 C106 1.370(13) . ?
N37 C110 1.380(13) . ?
N37 C111 1.389(13) . ?
N38 C115 1.359(14) . ?
N38 C111 1.369(13) . ?
N39 C116 1.368(14) . ?
N39 C115 1.358(13) . ?
N40 C120 1.368(14) . ?
N40 C116 1.395(14) . ?
C61 C62 1.351(15) . ?
C62 C63 1.408(16) . ?
C63 C64 1.363(16) . ?
C64 C65 1.398(14) . ?
C66 C67 1.410(14) . ?
C67 C68 1.375(15) . ?
C68 C69 1.408(16) . ?
C69 C70 1.378(14) . ?
C71 C72 1.424(17) . ?
C72 C73 1.350(17) . ?
C73 C74 1.396(18) . ?
C74 C75 1.343(19) . ?
C76 C77 1.366(15) . ?
C77 C78 1.369(16) . ?
C78 C79 1.368(15) . ?
C79 C80 1.402(14) . ?
C81 C82 1.403(13) . ?
C82 C83 1.401(16) . ?
C83 C84 1.393(16) . ?
C84 C85 1.389(14) . ?
C86 C87 1.422(16) . ?
C87 C88 1.378(16) . ?
C88 C89 1.355(19) . ?
C89 C90 1.384(17) . ?
C91 C92 1.381(16) . ?
C92 C93 1.372(18) . ?
C93 C94 1.348(15) . ?
C94 C95 1.428(15) . ?
C96 C97 1.382(14) . ?
C97 C98 1.393(15) . ?
C98 C99 1.360(16) . ?
C99 C100 1.426(14) . ?
C101 C102 1.411(15) . ?
C102 C103 1.397(17) . ?
C103 C104 1.349(19) . ?
C104 C105 1.353(18) . ?
C106 C107 1.361(16) . ?
C107 C108 1.386(16) . ?
C108 C109 1.408(15) . ?
C109 C110 1.381(15) . ?
C111 C112 1.422(13) . ?
C112 C113 1.368(16) . ?
C113 C114 1.355(16) . ?
C114 C115 1.425(15) . ?
C116 C117 1.420(16) . ?
C117 C118 1.420(17) . ?
C118 C119 1.410(18) . ?
C119 C120 1.389(17) . ?
Cl6 O8' 1.372(11) . ?
Cl6 O7 1.390(10) . ?
Cl6 O6 1.403(8) . ?
Cl6 O5 1.418(8) . ?
Cl6 O8 1.433(10) . ?
Cl6 O7' 1.437(11) . ?
C121 Cl8 1.66(3) . ?
C121 Cl7 1.74(2) . ?
C122 Cl10 1.734(16) . ?
C122 Cl9 1.731(15) . ?
C123 Cl12 1.746(19) . ?
C123 Cl11 1.786(18) . ?
C124 Cl14 1.712(17) . ?
C124 Cl13 1.793(17) . ?
C125 Cl16 1.752(11) . ?
C125 Cl15 1.761(11) . ?
C126 Cl18 1.696(13) . ?
C126 Cl17 1.709(12) . ?
Cl17 Cl18 2.663(11) . ?
C127 Cl20 1.672(11) . ?
C127 Cl19 1.682(11) . ?
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1 PubChem 139154586
