#------------------------------------------------------------------------------
#$Date: 2023-05-09 11:58:44 +0300 (Tue, 09 May 2023) $
#$Revision: 283625 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/71/8107152.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_8107152
loop_
_publ_author_name
'Zhang, Ting-Ting'
'Li, Guan-Nan'
'Nie, Feng-Mei'
_publ_section_title
;
 Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ3
 N](isonicotinate-\kO) cobalt(II) [tris(2-benzimidazolylmethyl)amine-κ3
 N](isonicotinic acid-\kO) cobalt(II) triperchlorate, C60H51N16O16Cl3Co2
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1223
_journal_page_last               1227
_journal_paper_doi               10.1515/ncrs-2016-0142
_journal_volume                  231
_journal_year                    2016
_chemical_formula_sum            'C60 H51 Cl3 Co2 N16 O16'
_chemical_formula_weight         1476.38
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 105.113(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.652(4)
_cell_length_b                   14.1314(16)
_cell_length_c                   25.141(3)
_cell_measurement_reflns_used    29510
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.00
_cell_volume                     12228(2)
_computing_cell_refinement       'Crystal Clear (Rigaku Inc., 2008)'
_computing_data_collection       'Crystal Clear (Rigaku Inc., 2008)'
_computing_data_reduction        'Crystal Clear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0621
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            94380
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_T_max  0.9279
_exptl_absorpt_correction_T_min  0.7026
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6048
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.538
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1815
_refine_ls_number_reflns         27610
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0651
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0716P)²+18.8600P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1501
_refine_ls_wR_factor_ref         0.1663
_reflns_number_gt                21014
_reflns_number_total             27610
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2016-0142_suppl.cif
_cod_data_source_block           bo711
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_cell_volume        12228(3)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               8107152
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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 0.530264(12) 0.25683(3) 0.418056(18) 0.01648(10) Uani 1 1 d . . .
Co2 Co 0.203987(12) 0.24756(3) -0.178527(17) 0.01583(10) Uani 1 1 d . . .
Co3 Co 1.024726(12) 0.27197(3) 0.922851(17) 0.01591(10) Uani 1 1 d . . .
Co4 Co 0.709264(13) 0.25167(3) 0.317239(18) 0.01725(10) Uani 1 1 d . . .
O1 O 0.48454(7) 0.24273(16) 0.35326(9) 0.0215(5) Uani 1 1 d . . .
O2 O 0.52284(7) 0.31550(17) 0.30981(10) 0.0252(5) Uani 1 1 d . . .
O3 O 0.24983(7) 0.25994(17) -0.11454(9) 0.0219(5) Uani 1 1 d . . .
O4 O 0.21395(7) 0.20554(19) -0.06068(10) 0.0294(6) Uani 1 1 d . . .
O5 O 0.97922(7) 0.26027(16) 0.85853(10) 0.0216(5) Uani 1 1 d . . .
O6 O 1.01725(7) 0.31881(18) 0.80908(10) 0.0275(6) Uani 1 1 d . . .
O7 O 0.75302(7) 0.27675(17) 0.38349(9) 0.0224(5) Uani 1 1 d . . .
O8 O 0.71658(7) 0.19244(18) 0.42534(10) 0.0267(6) Uani 1 1 d . . .
N1 N 0.58401(8) 0.2654(2) 0.50008(11) 0.0201(6) Uani 1 1 d . . .
N2 N 0.53112(8) 0.3963(2) 0.44320(11) 0.0197(6) Uani 1 1 d . . .
N3 N 0.55581(8) 0.5149(2) 0.49911(12) 0.0246(6) Uani 1 1 d . . .
H3 H 0.5700 0.5451 0.5280 0.029 Uiso 1 1 calc R . .
N4 N 0.57600(8) 0.18676(19) 0.39968(11) 0.0183(6) Uani 1 1 d . . .
N5 N 0.63847(8) 0.1485(2) 0.41654(12) 0.0214(6) Uani 1 1 d . . .
H5N H 0.6636 0.1480 0.4326 0.026 Uiso 1 1 calc R . .
N6 N 0.51346(8) 0.17783(19) 0.47547(11) 0.0184(6) Uani 1 1 d . . .
N7 N 0.52422(9) 0.1007(2) 0.55454(12) 0.0233(6) Uani 1 1 d . . .
H7N H 0.5369 0.0768 0.5865 0.028 Uiso 1 1 calc R . .
N8 N 0.40332(8) 0.2503(2) 0.15902(12) 0.0239(6) Uani 1 1 d . . .
N9 N 0.15299(8) 0.23831(19) -0.26182(12) 0.0198(6) Uani 1 1 d . . .
N10 N 0.22457(8) 0.31981(19) -0.23508(11) 0.0179(6) Uani 1 1 d . . .
N11 N 0.21586(8) 0.3992(2) -0.31330(11) 0.0210(6) Uani 1 1 d . . .
H11N H 0.2041 0.4241 -0.3454 0.025 Uiso 1 1 calc R . .
N12 N 0.20274(8) 0.1076(2) -0.20016(12) 0.0212(6) Uani 1 1 d . . .
N13 N 0.18540(8) -0.0100(2) -0.26005(12) 0.0247(6) Uani 1 1 d . . .
H13N H 0.1738 -0.0400 -0.2905 0.030 Uiso 1 1 calc R . .
N14 N 0.15783(8) 0.31829(19) -0.16266(11) 0.0167(5) Uani 1 1 d . . .
N15 N 0.09550(8) 0.3611(2) -0.18508(11) 0.0209(6) Uani 1 1 d . . .
H15N H 0.0707 0.3625 -0.2028 0.025 Uiso 1 1 calc R . .
N16 N 0.34345(9) 0.2544(2) 0.06934(12) 0.0243(6) Uani 1 1 d D . .
N17 N 1.07628(8) 0.28492(19) 1.00641(11) 0.0193(6) Uani 1 1 d . . .
N18 N 1.07162(8) 0.20587(19) 0.90694(11) 0.0174(6) Uani 1 1 d . . .
N19 N 1.13429(8) 0.1698(2) 0.92739(11) 0.0204(6) Uani 1 1 d . . .
H19N H 1.1592 0.1707 0.9444 0.024 Uiso 1 1 calc R . .
N20 N 1.00768(8) 0.18710(19) 0.97758(11) 0.0176(6) Uani 1 1 d . . .
N21 N 1.01811(9) 0.1057(2) 1.05542(12) 0.0228(6) Uani 1 1 d . . .
H21N H 1.0304 0.0823 1.0877 0.027 Uiso 1 1 calc R . .
N22 N 1.02591(8) 0.41301(19) 0.94368(11) 0.0188(6) Uani 1 1 d . . .
N23 N 1.05094(8) 0.5347(2) 0.99698(12) 0.0208(6) Uani 1 1 d . . .
H23N H 1.0645 0.5663 1.0257 0.025 Uiso 1 1 calc R . .
N24 N 0.89196(10) 0.2606(2) 0.66828(13) 0.0316(8) Uani 1 1 d . . .
N25 N 0.65823(8) 0.2382(2) 0.23403(12) 0.0207(6) Uani 1 1 d . . .
N26 N 0.72788(8) 0.32604(19) 0.25983(11) 0.0200(6) Uani 1 1 d . . .
N27 N 0.71784(8) 0.4061(2) 0.18123(11) 0.0213(6) Uani 1 1 d . . .
H27N H 0.7055 0.4308 0.1493 0.026 Uiso 1 1 calc R . .
N28 N 0.71078(8) 0.1121(2) 0.29600(12) 0.0215(6) Uani 1 1 d . . .
N29 N 0.69318(9) -0.0076(2) 0.23789(13) 0.0269(7) Uani 1 1 d . . .
H29N H 0.6813 -0.0388 0.2079 0.032 Uiso 1 1 calc R . .
N30 N 0.66238(8) 0.3185(2) 0.33262(11) 0.0201(6) Uani 1 1 d . . .
N31 N 0.59918(8) 0.3496(2) 0.31319(12) 0.0230(6) Uani 1 1 d . . .
H31N H 0.5742 0.3466 0.2966 0.028 Uiso 1 1 calc R . .
N32 N 0.83372(9) 0.2600(2) 0.57584(13) 0.0256(7) Uani 1 1 d D . .
C1 C 0.57919(10) 0.3521(2) 0.53002(13) 0.0237(7) Uani 1 1 d . . .
H1A H 0.6049 0.3796 0.5478 0.028 Uiso 1 1 calc R . .
H1B H 0.5660 0.3370 0.5591 0.028 Uiso 1 1 calc R . .
C2 C 0.55560(10) 0.4211(2) 0.49032(14) 0.0216(7) Uani 1 1 d . . .
C3 C 0.52949(10) 0.5555(2) 0.45434(14) 0.0227(7) Uani 1 1 d . . .
C4 C 0.51959(11) 0.6494(3) 0.44153(17) 0.0303(8) Uani 1 1 d . . .
H4 H 0.5307 0.6999 0.4654 0.036 Uiso 1 1 calc R . .
C5 C 0.49252(12) 0.6649(3) 0.39171(17) 0.0329(9) Uani 1 1 d . . .
H5 H 0.4854 0.7280 0.3804 0.039 Uiso 1 1 calc R . .
C6 C 0.47537(12) 0.5896(3) 0.35751(16) 0.0307(8) Uani 1 1 d . . .
H6 H 0.4562 0.6032 0.3243 0.037 Uiso 1 1 calc R . .
C7 C 0.48536(10) 0.4970(3) 0.37040(15) 0.0259(8) Uani 1 1 d . . .
H7 H 0.4736 0.4467 0.3468 0.031 Uiso 1 1 calc R . .
C8 C 0.51363(10) 0.4798(2) 0.41975(14) 0.0205(7) Uani 1 1 d . . .
C9 C 0.61900(9) 0.2680(2) 0.47901(14) 0.0209(7) Uani 1 1 d . . .
H9A H 0.6422 0.2482 0.5080 0.025 Uiso 1 1 calc R . .
H9B H 0.6234 0.3328 0.4669 0.025 Uiso 1 1 calc R . .
C10 C 0.61157(9) 0.2010(2) 0.43162(14) 0.0195(7) Uani 1 1 d . . .
C11 C 0.61951(10) 0.0950(2) 0.37108(14) 0.0215(7) Uani 1 1 d . . .
C12 C 0.63267(11) 0.0272(2) 0.34037(16) 0.0275(8) Uani 1 1 d . . .
H12 H 0.6593 0.0093 0.3486 0.033 Uiso 1 1 calc R . .
C13 C 0.60510(11) -0.0130(2) 0.29713(15) 0.0279(8) Uani 1 1 d . . .
H13 H 0.6129 -0.0590 0.2746 0.033 Uiso 1 1 calc R . .
C14 C 0.56578(11) 0.0130(2) 0.28595(15) 0.0274(8) Uani 1 1 d . . .
H14 H 0.5476 -0.0159 0.2559 0.033 Uiso 1 1 calc R . .
C15 C 0.55272(10) 0.0786(2) 0.31702(14) 0.0228(7) Uani 1 1 d . . .
H15 H 0.5260 0.0951 0.3092 0.027 Uiso 1 1 calc R . .
C16 C 0.58016(9) 0.1202(2) 0.36050(13) 0.0183(7) Uani 1 1 d . . .
C17 C 0.58167(10) 0.1783(2) 0.53124(14) 0.0241(7) Uani 1 1 d . . .
H17A H 0.5931 0.1890 0.5711 0.029 Uiso 1 1 calc R . .
H17B H 0.5962 0.1266 0.5190 0.029 Uiso 1 1 calc R . .
C18 C 0.53968(10) 0.1520(2) 0.52082(13) 0.0198(7) Uani 1 1 d . . .
C19 C 0.48482(10) 0.0919(2) 0.53014(14) 0.0219(7) Uani 1 1 d . . .
C20 C 0.45509(11) 0.0495(3) 0.54822(16) 0.0280(8) Uani 1 1 d . . .
H20 H 0.4599 0.0166 0.5823 0.034 Uiso 1 1 calc R . .
C21 C 0.41802(11) 0.0583(3) 0.51344(17) 0.0312(9) Uani 1 1 d . . .
H21 H 0.3967 0.0320 0.5244 0.037 Uiso 1 1 calc R . .
C22 C 0.41116(10) 0.1047(3) 0.46273(16) 0.0287(8) Uani 1 1 d . . .
H22 H 0.3854 0.1074 0.4397 0.034 Uiso 1 1 calc R . .
C23 C 0.44096(10) 0.1470(2) 0.44519(15) 0.0231(7) Uani 1 1 d . . .
H23 H 0.4361 0.1792 0.4109 0.028 Uiso 1 1 calc R . .
C24 C 0.47832(10) 0.1404(2) 0.47994(14) 0.0189(7) Uani 1 1 d . . .
C25 C 0.49209(9) 0.2746(2) 0.31007(13) 0.0195(7) Uani 1 1 d . . .
C26 C 0.43786(10) 0.2867(3) 0.15952(14) 0.0253(7) Uani 1 1 d . . .
H26 H 0.4423 0.3087 0.1260 0.030 Uiso 1 1 calc R . .
C27 C 0.46761(10) 0.2933(3) 0.20760(14) 0.0234(7) Uani 1 1 d . . .
H27A H 0.4921 0.3189 0.2068 0.028 Uiso 1 1 calc R . .
C28 C 0.46126(9) 0.2625(2) 0.25659(13) 0.0177(6) Uani 1 1 d . . .
C29 C 0.42538(10) 0.2236(3) 0.25570(14) 0.0252(8) Uani 1 1 d . . .
H29 H 0.4203 0.2009 0.2887 0.030 Uiso 1 1 calc R . .
C30 C 0.39711(10) 0.2183(3) 0.20622(15) 0.0280(8) Uani 1 1 d . . .
H30 H 0.3726 0.1913 0.2057 0.034 Uiso 1 1 calc R . .
C31 C 0.15700(10) 0.3244(2) -0.29317(13) 0.0215(7) Uani 1 1 d . . .
H31A H 0.1424 0.3774 -0.2823 0.026 Uiso 1 1 calc R . .
H31B H 0.1465 0.3130 -0.3331 0.026 Uiso 1 1 calc R . .
C32 C 0.19916(9) 0.3482(2) -0.28073(13) 0.0182(6) Uani 1 1 d . . .
C33 C 0.25508(10) 0.4056(2) -0.28716(14) 0.0209(7) Uani 1 1 d . . .
C34 C 0.28575(11) 0.4481(2) -0.30290(15) 0.0253(8) Uani 1 1 d . . .
H34 H 0.2820 0.4819 -0.3366 0.030 Uiso 1 1 calc R . .
C35 C 0.32220(10) 0.4383(2) -0.26629(15) 0.0260(8) Uani 1 1 d . . .
H35 H 0.3441 0.4655 -0.2754 0.031 Uiso 1 1 calc R . .
C36 C 0.32768(10) 0.3892(2) -0.21625(15) 0.0255(8) Uani 1 1 d . . .
H36 H 0.3531 0.3849 -0.1923 0.031 Uiso 1 1 calc R . .
C37 C 0.29699(10) 0.3470(2) -0.20085(15) 0.0226(7) Uani 1 1 d . . .
H37 H 0.3007 0.3139 -0.1670 0.027 Uiso 1 1 calc R . .
C38 C 0.26045(9) 0.3555(2) -0.23757(13) 0.0179(6) Uani 1 1 d . . .
C39 C 0.15877(10) 0.1515(2) -0.29039(14) 0.0236(7) Uani 1 1 d . . .
H39A H 0.1726 0.1663 -0.3188 0.028 Uiso 1 1 calc R . .
H39B H 0.1333 0.1235 -0.3090 0.028 Uiso 1 1 calc R . .
C40 C 0.18188(10) 0.0827(2) -0.25008(14) 0.0221(7) Uani 1 1 d . . .
C41 C 0.21028(10) -0.0495(3) -0.21428(16) 0.0256(8) Uani 1 1 d . . .
C42 C 0.22347(11) -0.1416(3) -0.20200(17) 0.0305(8) Uani 1 1 d . . .
H42 H 0.2158 -0.1915 -0.2279 0.037 Uiso 1 1 calc R . .
C43 C 0.24834(12) -0.1572(3) -0.15027(18) 0.0337(9) Uani 1 1 d . . .
H43 H 0.2581 -0.2191 -0.1404 0.040 Uiso 1 1 calc R . .
C44 C 0.25930(12) -0.0830(3) -0.11238(17) 0.0349(9) Uani 1 1 d . . .
H44 H 0.2763 -0.0961 -0.0773 0.042 Uiso 1 1 calc R . .
C45 C 0.24630(11) 0.0078(3) -0.12429(16) 0.0297(8) Uani 1 1 d . . .
H45 H 0.2540 0.0574 -0.0982 0.036 Uiso 1 1 calc R . .
C46 C 0.22131(10) 0.0246(2) -0.17614(15) 0.0223(7) Uani 1 1 d . . .
C47 C 0.11692(9) 0.2384(2) -0.24389(14) 0.0204(7) Uani 1 1 d . . .
H47A H 0.1114 0.1742 -0.2321 0.024 Uiso 1 1 calc R . .
H47B H 0.0947 0.2589 -0.2743 0.024 Uiso 1 1 calc R . .
C48 C 0.12312(9) 0.3059(2) -0.19696(13) 0.0186(7) Uani 1 1 d . . .
C49 C 0.11366(9) 0.4153(2) -0.13966(13) 0.0197(7) Uani 1 1 d . . .
C50 C 0.09973(11) 0.4876(2) -0.11246(15) 0.0253(8) Uani 1 1 d . . .
H50 H 0.0735 0.5084 -0.1240 0.030 Uiso 1 1 calc R . .
C51 C 0.12608(11) 0.5277(3) -0.06769(16) 0.0275(8) Uani 1 1 d . . .
H51 H 0.1178 0.5766 -0.0475 0.033 Uiso 1 1 calc R . .
C52 C 0.16508(11) 0.4970(2) -0.05149(15) 0.0261(8) Uani 1 1 d . . .
H52 H 0.1822 0.5249 -0.0200 0.031 Uiso 1 1 calc R . .
C53 C 0.17900(10) 0.4280(2) -0.07988(14) 0.0214(7) Uani 1 1 d . . .
H53 H 0.2055 0.4090 -0.0691 0.026 Uiso 1 1 calc R . .
C54 C 0.15272(9) 0.3868(2) -0.12520(13) 0.0184(7) Uani 1 1 d . . .
C55 C 0.24451(10) 0.2363(2) -0.06802(14) 0.0209(7) Uani 1 1 d . . .
C56 C 0.34850(10) 0.2519(2) 0.01845(14) 0.0232(7) Uani 1 1 d . . .
H56 H 0.3740 0.2532 0.0136 0.028 Uiso 1 1 calc R . .
C57 C 0.31677(10) 0.2475(2) -0.02736(14) 0.0233(7) Uani 1 1 d . . .
H57 H 0.3204 0.2465 -0.0635 0.028 Uiso 1 1 calc R . .
C58 C 0.27982(9) 0.2446(2) -0.01950(14) 0.0194(7) Uani 1 1 d . . .
C59 C 0.27546(10) 0.2476(3) 0.03381(15) 0.0276(8) Uani 1 1 d . . .
H59 H 0.2503 0.2460 0.0400 0.033 Uiso 1 1 calc R . .
C60 C 0.30783(11) 0.2528(3) 0.07741(15) 0.0309(9) Uani 1 1 d . . .
H60 H 0.3049 0.2552 0.1139 0.037 Uiso 1 1 calc R . .
C61 C 1.11203(9) 0.2885(2) 0.98732(14) 0.0211(7) Uani 1 1 d . . .
H61A H 1.1348 0.2698 1.0174 0.025 Uiso 1 1 calc R . .
H61B H 1.1164 0.3534 0.9754 0.025 Uiso 1 1 calc R . .
C62 C 1.10675(9) 0.2215(2) 0.94036(13) 0.0176(6) Uani 1 1 d . . .
C63 C 1.11663(10) 0.1141(2) 0.88222(14) 0.0207(7) Uani 1 1 d . . .
C64 C 1.13114(11) 0.0442(3) 0.85452(15) 0.0265(8) Uani 1 1 d . . .
H64 H 1.1578 0.0265 0.8648 0.032 Uiso 1 1 calc R . .
C65 C 1.10453(11) 0.0015(3) 0.81100(15) 0.0273(8) Uani 1 1 d . . .
H65 H 1.1133 -0.0459 0.7903 0.033 Uiso 1 1 calc R . .
C66 C 1.06481(11) 0.0264(2) 0.79651(15) 0.0252(8) Uani 1 1 d . . .
H66 H 1.0475 -0.0045 0.7663 0.030 Uiso 1 1 calc R . .
C67 C 1.05067(10) 0.0948(2) 0.82542(14) 0.0212(7) Uani 1 1 d . . .
H67 H 1.0239 0.1112 0.8160 0.025 Uiso 1 1 calc R . .
C68 C 1.07722(9) 0.1389(2) 0.86908(13) 0.0188(7) Uani 1 1 d . . .
C69 C 1.07419(10) 0.1984(2) 1.03861(14) 0.0223(7) Uani 1 1 d . . .
H69A H 1.0830 0.2125 1.0785 0.027 Uiso 1 1 calc R . .
H69B H 1.0914 0.1490 1.0300 0.027 Uiso 1 1 calc R . .
C70 C 1.03322(10) 0.1641(2) 1.02429(13) 0.0183(7) Uani 1 1 d . . .
C71 C 0.97974(10) 0.0889(2) 1.02778(15) 0.0229(7) Uani 1 1 d . . .
C72 C 0.95049(11) 0.0374(2) 1.04198(16) 0.0283(8) Uani 1 1 d . . .
H72 H 0.9549 0.0036 1.0757 0.034 Uiso 1 1 calc R . .
C73 C 0.91452(11) 0.0387(2) 1.00395(17) 0.0293(8) Uani 1 1 d . . .
H73 H 0.8937 0.0043 1.0118 0.035 Uiso 1 1 calc R . .
C74 C 0.90772(10) 0.0890(3) 0.95408(17) 0.0279(8) Uani 1 1 d . . .
H74 H 0.8826 0.0874 0.9291 0.033 Uiso 1 1 calc R . .
C75 C 0.93700(10) 0.1410(2) 0.94058(15) 0.0226(7) Uani 1 1 d . . .
H75 H 0.9325 0.1754 0.9071 0.027 Uiso 1 1 calc R . .
C76 C 0.97328(10) 0.1402(2) 0.97848(14) 0.0198(7) Uani 1 1 d . . .
C77 C 1.06978(10) 0.3721(2) 1.03416(13) 0.0216(7) Uani 1 1 d . . .
H77A H 1.0949 0.3991 1.0551 0.026 Uiso 1 1 calc R . .
H77B H 1.0539 0.3587 1.0603 0.026 Uiso 1 1 calc R . .
C78 C 1.04919(9) 0.4400(2) 0.99139(13) 0.0188(7) Uani 1 1 d . . .
C79 C 1.02745(10) 0.5733(2) 0.94918(14) 0.0198(7) Uani 1 1 d . . .
C80 C 1.02072(11) 0.6673(3) 0.93201(15) 0.0257(8) Uani 1 1 d . . .
H80 H 1.0327 0.7188 0.9544 0.031 Uiso 1 1 calc R . .
C81 C 0.99548(11) 0.6807(3) 0.88030(15) 0.0269(8) Uani 1 1 d . . .
H81 H 0.9899 0.7433 0.8667 0.032 Uiso 1 1 calc R . .
C82 C 0.97803(11) 0.6044(3) 0.84773(15) 0.0291(8) Uani 1 1 d . . .
H82 H 0.9606 0.6166 0.8128 0.035 Uiso 1 1 calc R . .
C83 C 0.98543(11) 0.5116(3) 0.86482(14) 0.0265(8) Uani 1 1 d . . .
H83 H 0.9734 0.4602 0.8425 0.032 Uiso 1 1 calc R . .
C84 C 1.01130(10) 0.4968(2) 0.91618(13) 0.0198(7) Uani 1 1 d . . .
C85 C 0.98630(9) 0.2860(2) 0.81347(14) 0.0193(7) Uani 1 1 d . . .
C86 C 0.88614(11) 0.2488(3) 0.71797(16) 0.0366(10) Uani 1 1 d . . .
H86 H 0.8606 0.2350 0.7204 0.044 Uiso 1 1 calc R . .
C87 C 0.91544(11) 0.2557(3) 0.76637(16) 0.0336(9) Uani 1 1 d . . .
H87 H 0.9102 0.2472 0.8012 0.040 Uiso 1 1 calc R . .
C88 C 0.95271(10) 0.2752(2) 0.76241(14) 0.0207(7) Uani 1 1 d . . .
C89 C 0.95884(11) 0.2885(3) 0.71080(15) 0.0296(8) Uani 1 1 d . . .
H89 H 0.9840 0.3033 0.7071 0.036 Uiso 1 1 calc R . .
C90 C 0.92791(12) 0.2799(3) 0.66489(16) 0.0360(9) Uani 1 1 d . . .
H90 H 0.9323 0.2879 0.6295 0.043 Uiso 1 1 calc R . .
C91 C 0.66038(10) 0.3251(2) 0.20288(14) 0.0234(7) Uani 1 1 d . . .
H91A H 0.6452 0.3761 0.2144 0.028 Uiso 1 1 calc R . .
H91B H 0.6495 0.3137 0.1630 0.028 Uiso 1 1 calc R . .
C92 C 0.70221(10) 0.3531(2) 0.21434(13) 0.0191(7) Uani 1 1 d . . .
C93 C 0.75727(10) 0.4146(2) 0.20690(14) 0.0202(7) Uani 1 1 d . . .
C94 C 0.78750(10) 0.4576(2) 0.19088(15) 0.0235(7) Uani 1 1 d . . .
H94 H 0.7833 0.4910 0.1571 0.028 Uiso 1 1 calc R . .
C95 C 0.82415(11) 0.4493(3) 0.22665(15) 0.0262(8) Uani 1 1 d . . .
H95 H 0.8458 0.4768 0.2169 0.031 Uiso 1 1 calc R . .
C96 C 0.83012(10) 0.4009(2) 0.27731(15) 0.0245(7) Uani 1 1 d . . .
H96 H 0.8555 0.3986 0.3014 0.029 Uiso 1 1 calc R . .
C97 C 0.79996(10) 0.3569(2) 0.29273(14) 0.0206(7) Uani 1 1 d . . .
H97 H 0.8042 0.3233 0.3265 0.025 Uiso 1 1 calc R . .
C98 C 0.76314(9) 0.3640(2) 0.25665(13) 0.0176(6) Uani 1 1 d . . .
C99 C 0.66584(11) 0.1523(3) 0.20567(14) 0.0256(8) Uani 1 1 d . . .
H99A H 0.6799 0.1689 0.1779 0.031 Uiso 1 1 calc R . .
H99B H 0.6410 0.1220 0.1865 0.031 Uiso 1 1 calc R . .
C100 C 0.68966(10) 0.0854(2) 0.24694(14) 0.0221(7) Uani 1 1 d . . .
C101 C 0.71866(10) -0.0453(3) 0.28382(15) 0.0250(8) Uani 1 1 d . . .
C102 C 0.73155(11) -0.1372(3) 0.29687(17) 0.0304(8) Uani 1 1 d . . .
H102 H 0.7233 -0.1881 0.2719 0.036 Uiso 1 1 calc R . .
C103 C 0.75709(11) -0.1508(3) 0.34837(17) 0.0304(8) Uani 1 1 d . . .
H103 H 0.7665 -0.2127 0.3591 0.036 Uiso 1 1 calc R . .
C104 C 0.76925(11) -0.0758(3) 0.38469(16) 0.0298(8) Uani 1 1 d . . .
H104 H 0.7871 -0.0877 0.4193 0.036 Uiso 1 1 calc R . .
C105 C 0.75605(10) 0.0155(3) 0.37169(15) 0.0261(8) Uani 1 1 d . . .
H105 H 0.7646 0.0663 0.3966 0.031 Uiso 1 1 calc R . .
C106 C 0.72981(10) 0.0302(2) 0.32080(14) 0.0218(7) Uani 1 1 d . . .
C107 C 0.62225(10) 0.2326(3) 0.25256(14) 0.0232(7) Uani 1 1 d . . .
H10A H 0.6182 0.1674 0.2643 0.028 Uiso 1 1 calc R . .
H10B H 0.5995 0.2511 0.2224 0.028 Uiso 1 1 calc R . .
C108 C 0.62749(9) 0.2995(2) 0.29990(13) 0.0195(7) Uani 1 1 d . . .
C109 C 0.61637(10) 0.4064(2) 0.35749(14) 0.0216(7) Uani 1 1 d . . .
C110 C 0.60134(11) 0.4748(3) 0.38568(16) 0.0291(8) Uani 1 1 d . . .
H110 H 0.5744 0.4897 0.3761 0.035 Uiso 1 1 calc R . .
C111 C 0.62732(11) 0.5201(3) 0.42821(17) 0.0306(9) Uani 1 1 d . . .
H111 H 0.6180 0.5670 0.4487 0.037 Uiso 1 1 calc R . .
C112 C 0.66738(11) 0.4987(3) 0.44222(16) 0.0282(8) Uani 1 1 d . . .
H112 H 0.6844 0.5309 0.4722 0.034 Uiso 1 1 calc R . .
C113 C 0.68247(10) 0.4317(2) 0.41316(14) 0.0228(7) Uani 1 1 d . . .
H113 H 0.7095 0.4176 0.4224 0.027 Uiso 1 1 calc R . .
C114 C 0.65621(10) 0.3858(2) 0.36967(14) 0.0201(7) Uani 1 1 d . . .
C115 C 0.74594(9) 0.2385(2) 0.42582(13) 0.0183(7) Uani 1 1 d . . .
C116 C 0.83846(12) 0.3036(3) 0.53136(16) 0.0377(10) Uani 1 1 d . . .
H116 H 0.8617 0.3381 0.5336 0.045 Uiso 1 1 calc R . .
C117 C 0.81034(11) 0.2999(3) 0.48203(16) 0.0319(9) Uani 1 1 d . . .
H117 H 0.8139 0.3316 0.4504 0.038 Uiso 1 1 calc R . .
C118 C 0.77693(9) 0.2494(2) 0.47949(14) 0.0183(7) Uani 1 1 d . . .
C119 C 0.77219(10) 0.2059(3) 0.52654(15) 0.0282(8) Uani 1 1 d . . .
H119 H 0.7489 0.1726 0.5258 0.034 Uiso 1 1 calc R . .
C120 C 0.80148(10) 0.2114(3) 0.57427(15) 0.0277(8) Uani 1 1 d . . .
H120 H 0.7987 0.1802 0.6065 0.033 Uiso 1 1 calc R . .
Cl2 Cl 0.69398(2) 0.02254(6) 0.54238(4) 0.02591(19) Uani 1 1 d . . .
Cl3 Cl 0.19681(2) 0.05858(7) 0.04730(4) 0.02645(19) Uani 1 1 d . . .
Cl5 Cl 0.86531(3) 0.39337(7) 0.89342(4) 0.0311(2) Uani 1 1 d . . .
Cl1 Cl 0.55539(6) 0.47133(16) 0.19547(8) 0.0208(3) Uani 0.876(4) 1 d P A 1
O9 O 0.55327(16) 0.3707(4) 0.1829(2) 0.0311(10) Uani 0.876(4) 1 d P A 1
O10 O 0.53476(11) 0.5219(2) 0.14690(14) 0.0365(8) Uani 0.876(4) 1 d P A 1
O11 O 0.53762(9) 0.4885(2) 0.23917(12) 0.0349(8) Uani 0.876(4) 1 d P A 1
O12 O 0.59515(9) 0.4999(2) 0.21158(16) 0.0429(9) Uani 0.876(4) 1 d P A 1
Cl4 Cl 1.05134(5) 0.47734(15) 0.69561(8) 0.0208(3) Uani 0.875(4) 1 d P B 1
O21 O 1.0301(3) 0.5223(5) 0.6459(3) 0.0306(12) Uani 0.875(4) 1 d P B 1
O22 O 1.04839(10) 0.3769(2) 0.68680(15) 0.0469(10) Uani 0.875(4) 1 d P B 1
O23 O 1.03462(10) 0.4990(3) 0.73990(13) 0.0454(9) Uani 0.875(4) 1 d P B 1
O24 O 1.09128(10) 0.5037(3) 0.71024(18) 0.0519(11) Uani 0.875(4) 1 d P B 1
Cl6 Cl 0.62324(4) 0.60935(11) 0.62377(6) 0.0273(3) Uani 0.851(5) 1 d P C 1
O29 O 0.60914(16) 0.6464(4) 0.56805(19) 0.0396(12) Uani 0.851(5) 1 d P C 1
O30 O 0.61413(16) 0.5101(3) 0.62293(19) 0.0475(12) Uani 0.851(5) 1 d P C 1
O31 O 0.66499(12) 0.6215(4) 0.6406(2) 0.0466(13) Uani 0.851(5) 1 d P C 1
O32 O 0.60648(16) 0.6577(4) 0.6612(2) 0.0893(18) Uani 0.851(5) 1 d P C 1
Cl1' Cl 0.5609(5) 0.4607(14) 0.1887(7) 0.0208(3) Uani 0.124(4) 1 d P A 2
O9' O 0.5598(15) 0.362(4) 0.1960(19) 0.0311(10) Uani 0.124(4) 1 d P A 2
O10' O 0.5235(8) 0.5014(18) 0.1657(10) 0.0365(8) Uani 0.124(4) 1 d P A 2
O11' O 0.5795(6) 0.5019(14) 0.2429(9) 0.028(5) Uani 0.124(4) 1 d P A 2
O12' O 0.5837(6) 0.4791(17) 0.1505(11) 0.0429(9) Uani 0.124(4) 1 d P A 2
Cl4' Cl 1.0573(5) 0.4689(13) 0.6884(7) 0.0208(3) Uani 0.125(4) 1 d P B 2
O21' O 1.029(3) 0.541(5) 0.652(3) 0.0306(12) Uani 0.125(4) 1 d P B 2
O22' O 1.0792(7) 0.4212(15) 0.6616(11) 0.0469(10) Uani 0.125(4) 1 d P B 2
O23' O 1.0335(7) 0.411(2) 0.7153(9) 0.0454(9) Uani 0.125(4) 1 d P B 2
O24' O 1.0762(7) 0.528(2) 0.7308(13) 0.0519(11) Uani 0.125(4) 1 d P B 2
Cl6' Cl 0.6341(3) 0.5849(7) 0.6052(5) 0.040(3) Uani 0.149(5) 1 d P C 2
O29' O 0.6015(11) 0.645(3) 0.5811(14) 0.0396(12) Uani 0.149(5) 1 d P C 2
O30' O 0.6120(11) 0.537(2) 0.6383(13) 0.0475(12) Uani 0.149(5) 1 d P C 2
O31' O 0.6549(9) 0.638(3) 0.6497(15) 0.0466(13) Uani 0.149(5) 1 d P C 2
O32' O 0.6509(9) 0.529(2) 0.5754(12) 0.0893(18) Uani 0.149(5) 1 d P C 2
O13 O 0.68659(8) 0.12278(19) 0.53929(12) 0.0337(6) Uani 1 1 d . . .
O14 O 0.73502(8) 0.0075(2) 0.55514(14) 0.0457(8) Uani 1 1 d . . .
O15 O 0.67494(8) -0.0219(2) 0.49134(11) 0.0363(7) Uani 1 1 d . . .
O16 O 0.67919(9) -0.0155(2) 0.58632(11) 0.0424(8) Uani 1 1 d . . .
O17 O 0.18560(8) 0.15616(19) 0.04991(11) 0.0342(6) Uani 1 1 d . . .
O18 O 0.18006(8) 0.0210(2) -0.00634(11) 0.0353(6) Uani 1 1 d . . .
O19 O 0.18262(8) 0.00479(19) 0.08699(11) 0.0359(7) Uani 1 1 d . . .
O20 O 0.23805(8) 0.0517(2) 0.06106(13) 0.0468(8) Uani 1 1 d . . .
O25 O 0.84553(10) 0.3425(2) 0.84508(13) 0.0503(9) Uani 1 1 d . . .
O26 O 0.90546(9) 0.3671(2) 0.90913(14) 0.0562(10) Uani 1 1 d . . .
O27 O 0.86166(9) 0.4917(2) 0.88121(14) 0.0493(8) Uani 1 1 d . . .
O28 O 0.84852(13) 0.3726(3) 0.93792(15) 0.0755(12) Uani 1 1 d . . .
H16N H 0.3651(10) 0.255(4) 0.0997(14) 0.074(18) Uiso 1 1 d D . .
H32N H 0.8531(11) 0.263(4) 0.6088(12) 0.078(19) Uiso 1 1 d D . .
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
O1 Co1 N6 101.28(10) . .
O1 Co1 N4 107.18(10) . .
N6 Co1 N4 106.98(11) . .
O1 Co1 N2 106.81(10) . .
N6 Co1 N2 106.84(11) . .
N4 Co1 N2 125.25(11) . .
O1 Co1 N1 176.02(9) . .
N6 Co1 N1 74.80(10) . .
N4 Co1 N1 73.66(10) . .
N2 Co1 N1 75.33(10) . .
O3 Co2 N10 98.72(10) . .
O3 Co2 N12 104.91(10) . .
N10 Co2 N12 106.60(11) . .
O3 Co2 N14 109.46(10) . .
N10 Co2 N14 110.18(11) . .
N12 Co2 N14 123.98(11) . .
O3 Co2 N9 173.85(10) . .
N10 Co2 N9 75.30(10) . .
N12 Co2 N9 75.87(10) . .
N14 Co2 N9 74.43(10) . .
O5 Co3 N20 100.24(10) . .
O5 Co3 N18 109.90(10) . .
N20 Co3 N18 105.48(11) . .
O5 Co3 N22 104.31(10) . .
N20 Co3 N22 112.88(11) . .
N18 Co3 N22 121.93(11) . .
O5 Co3 N17 174.90(10) . .
N20 Co3 N17 75.50(10) . .
N18 Co3 N17 74.25(10) . .
N22 Co3 N17 75.20(10) . .
O7 Co4 N26 99.91(11) . .
O7 Co4 N30 105.08(10) . .
N26 Co4 N30 109.29(11) . .
O7 Co4 N28 108.71(11) . .
N26 Co4 N28 106.10(11) . .
N30 Co4 N28 124.97(11) . .
O7 Co4 N25 173.72(10) . .
N26 Co4 N25 74.65(10) . .
N30 Co4 N25 74.31(10) . .
N28 Co4 N25 76.18(11) . .
C25 O1 Co1 110.7(2) . .
C55 O3 Co2 115.7(2) . .
C85 O5 Co3 113.1(2) . .
C115 O7 Co4 109.8(2) . .
C1 N1 C17 113.2(3) . .
C1 N1 C9 112.7(3) . .
C17 N1 C9 112.4(3) . .
C1 N1 Co1 107.8(2) . .
C17 N1 Co1 105.57(19) . .
C9 N1 Co1 104.49(19) . .
C2 N2 C8 105.8(3) . .
C2 N2 Co1 118.7(2) . .
C8 N2 Co1 135.2(2) . .
C2 N3 C3 107.5(3) . .
C2 N3 H3 126.3 . .
C3 N3 H3 126.3 . .
C10 N4 C16 105.6(3) . .
C10 N4 Co1 118.6(2) . .
C16 N4 Co1 135.8(2) . .
C10 N5 C11 107.6(3) . .
C10 N5 H5N 126.2 . .
C11 N5 H5N 126.2 . .
C18 N6 C24 105.9(3) . .
C18 N6 Co1 119.3(2) . .
C24 N6 Co1 134.7(2) . .
C18 N7 C19 107.8(3) . .
C18 N7 H7N 126.1 . .
C19 N7 H7N 126.1 . .
C26 N8 C30 119.2(3) . .
C39 N9 C47 113.5(3) . .
C39 N9 C31 112.5(3) . .
C47 N9 C31 112.2(3) . .
C39 N9 Co2 107.67(19) . .
C47 N9 Co2 104.93(19) . .
C31 N9 Co2 105.37(19) . .
C32 N10 C38 106.3(3) . .
C32 N10 Co2 117.8(2) . .
C38 N10 Co2 135.7(2) . .
C32 N11 C33 107.4(3) . .
C32 N11 H11N 126.3 . .
C33 N11 H11N 126.3 . .
C40 N12 C46 105.7(3) . .
C40 N12 Co2 118.3(2) . .
C46 N12 Co2 135.9(2) . .
C40 N13 C41 108.1(3) . .
C40 N13 H13N 125.9 . .
C41 N13 H13N 125.9 . .
C48 N14 C54 105.5(3) . .
C48 N14 Co2 118.0(2) . .
C54 N14 Co2 136.2(2) . .
C48 N15 C49 106.9(3) . .
C48 N15 H15N 126.5 . .
C49 N15 H15N 126.5 . .
C60 N16 C56 120.9(3) . .
C60 N16 H16N 119(3) . .
C56 N16 H16N 120(3) . .
C77 N17 C61 112.6(3) . .
C77 N17 C69 113.5(3) . .
C61 N17 C69 112.2(3) . .
C77 N17 Co3 107.45(19) . .
C61 N17 Co3 104.25(19) . .
C69 N17 Co3 106.17(19) . .
C62 N18 C68 105.4(3) . .
C62 N18 Co3 118.9(2) . .
C68 N18 Co3 135.6(2) . .
C62 N19 C63 107.8(3) . .
C62 N19 H19N 126.1 . .
C63 N19 H19N 126.1 . .
C70 N20 C76 105.8(3) . .
C70 N20 Co3 119.1(2) . .
C76 N20 Co3 135.1(2) . .
C70 N21 C71 107.9(3) . .
C70 N21 H21N 126.1 . .
C71 N21 H21N 126.1 . .
C78 N22 C84 105.5(3) . .
C78 N22 Co3 118.4(2) . .
C84 N22 Co3 135.4(2) . .
C78 N23 C79 107.5(3) . .
C78 N23 H23N 126.3 . .
C79 N23 H23N 126.3 . .
C86 N24 C90 118.3(3) . .
C99 N25 C91 113.0(3) . .
C99 N25 C107 113.3(3) . .
C91 N25 C107 112.5(3) . .
C99 N25 Co4 107.2(2) . .
C91 N25 Co4 105.4(2) . .
C107 N25 Co4 104.66(19) . .
C92 N26 C98 105.7(3) . .
C92 N26 Co4 118.9(2) . .
C98 N26 Co4 135.2(2) . .
C92 N27 C93 107.0(3) . .
C92 N27 H27N 126.5 . .
C93 N27 H27N 126.5 . .
C100 N28 C106 105.8(3) . .
C100 N28 Co4 118.1(2) . .
C106 N28 Co4 136.1(2) . .
C100 N29 C101 107.8(3) . .
C100 N29 H29N 126.1 . .
C101 N29 H29N 126.1 . .
C108 N30 C114 105.5(3) . .
C108 N30 Co4 118.0(2) . .
C114 N30 Co4 136.4(2) . .
C108 N31 C109 107.6(3) . .
C108 N31 H31N 126.2 . .
C109 N31 H31N 126.2 . .
C116 N32 C120 120.9(3) . .
C116 N32 H32N 120(3) . .
C120 N32 H32N 119(3) . .
N1 C1 C2 108.8(3) . .
N1 C1 H1A 109.9 . .
C2 C1 H1A 109.9 . .
N1 C1 H1B 109.9 . .
C2 C1 H1B 109.9 . .
H1A C1 H1B 108.3 . .
N2 C2 N3 112.5(3) . .
N2 C2 C1 123.5(3) . .
N3 C2 C1 123.9(3) . .
N3 C3 C4 131.3(3) . .
N3 C3 C8 105.5(3) . .
C4 C3 C8 123.2(3) . .
C5 C4 C3 115.8(4) . .
C5 C4 H4 122.1 . .
C3 C4 H4 122.1 . .
C4 C5 C6 121.6(4) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
C7 C6 C5 122.2(4) . .
C7 C6 H6 118.9 . .
C5 C6 H6 118.9 . .
C6 C7 C8 117.2(3) . .
C6 C7 H7 121.4 . .
C8 C7 H7 121.4 . .
N2 C8 C7 131.4(3) . .
N2 C8 C3 108.7(3) . .
C7 C8 C3 119.9(3) . .
N1 C9 C10 106.3(3) . .
N1 C9 H9A 110.5 . .
C10 C9 H9A 110.5 . .
N1 C9 H9B 110.5 . .
C10 C9 H9B 110.5 . .
H9A C9 H9B 108.7 . .
N4 C10 N5 112.7(3) . .
N4 C10 C9 121.5(3) . .
N5 C10 C9 125.8(3) . .
C12 C11 N5 132.2(3) . .
C12 C11 C16 122.5(3) . .
N5 C11 C16 105.4(3) . .
C13 C12 C11 116.6(3) . .
C13 C12 H12 121.7 . .
C11 C12 H12 121.7 . .
C12 C13 C14 121.2(3) . .
C12 C13 H13 119.4 . .
C14 C13 H13 119.4 . .
C15 C14 C13 122.2(3) . .
C15 C14 H14 118.9 . .
C13 C14 H14 118.9 . .
C14 C15 C16 117.4(3) . .
C14 C15 H15 121.3 . .
C16 C15 H15 121.3 . .
C15 C16 N4 130.9(3) . .
C15 C16 C11 120.3(3) . .
N4 C16 C11 108.8(3) . .
N1 C17 C18 107.9(3) . .
N1 C17 H17A 110.1 . .
C18 C17 H17A 110.1 . .
N1 C17 H17B 110.1 . .
C18 C17 H17B 110.1 . .
H17A C17 H17B 108.4 . .
N6 C18 N7 112.3(3) . .
N6 C18 C17 122.1(3) . .
N7 C18 C17 125.6(3) . .
N7 C19 C20 131.6(3) . .
N7 C19 C24 105.4(3) . .
C20 C19 C24 122.9(3) . .
C21 C20 C19 115.9(3) . .
C21 C20 H20 122.0 . .
C19 C20 H20 122.0 . .
C20 C21 C22 121.9(3) . .
C20 C21 H21 119.1 . .
C22 C21 H21 119.1 . .
C23 C22 C21 121.7(4) . .
C23 C22 H22 119.1 . .
C21 C22 H22 119.1 . .
C22 C23 C24 117.3(3) . .
C22 C23 H23 121.4 . .
C24 C23 H23 121.4 . .
N6 C24 C23 131.2(3) . .
N6 C24 C19 108.5(3) . .
C23 C24 C19 120.3(3) . .
O2 C25 O1 123.7(3) . .
O2 C25 C28 119.2(3) . .
O1 C25 C28 117.1(3) . .
N8 C26 C27 122.0(3) . .
N8 C26 H26 119.0 . .
C27 C26 H26 119.0 . .
C28 C27 C26 119.3(3) . .
C28 C27 H27A 120.3 . .
C26 C27 H27A 120.3 . .
C27 C28 C29 118.4(3) . .
C27 C28 C25 120.6(3) . .
C29 C28 C25 120.9(3) . .
C30 C29 C28 119.2(3) . .
C30 C29 H29 120.4 . .
C28 C29 H29 120.4 . .
N8 C30 C29 121.9(3) . .
N8 C30 H30 119.1 . .
C29 C30 H30 119.1 . .
N9 C31 C32 107.8(3) . .
N9 C31 H31A 110.1 . .
C32 C31 H31A 110.1 . .
N9 C31 H31B 110.1 . .
C32 C31 H31B 110.1 . .
H31A C31 H31B 108.5 . .
N10 C32 N11 112.3(3) . .
N10 C32 C31 122.5(3) . .
N11 C32 C31 125.2(3) . .
N11 C33 C34 131.6(3) . .
N11 C33 C38 106.0(3) . .
C34 C33 C38 122.4(3) . .
C35 C34 C33 115.9(3) . .
C35 C34 H34 122.1 . .
C33 C34 H34 122.1 . .
C34 C35 C36 122.0(3) . .
C34 C35 H35 119.0 . .
C36 C35 H35 119.0 . .
C37 C36 C35 121.8(3) . .
C37 C36 H36 119.1 . .
C35 C36 H36 119.1 . .
C36 C37 C38 116.6(3) . .
C36 C37 H37 121.7 . .
C38 C37 H37 121.7 . .
N10 C38 C37 130.6(3) . .
N10 C38 C33 108.0(3) . .
C37 C38 C33 121.4(3) . .
N9 C39 C40 109.7(3) . .
N9 C39 H39A 109.7 . .
C40 C39 H39A 109.7 . .
N9 C39 H39B 109.7 . .
C40 C39 H39B 109.7 . .
H39A C39 H39B 108.2 . .
N12 C40 N13 112.2(3) . .
N12 C40 C39 123.0(3) . .
N13 C40 C39 124.8(3) . .
N13 C41 C42 132.3(4) . .
N13 C41 C46 105.9(3) . .
C42 C41 C46 121.8(4) . .
C43 C42 C41 117.0(4) . .
C43 C42 H42 121.5 . .
C41 C42 H42 121.5 . .
C42 C43 C44 121.0(4) . .
C42 C43 H43 119.5 . .
C44 C43 H43 119.5 . .
C45 C44 C43 122.2(4) . .
C45 C44 H44 118.9 . .
C43 C44 H44 118.9 . .
C44 C45 C46 117.4(4) . .
C44 C45 H45 121.3 . .
C46 C45 H45 121.3 . .
C45 C46 N12 131.2(3) . .
C45 C46 C41 120.6(3) . .
N12 C46 C41 108.2(3) . .
N9 C47 C48 106.4(3) . .
N9 C47 H47A 110.4 . .
C48 C47 H47A 110.4 . .
N9 C47 H47B 110.4 . .
C48 C47 H47B 110.4 . .
H47A C47 H47B 108.6 . .
N14 C48 N15 113.0(3) . .
N14 C48 C47 121.5(3) . .
N15 C48 C47 125.4(3) . .
N15 C49 C50 131.3(3) . .
N15 C49 C54 105.9(3) . .
C50 C49 C54 122.7(3) . .
C51 C50 C49 116.5(3) . .
C51 C50 H50 121.7 . .
C49 C50 H50 121.7 . .
C50 C51 C52 121.2(3) . .
C50 C51 H51 119.4 . .
C52 C51 H51 119.4 . .
C53 C52 C51 122.0(3) . .
C53 C52 H52 119.0 . .
C51 C52 H52 119.0 . .
C52 C53 C54 117.5(3) . .
C52 C53 H53 121.2 . .
C54 C53 H53 121.2 . .
N14 C54 C53 131.3(3) . .
N14 C54 C49 108.6(3) . .
C53 C54 C49 120.0(3) . .
O4 C55 O3 125.3(3) . .
O4 C55 C58 119.3(3) . .
O3 C55 C58 115.3(3) . .
N16 C56 C57 120.7(3) . .
N16 C56 H56 119.7 . .
C57 C56 H56 119.7 . .
C58 C57 C56 118.9(3) . .
C58 C57 H57 120.6 . .
C56 C57 H57 120.6 . .
C57 C58 C59 119.2(3) . .
C57 C58 C55 120.7(3) . .
C59 C58 C55 120.1(3) . .
C60 C59 C58 119.4(3) . .
C60 C59 H59 120.3 . .
C58 C59 H59 120.3 . .
N16 C60 C59 121.0(3) . .
N16 C60 H60 119.5 . .
C59 C60 H60 119.5 . .
N17 C61 C62 107.2(3) . .
N17 C61 H61A 110.3 . .
C62 C61 H61A 110.3 . .
N17 C61 H61B 110.3 . .
C62 C61 H61B 110.3 . .
H61A C61 H61B 108.5 . .
N19 C62 N18 112.7(3) . .
N19 C62 C61 126.5(3) . .
N18 C62 C61 120.7(3) . .
C64 C63 N19 131.8(3) . .
C64 C63 C68 122.9(3) . .
N19 C63 C68 105.3(3) . .
C63 C64 C65 116.0(3) . .
C63 C64 H64 122.0 . .
C65 C64 H64 122.0 . .
C64 C65 C66 122.0(3) . .
C64 C65 H65 119.0 . .
C66 C65 H65 119.0 . .
C67 C66 C65 121.2(3) . .
C67 C66 H66 119.4 . .
C65 C66 H66 119.4 . .
C66 C67 C68 117.4(3) . .
C66 C67 H67 121.3 . .
C68 C67 H67 121.3 . .
N18 C68 C67 130.7(3) . .
N18 C68 C63 108.8(3) . .
C67 C68 C63 120.4(3) . .
N17 C69 C70 108.8(3) . .
N17 C69 H69A 109.9 . .
C70 C69 H69A 109.9 . .
N17 C69 H69B 109.9 . .
C70 C69 H69B 109.9 . .
H69A C69 H69B 108.3 . .
N20 C70 N21 112.3(3) . .
N20 C70 C69 122.5(3) . .
N21 C70 C69 125.1(3) . .
N21 C71 C72 132.0(3) . .
N21 C71 C76 105.6(3) . .
C72 C71 C76 122.4(3) . .
C73 C72 C71 115.9(3) . .
C73 C72 H72 122.1 . .
C71 C72 H72 122.1 . .
C72 C73 C74 122.3(3) . .
C72 C73 H73 118.8 . .
C74 C73 H73 118.8 . .
C75 C74 C73 121.3(3) . .
C75 C74 H74 119.3 . .
C73 C74 H74 119.3 . .
C74 C75 C76 116.9(3) . .
C74 C75 H75 121.6 . .
C76 C75 H75 121.6 . .
C75 C76 N20 130.3(3) . .
C75 C76 C71 121.2(3) . .
N20 C76 C71 108.5(3) . .
N17 C77 C78 108.0(3) . .
N17 C77 H77A 110.1 . .
C78 C77 H77A 110.1 . .
N17 C77 H77B 110.1 . .
C78 C77 H77B 110.1 . .
H77A C77 H77B 108.4 . .
N22 C78 N23 112.5(3) . .
N22 C78 C77 122.9(3) . .
N23 C78 C77 124.5(3) . .
N23 C79 C84 105.9(3) . .
N23 C79 C80 131.2(3) . .
C84 C79 C80 122.8(3) . .
C81 C80 C79 115.9(3) . .
C81 C80 H80 122.1 . .
C79 C80 H80 122.1 . .
C80 C81 C82 121.6(3) . .
C80 C81 H81 119.2 . .
C82 C81 H81 119.2 . .
C83 C82 C81 122.0(3) . .
C83 C82 H82 119.0 . .
C81 C82 H82 119.0 . .
C82 C83 C84 117.2(3) . .
C82 C83 H83 121.4 . .
C84 C83 H83 121.4 . .
C79 C84 C83 120.5(3) . .
C79 C84 N22 108.6(3) . .
C83 C84 N22 130.9(3) . .
O6 C85 O5 125.3(3) . .
O6 C85 C88 119.4(3) . .
O5 C85 C88 115.3(3) . .
N24 C86 C87 123.4(4) . .
N24 C86 H86 118.3 . .
C87 C86 H86 118.3 . .
C86 C87 C88 117.9(4) . .
C86 C87 H87 121.0 . .
C88 C87 H87 121.0 . .
C89 C88 C87 118.9(3) . .
C89 C88 C85 119.8(3) . .
C87 C88 C85 121.3(3) . .
C90 C89 C88 119.1(4) . .
C90 C89 H89 120.5 . .
C88 C89 H89 120.5 . .
N24 C90 C89 122.5(4) . .
N24 C90 H90 118.8 . .
C89 C90 H90 118.8 . .
N25 C91 C92 107.9(3) . .
N25 C91 H91A 110.1 . .
C92 C91 H91A 110.1 . .
N25 C91 H91B 110.1 . .
C92 C91 H91B 110.1 . .
H91A C91 H91B 108.4 . .
N26 C92 N27 113.1(3) . .
N26 C92 C91 121.3(3) . .
N27 C92 C91 125.6(3) . .
C94 C93 N27 132.2(3) . .
C94 C93 C98 122.3(3) . .
N27 C93 C98 105.4(3) . .
C95 C94 C93 116.6(3) . .
C95 C94 H94 121.7 . .
C93 C94 H94 121.7 . .
C94 C95 C96 121.4(3) . .
C94 C95 H95 119.3 . .
C96 C95 H95 119.3 . .
C97 C96 C95 121.7(3) . .
C97 C96 H96 119.1 . .
C95 C96 H96 119.1 . .
C96 C97 C98 117.1(3) . .
C96 C97 H97 121.4 . .
C98 C97 H97 121.4 . .
N26 C98 C97 130.5(3) . .
N26 C98 C93 108.7(3) . .
C97 C98 C93 120.8(3) . .
N25 C99 C100 109.2(3) . .
N25 C99 H99A 109.8 . .
C100 C99 H99A 109.8 . .
N25 C99 H99B 109.8 . .
C100 C99 H99B 109.8 . .
H99A C99 H99B 108.3 . .
N28 C100 N29 112.4(3) . .
N28 C100 C99 123.4(3) . .
N29 C100 C99 124.2(3) . .
N29 C101 C102 131.7(3) . .
N29 C101 C106 105.8(3) . .
C102 C101 C106 122.4(4) . .
C103 C102 C101 116.5(4) . .
C103 C102 H102 121.8 . .
C101 C102 H102 121.8 . .
C102 C103 C104 121.5(4) . .
C102 C103 H103 119.3 . .
C104 C103 H103 119.3 . .
C105 C104 C103 121.8(4) . .
C105 C104 H104 119.1 . .
C103 C104 H104 119.1 . .
C104 C105 C106 117.6(3) . .
C104 C105 H105 121.2 . .
C106 C105 H105 121.2 . .
C105 C106 N28 131.7(3) . .
C105 C106 C101 120.1(3) . .
N28 C106 C101 108.2(3) . .
N25 C107 C108 106.2(3) . .
N25 C107 H10A 110.5 . .
C108 C107 H10A 110.5 . .
N25 C107 H10B 110.5 . .
C108 C107 H10B 110.5 . .
H10A C107 H10B 108.7 . .
N30 C108 N31 112.5(3) . .
N30 C108 C107 121.6(3) . .
N31 C108 C107 125.8(3) . .
N31 C109 C110 132.0(3) . .
N31 C109 C114 105.5(3) . .
C110 C109 C114 122.5(3) . .
C111 C110 C109 116.7(3) . .
C111 C110 H110 121.6 . .
C109 C110 H110 121.6 . .
C110 C111 C112 121.8(3) . .
C110 C111 H111 119.1 . .
C112 C111 H111 119.1 . .
C113 C112 C111 121.4(4) . .
C113 C112 H112 119.3 . .
C111 C112 H112 119.3 . .
C112 C113 C114 117.1(3) . .
C112 C113 H113 121.5 . .
C114 C113 H113 121.5 . .
N30 C114 C113 130.6(3) . .
N30 C114 C109 108.9(3) . .
C113 C114 C109 120.5(3) . .
O8 C115 O7 124.7(3) . .
O8 C115 C118 119.0(3) . .
O7 C115 C118 116.3(3) . .
N32 C116 C117 121.2(4) . .
N32 C116 H116 119.4 . .
C117 C116 H116 119.4 . .
C118 C117 C116 118.7(3) . .
C118 C117 H117 120.7 . .
C116 C117 H117 120.7 . .
C117 C118 C119 119.2(3) . .
C117 C118 C115 121.1(3) . .
C119 C118 C115 119.6(3) . .
C120 C119 C118 119.2(3) . .
C120 C119 H119 120.4 . .
C118 C119 H119 120.4 . .
N32 C120 C119 120.6(3) . .
N32 C120 H120 119.7 . .
C119 C120 H120 119.7 . .
O14 Cl2 O15 110.78(19) . .
O14 Cl2 O13 108.67(17) . .
O15 Cl2 O13 110.25(17) . .
O14 Cl2 O16 109.22(19) . .
O15 Cl2 O16 109.88(17) . .
O13 Cl2 O16 107.99(18) . .
O20 Cl3 O18 110.84(19) . .
O20 Cl3 O17 109.56(18) . .
O18 Cl3 O17 110.27(16) . .
O20 Cl3 O19 108.75(18) . .
O18 Cl3 O19 108.70(17) . .
O17 Cl3 O19 108.67(17) . .
O27 Cl5 O25 108.10(19) . .
O27 Cl5 O28 109.6(2) . .
O25 Cl5 O28 110.3(2) . .
O27 Cl5 O26 110.0(2) . .
O25 Cl5 O26 109.9(2) . .
O28 Cl5 O26 108.9(2) . .
O11 Cl1 O12 110.0(2) . .
O11 Cl1 O10 109.7(2) . .
O12 Cl1 O10 110.5(3) . .
O11 Cl1 O9 109.0(3) . .
O12 Cl1 O9 109.2(3) . .
O10 Cl1 O9 108.4(2) . .
O24 Cl4 O23 109.6(3) . .
O24 Cl4 O21 112.0(5) . .
O23 Cl4 O21 110.7(4) . .
O24 Cl4 O22 109.0(3) . .
O23 Cl4 O22 107.7(3) . .
O21 Cl4 O22 107.6(3) . .
O32 Cl6 O30 110.4(4) . .
O32 Cl6 O31 109.2(3) . .
O30 Cl6 O31 109.3(4) . .
O32 Cl6 O29 111.5(4) . .
O30 Cl6 O29 108.4(3) . .
O31 Cl6 O29 108.0(3) . .
O9' Cl1' O10' 113(3) . .
O9' Cl1' O12' 108(3) . .
O10' Cl1' O12' 106.8(19) . .
O9' Cl1' O11' 107(2) . .
O10' Cl1' O11' 111.3(17) . .
O12' Cl1' O11' 110.5(18) . .
O22' Cl4' O24' 117(2) . .
O22' Cl4' O23' 116(2) . .
O24' Cl4' O23' 102.0(19) . .
O22' Cl4' O21' 113(3) . .
O24' Cl4' O21' 100(3) . .
O23' Cl4' O21' 107(4) . .
O32' Cl6' O31' 123(2) . .
O32' Cl6' O29' 123(2) . .
O31' Cl6' O29' 103(3) . .
O32' Cl6' O30' 116(2) . .
O31' Cl6' O30' 93(2) . .
O29' Cl6' O30' 91(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.992(2) .
Co1 N6 2.035(3) .
Co1 N4 2.060(3) .
Co1 N2 2.067(3) .
Co1 N1 2.425(3) .
Co2 O3 1.979(2) .
Co2 N10 2.036(3) .
Co2 N12 2.049(3) .
Co2 N14 2.051(3) .
Co2 N9 2.392(3) .
Co3 O5 1.976(2) .
Co3 N20 2.034(3) .
Co3 N18 2.044(3) .
Co3 N22 2.058(3) .
Co3 N17 2.411(3) .
Co4 O7 1.995(2) .
Co4 N26 2.032(3) .
Co4 N30 2.043(3) .
Co4 N28 2.048(3) .
Co4 N25 2.396(3) .
O1 C25 1.268(4) .
O2 C25 1.241(4) .
O3 C55 1.277(4) .
O4 C55 1.231(4) .
O5 C85 1.276(4) .
O6 C85 1.228(4) .
O7 C115 1.276(4) .
O8 C115 1.230(4) .
N1 C1 1.471(4) .
N1 C17 1.474(4) .
N1 C9 1.477(4) .
N2 C2 1.322(4) .
N2 C8 1.393(4) .
N3 C2 1.344(4) .
N3 C3 1.387(4) .
N3 H3 0.8800 .
N4 C10 1.328(4) .
N4 C16 1.397(4) .
N5 C10 1.343(4) .
N5 C11 1.390(4) .
N5 H5N 0.8800 .
N6 C18 1.324(4) .
N6 C24 1.391(4) .
N7 C18 1.338(4) .
N7 C19 1.384(4) .
N7 H7N 0.8800 .
N8 C26 1.331(4) .
N8 C30 1.341(5) .
N9 C39 1.463(4) .
N9 C47 1.469(4) .
N9 C31 1.476(4) .
N10 C32 1.325(4) .
N10 C38 1.391(4) .
N11 C32 1.342(4) .
N11 C33 1.384(4) .
N11 H11N 0.8800 .
N12 C40 1.329(4) .
N12 C46 1.404(4) .
N13 C40 1.345(4) .
N13 C41 1.375(5) .
N13 H13N 0.8800 .
N14 C48 1.322(4) .
N14 C54 1.395(4) .
N15 C48 1.350(4) .
N15 C49 1.387(4) .
N15 H15N 0.8800 .
N16 C60 1.338(5) .
N16 C56 1.338(4) .
N16 H16N 0.934(10) .
N17 C77 1.464(4) .
N17 C61 1.475(4) .
N17 C69 1.479(4) .
N18 C62 1.332(4) .
N18 C68 1.393(4) .
N19 C62 1.331(4) .
N19 C63 1.390(4) .
N19 H19N 0.8800 .
N20 C70 1.325(4) .
N20 C76 1.399(4) .
N21 C70 1.343(4) .
N21 C71 1.384(4) .
N21 H21N 0.8800 .
N22 C78 1.325(4) .
N22 C84 1.402(4) .
N23 C78 1.344(4) .
N23 C79 1.385(4) .
N23 H23N 0.8800 .
N24 C86 1.329(5) .
N24 C90 1.334(5) .
N25 C99 1.468(4) .
N25 C91 1.469(4) .
N25 C107 1.477(4) .
N26 C92 1.321(4) .
N26 C98 1.388(4) .
N27 C92 1.344(4) .
N27 C93 1.391(4) .
N27 H27N 0.8800 .
N28 C100 1.321(4) .
N28 C106 1.402(4) .
N29 C100 1.346(4) .
N29 C101 1.377(5) .
N29 H29N 0.8800 .
N30 C108 1.327(4) .
N30 C114 1.388(4) .
N31 C108 1.344(4) .
N31 C109 1.380(4) .
N31 H31N 0.8800 .
N32 C116 1.326(5) .
N32 C120 1.330(5) .
N32 H32N 0.932(10) .
C1 C2 1.489(5) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C3 C4 1.390(5) .
C3 C8 1.401(5) .
C4 C5 1.385(6) .
C4 H4 0.9500 .
C5 C6 1.404(5) .
C5 H5 0.9500 .
C6 C7 1.372(5) .
C6 H6 0.9500 .
C7 C8 1.401(5) .
C7 H7 0.9500 .
C9 C10 1.491(5) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C11 C12 1.387(5) .
C11 C16 1.404(4) .
C12 C13 1.383(5) .
C12 H12 0.9500 .
C13 C14 1.405(5) .
C13 H13 0.9500 .
C14 C15 1.370(5) .
C14 H14 0.9500 .
C15 C16 1.393(4) .
C15 H15 0.9500 .
C17 C18 1.498(5) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C19 C20 1.393(5) .
C19 C24 1.401(5) .
C20 C21 1.387(5) .
C20 H20 0.9500 .
C21 C22 1.397(5) .
C21 H21 0.9500 .
C22 C23 1.388(5) .
C22 H22 0.9500 .
C23 C24 1.393(5) .
C23 H23 0.9500 .
C25 C28 1.508(4) .
C26 C27 1.388(5) .
C26 H26 0.9500 .
C27 C28 1.380(4) .
C27 H27A 0.9500 .
C28 C29 1.387(4) .
C29 C30 1.384(5) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.492(4) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C33 C34 1.393(5) .
C33 C38 1.403(4) .
C34 C35 1.390(5) .
C34 H34 0.9500 .
C35 C36 1.405(5) .
C35 H35 0.9500 .
C36 C37 1.387(5) .
C36 H36 0.9500 .
C37 C38 1.392(5) .
C37 H37 0.9500 .
C39 C40 1.489(5) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C41 C42 1.390(5) .
C41 C46 1.405(5) .
C42 C43 1.388(6) .
C42 H42 0.9500 .
C43 C44 1.402(6) .
C43 H43 0.9500 .
C44 C45 1.371(5) .
C44 H44 0.9500 .
C45 C46 1.394(5) .
C45 H45 0.9500 .
C47 C48 1.488(4) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C49 C50 1.391(5) .
C49 C54 1.403(4) .
C50 C51 1.385(5) .
C50 H50 0.9500 .
C51 C52 1.411(5) .
C51 H51 0.9500 .
C52 C53 1.376(5) .
C52 H52 0.9500 .
C53 C54 1.399(5) .
C53 H53 0.9500 .
C55 C58 1.512(5) .
C56 C57 1.389(4) .
C56 H56 0.9500 .
C57 C58 1.383(5) .
C57 H57 0.9500 .
C58 C59 1.390(5) .
C59 C60 1.371(5) .
C59 H59 0.9500 .
C60 H60 0.9500 .
C61 C62 1.486(5) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C63 C64 1.384(5) .
C63 C68 1.402(4) .
C64 C65 1.385(5) .
C64 H64 0.9500 .
C65 C66 1.411(5) .
C65 H65 0.9500 .
C66 C67 1.381(5) .
C66 H66 0.9500 .
C67 C68 1.395(5) .
C67 H67 0.9500 .
C69 C70 1.492(4) .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C71 C72 1.392(5) .
C71 C76 1.402(5) .
C72 C73 1.386(5) .
C72 H72 0.9500 .
C73 C74 1.406(5) .
C73 H73 0.9500 .
C74 C75 1.389(5) .
C74 H74 0.9500 .
C75 C76 1.392(5) .
C75 H75 0.9500 .
C77 C78 1.485(4) .
C77 H77A 0.9900 .
C77 H77B 0.9900 .
C79 C84 1.393(5) .
C79 C80 1.397(5) .
C80 C81 1.388(5) .
C80 H80 0.9500 .
C81 C82 1.398(5) .
C81 H81 0.9500 .
C82 C83 1.383(5) .
C82 H82 0.9500 .
C83 C84 1.393(5) .
C83 H83 0.9500 .
C85 C88 1.518(4) .
C86 C87 1.385(5) .
C86 H86 0.9500 .
C87 C88 1.386(5) .
C87 H87 0.9500 .
C88 C89 1.384(5) .
C89 C90 1.378(5) .
C89 H89 0.9500 .
C90 H90 0.9500 .
C91 C92 1.497(5) .
C91 H91A 0.9900 .
C91 H91B 0.9900 .
C93 C94 1.385(5) .
C93 C98 1.408(4) .
C94 C95 1.385(5) .
C94 H94 0.9500 .
C95 C96 1.412(5) .
C95 H95 0.9500 .
C96 C97 1.382(5) .
C96 H96 0.9500 .
C97 C98 1.391(5) .
C97 H97 0.9500 .
C99 C100 1.494(5) .
C99 H99A 0.9900 .
C99 H99B 0.9900 .
C101 C102 1.388(5) .
C101 C106 1.403(5) .
C102 C103 1.388(5) .
C102 H102 0.9500 .
C103 C104 1.393(5) .
C103 H103 0.9500 .
C104 C105 1.383(5) .
C104 H104 0.9500 .
C105 C106 1.390(5) .
C105 H105 0.9500 .
C107 C108 1.493(5) .
C107 H10A 0.9900 .
C107 H10B 0.9900 .
C109 C110 1.386(5) .
C109 C114 1.403(5) .
C110 C111 1.376(5) .
C110 H110 0.9500 .
C111 C112 1.412(5) .
C111 H111 0.9500 .
C112 C113 1.387(5) .
C112 H112 0.9500 .
C113 C114 1.400(5) .
C113 H113 0.9500 .
C115 C118 1.513(4) .
C116 C117 1.378(5) .
C116 H116 0.9500 .
C117 C118 1.376(5) .
C117 H117 0.9500 .
C118 C119 1.382(5) .
C119 C120 1.372(5) .
C119 H119 0.9500 .
C120 H120 0.9500 .
Cl2 O14 1.430(3) .
Cl2 O15 1.431(3) .
Cl2 O13 1.439(3) .
Cl2 O16 1.446(3) .
Cl3 O20 1.423(3) .
Cl3 O18 1.427(3) .
Cl3 O17 1.442(3) .
Cl3 O19 1.447(3) .
Cl5 O27 1.421(3) .
Cl5 O25 1.430(3) .
Cl5 O28 1.430(4) .
Cl5 O26 1.431(3) .
Cl1 O11 1.425(3) .
Cl1 O12 1.428(4) .
Cl1 O10 1.440(4) .
Cl1 O9 1.454(7) .
Cl4 O24 1.424(4) .
Cl4 O23 1.426(3) .
Cl4 O21 1.431(10) .
Cl4 O22 1.437(4) .
Cl6 O32 1.415(4) .
Cl6 O30 1.438(5) .
Cl6 O31 1.448(5) .
Cl6 O29 1.457(5) .
Cl1' O9' 1.40(6) .
Cl1' O10' 1.43(3) .
Cl1' O12' 1.44(3) .
Cl1' O11' 1.47(3) .
Cl4' O22' 1.34(3) .
Cl4' O24' 1.38(4) .
Cl4' O23' 1.47(3) .
Cl4' O21' 1.55(8) .
Cl6' O32' 1.33(3) .
Cl6' O31' 1.39(4) .
Cl6' O29' 1.44(4) .
Cl6' O30' 1.46(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
N6 Co1 O1 C25 -169.2(2) . . . .
N4 Co1 O1 C25 -57.3(2) . . . .
N2 Co1 O1 C25 79.1(2) . . . .
N1 Co1 O1 C25 -158.9(14) . . . .
N10 Co2 O3 C55 168.0(2) . . . .
N12 Co2 O3 C55 -82.1(2) . . . .
N14 Co2 O3 C55 52.9(3) . . . .
N9 Co2 O3 C55 -179(44) . . . .
N20 Co3 O5 C85 -162.2(2) . . . .
N18 Co3 O5 C85 -51.5(2) . . . .
N22 Co3 O5 C85 80.8(2) . . . .
N17 Co3 O5 C85 164.5(10) . . . .
N26 Co4 O7 C115 177.1(2) . . . .
N30 Co4 O7 C115 63.9(2) . . . .
N28 Co4 O7 C115 -72.0(2) . . . .
N25 Co4 O7 C115 147.4(8) . . . .
O1 Co1 N1 C1 -105.4(14) . . . .
N6 Co1 N1 C1 -94.9(2) . . . .
N4 Co1 N1 C1 151.8(2) . . . .
N2 Co1 N1 C1 17.5(2) . . . .
O1 Co1 N1 C17 15.8(15) . . . .
N6 Co1 N1 C17 26.3(2) . . . .
N4 Co1 N1 C17 -87.0(2) . . . .
N2 Co1 N1 C17 138.7(2) . . . .
O1 Co1 N1 C9 134.6(14) . . . .
N6 Co1 N1 C9 145.1(2) . . . .
N4 Co1 N1 C9 31.8(2) . . . .
N2 Co1 N1 C9 -102.5(2) . . . .
O1 Co1 N2 C2 170.7(2) . . . .
N6 Co1 N2 C2 63.0(3) . . . .
N4 Co1 N2 C2 -63.0(3) . . . .
N1 Co1 N2 C2 -5.8(2) . . . .
O1 Co1 N2 C8 -16.3(3) . . . .
N6 Co1 N2 C8 -124.1(3) . . . .
N4 Co1 N2 C8 110.0(3) . . . .
N1 Co1 N2 C8 167.2(3) . . . .
O1 Co1 N4 C10 167.1(2) . . . .
N6 Co1 N4 C10 -84.9(3) . . . .
N2 Co1 N4 C10 41.0(3) . . . .
N1 Co1 N4 C10 -17.0(2) . . . .
O1 Co1 N4 C16 -15.7(3) . . . .
N6 Co1 N4 C16 92.3(3) . . . .
N2 Co1 N4 C16 -141.8(3) . . . .
N1 Co1 N4 C16 160.2(3) . . . .
O1 Co1 N6 C18 164.8(2) . . . .
N4 Co1 N6 C18 52.7(3) . . . .
N2 Co1 N6 C18 -83.6(3) . . . .
N1 Co1 N6 C18 -14.5(2) . . . .
O1 Co1 N6 C24 -15.3(3) . . . .
N4 Co1 N6 C24 -127.3(3) . . . .
N2 Co1 N6 C24 96.4(3) . . . .
N1 Co1 N6 C24 165.5(3) . . . .
O3 Co2 N9 C39 78.3(9) . . . .
N10 Co2 N9 C39 92.0(2) . . . .
N12 Co2 N9 C39 -19.8(2) . . . .
N14 Co2 N9 C39 -151.7(2) . . . .
O3 Co2 N9 C47 -160.6(8) . . . .
N10 Co2 N9 C47 -146.9(2) . . . .
N12 Co2 N9 C47 101.4(2) . . . .
N14 Co2 N9 C47 -30.6(2) . . . .
O3 Co2 N9 C31 -42.0(10) . . . .
N10 Co2 N9 C31 -28.3(2) . . . .
N12 Co2 N9 C31 -140.0(2) . . . .
N14 Co2 N9 C31 88.0(2) . . . .
O3 Co2 N10 C32 -163.8(2) . . . .
N12 Co2 N10 C32 87.7(2) . . . .
N14 Co2 N10 C32 -49.2(3) . . . .
N9 Co2 N10 C32 17.7(2) . . . .
O3 Co2 N10 C38 10.8(3) . . . .
N12 Co2 N10 C38 -97.7(3) . . . .
N14 Co2 N10 C38 125.3(3) . . . .
N9 Co2 N10 C38 -167.8(3) . . . .
O3 Co2 N12 C40 -162.0(2) . . . .
N10 Co2 N12 C40 -58.0(3) . . . .
N14 Co2 N12 C40 71.4(3) . . . .
N9 Co2 N12 C40 11.7(2) . . . .
O3 Co2 N12 C46 12.5(3) . . . .
N10 Co2 N12 C46 116.6(3) . . . .
N14 Co2 N12 C46 -114.0(3) . . . .
N9 Co2 N12 C46 -173.8(3) . . . .
O3 Co2 N14 C48 -169.7(2) . . . .
N10 Co2 N14 C48 82.7(3) . . . .
N12 Co2 N14 C48 -45.2(3) . . . .
N9 Co2 N14 C48 15.3(2) . . . .
O3 Co2 N14 C54 16.7(3) . . . .
N10 Co2 N14 C54 -90.8(3) . . . .
N12 Co2 N14 C54 141.3(3) . . . .
N9 Co2 N14 C54 -158.3(3) . . . .
O5 Co3 N17 C77 -64.6(11) . . . .
N20 Co3 N17 C77 -98.5(2) . . . .
N18 Co3 N17 C77 150.4(2) . . . .
N22 Co3 N17 C77 20.4(2) . . . .
O5 Co3 N17 C61 175.7(10) . . . .
N20 Co3 N17 C61 141.8(2) . . . .
N18 Co3 N17 C61 30.8(2) . . . .
N22 Co3 N17 C61 -99.2(2) . . . .
O5 Co3 N17 C69 57.1(12) . . . .
N20 Co3 N17 C69 23.2(2) . . . .
N18 Co3 N17 C69 -87.9(2) . . . .
N22 Co3 N17 C69 142.1(2) . . . .
O5 Co3 N18 C62 166.8(2) . . . .
N20 Co3 N18 C62 -85.9(2) . . . .
N22 Co3 N18 C62 44.5(3) . . . .
N17 Co3 N18 C62 -16.3(2) . . . .
O5 Co3 N18 C68 -18.0(3) . . . .
N20 Co3 N18 C68 89.3(3) . . . .
N22 Co3 N18 C68 -140.3(3) . . . .
N17 Co3 N18 C68 158.9(3) . . . .
O5 Co3 N20 C70 169.6(2) . . . .
N18 Co3 N20 C70 55.5(3) . . . .
N22 Co3 N20 C70 -79.9(3) . . . .
N17 Co3 N20 C70 -13.2(2) . . . .
O5 Co3 N20 C76 -8.1(3) . . . .
N18 Co3 N20 C76 -122.2(3) . . . .
N22 Co3 N20 C76 102.3(3) . . . .
N17 Co3 N20 C76 169.0(3) . . . .
O5 Co3 N22 C78 168.3(2) . . . .
N20 Co3 N22 C78 60.4(3) . . . .
N18 Co3 N22 C78 -66.8(3) . . . .
N17 Co3 N22 C78 -6.5(2) . . . .
O5 Co3 N22 C84 -22.3(3) . . . .
N20 Co3 N22 C84 -130.1(3) . . . .
N18 Co3 N22 C84 102.7(3) . . . .
N17 Co3 N22 C84 163.0(3) . . . .
O7 Co4 N25 C99 121.9(9) . . . .
N26 Co4 N25 C99 91.5(2) . . . .
N30 Co4 N25 C99 -152.8(2) . . . .
N28 Co4 N25 C99 -19.8(2) . . . .
O7 Co4 N25 C91 1.3(10) . . . .
N26 Co4 N25 C91 -29.0(2) . . . .
N30 Co4 N25 C91 86.6(2) . . . .
N28 Co4 N25 C91 -140.4(2) . . . .
O7 Co4 N25 C107 -117.5(9) . . . .
N26 Co4 N25 C107 -147.9(2) . . . .
N30 Co4 N25 C107 -32.3(2) . . . .
N28 Co4 N25 C107 100.8(2) . . . .
O7 Co4 N26 C92 -158.5(2) . . . .
N30 Co4 N26 C92 -48.6(3) . . . .
N28 Co4 N26 C92 88.5(3) . . . .
N25 Co4 N26 C92 18.2(2) . . . .
O7 Co4 N26 C98 16.5(3) . . . .
N30 Co4 N26 C98 126.5(3) . . . .
N28 Co4 N26 C98 -96.4(3) . . . .
N25 Co4 N26 C98 -166.7(3) . . . .
O7 Co4 N28 C100 -165.9(2) . . . .
N26 Co4 N28 C100 -59.2(3) . . . .
N30 Co4 N28 C100 69.2(3) . . . .
N25 Co4 N28 C100 10.0(2) . . . .
O7 Co4 N28 C106 13.3(4) . . . .
N26 Co4 N28 C106 120.0(3) . . . .
N30 Co4 N28 C106 -111.6(3) . . . .
N25 Co4 N28 C106 -170.8(3) . . . .
O7 Co4 N30 C108 -168.0(2) . . . .
N26 Co4 N30 C108 85.6(3) . . . .
N28 Co4 N30 C108 -41.5(3) . . . .
N25 Co4 N30 C108 18.5(2) . . . .
O7 Co4 N30 C114 14.6(3) . . . .
N26 Co4 N30 C114 -91.9(3) . . . .
N28 Co4 N30 C114 141.0(3) . . . .
N25 Co4 N30 C114 -158.9(3) . . . .
C17 N1 C1 C2 -141.0(3) . . . .
C9 N1 C1 C2 90.1(3) . . . .
Co1 N1 C1 C2 -24.7(3) . . . .
C8 N2 C2 N3 -0.8(4) . . . .
Co1 N2 C2 N3 174.0(2) . . . .
C8 N2 C2 C1 177.1(3) . . . .
Co1 N2 C2 C1 -8.1(4) . . . .
C3 N3 C2 N2 -0.1(4) . . . .
C3 N3 C2 C1 -178.0(3) . . . .
N1 C1 C2 N2 24.2(4) . . . .
N1 C1 C2 N3 -158.2(3) . . . .
C2 N3 C3 C4 -177.2(4) . . . .
C2 N3 C3 C8 1.0(4) . . . .
N3 C3 C4 C5 178.1(4) . . . .
C8 C3 C4 C5 0.2(5) . . . .
C3 C4 C5 C6 2.1(5) . . . .
C4 C5 C6 C7 -2.3(6) . . . .
C5 C6 C7 C8 0.2(6) . . . .
C2 N2 C8 C7 -179.6(4) . . . .
Co1 N2 C8 C7 6.8(6) . . . .
C2 N2 C8 C3 1.5(4) . . . .
Co1 N2 C8 C3 -172.1(2) . . . .
C6 C7 C8 N2 -176.9(3) . . . .
C6 C7 C8 C3 2.0(5) . . . .
N3 C3 C8 N2 -1.5(4) . . . .
C4 C3 C8 N2 176.8(3) . . . .
N3 C3 C8 C7 179.4(3) . . . .
C4 C3 C8 C7 -2.2(5) . . . .
C1 N1 C9 C10 -156.1(3) . . . .
C17 N1 C9 C10 74.6(3) . . . .
Co1 N1 C9 C10 -39.4(3) . . . .
C16 N4 C10 N5 -0.5(4) . . . .
Co1 N4 C10 N5 177.5(2) . . . .
C16 N4 C10 C9 -179.7(3) . . . .
Co1 N4 C10 C9 -1.7(4) . . . .
C11 N5 C10 N4 0.0(4) . . . .
C11 N5 C10 C9 179.2(3) . . . .
N1 C9 C10 N4 31.8(4) . . . .
N1 C9 C10 N5 -147.4(3) . . . .
C10 N5 C11 C12 -177.4(4) . . . .
C10 N5 C11 C16 0.5(4) . . . .
N5 C11 C12 C13 179.6(3) . . . .
C16 C11 C12 C13 1.9(5) . . . .
C11 C12 C13 C14 -1.0(5) . . . .
C12 C13 C14 C15 -0.2(6) . . . .
C13 C14 C15 C16 0.6(5) . . . .
C14 C15 C16 N4 -178.5(3) . . . .
C14 C15 C16 C11 0.3(5) . . . .
C10 N4 C16 C15 179.6(3) . . . .
Co1 N4 C16 C15 2.2(6) . . . .
C10 N4 C16 C11 0.7(4) . . . .
Co1 N4 C16 C11 -176.7(2) . . . .
C12 C11 C16 C15 -1.6(5) . . . .
N5 C11 C16 C15 -179.8(3) . . . .
C12 C11 C16 N4 177.4(3) . . . .
N5 C11 C16 N4 -0.8(4) . . . .
C1 N1 C17 C18 85.5(3) . . . .
C9 N1 C17 C18 -145.5(3) . . . .
Co1 N1 C17 C18 -32.2(3) . . . .
C24 N6 C18 N7 -0.1(4) . . . .
Co1 N6 C18 N7 179.8(2) . . . .
C24 N6 C18 C17 179.5(3) . . . .
Co1 N6 C18 C17 -0.5(4) . . . .
C19 N7 C18 N6 -0.3(4) . . . .
C19 N7 C18 C17 -179.9(3) . . . .
N1 C17 C18 N6 25.6(5) . . . .
N1 C17 C18 N7 -154.8(3) . . . .
C18 N7 C19 C20 -177.1(4) . . . .
C18 N7 C19 C24 0.6(4) . . . .
N7 C19 C20 C21 177.0(4) . . . .
C24 C19 C20 C21 -0.3(5) . . . .
C19 C20 C21 C22 1.6(5) . . . .
C20 C21 C22 C23 -2.0(6) . . . .
C21 C22 C23 C24 0.8(5) . . . .
C18 N6 C24 C23 178.2(4) . . . .
Co1 N6 C24 C23 -1.7(6) . . . .
C18 N6 C24 C19 0.5(4) . . . .
Co1 N6 C24 C19 -179.5(2) . . . .
C22 C23 C24 N6 -177.0(3) . . . .
C22 C23 C24 C19 0.5(5) . . . .
N7 C19 C24 N6 -0.6(4) . . . .
C20 C19 C24 N6 177.3(3) . . . .
N7 C19 C24 C23 -178.7(3) . . . .
C20 C19 C24 C23 -0.8(5) . . . .
Co1 O1 C25 O2 -5.2(4) . . . .
Co1 O1 C25 C28 175.6(2) . . . .
C30 N8 C26 C27 -0.7(5) . . . .
N8 C26 C27 C28 -0.7(6) . . . .
C26 C27 C28 C29 1.5(5) . . . .
C26 C27 C28 C25 -176.0(3) . . . .
O2 C25 C28 C27 2.3(5) . . . .
O1 C25 C28 C27 -178.5(3) . . . .
O2 C25 C28 C29 -175.1(3) . . . .
O1 C25 C28 C29 4.1(5) . . . .
C27 C28 C29 C30 -0.9(5) . . . .
C25 C28 C29 C30 176.5(3) . . . .
C26 N8 C30 C29 1.2(6) . . . .
C28 C29 C30 N8 -0.4(6) . . . .
C39 N9 C31 C32 -84.2(3) . . . .
C47 N9 C31 C32 146.4(3) . . . .
Co2 N9 C31 C32 32.8(3) . . . .
C38 N10 C32 N11 0.6(4) . . . .
Co2 N10 C32 N11 176.6(2) . . . .
C38 N10 C32 C31 -179.6(3) . . . .
Co2 N10 C32 C31 -3.6(4) . . . .
C33 N11 C32 N10 -0.4(4) . . . .
C33 N11 C32 C31 179.8(3) . . . .
N9 C31 C32 N10 -23.4(4) . . . .
N9 C31 C32 N11 156.3(3) . . . .
C32 N11 C33 C34 178.4(4) . . . .
C32 N11 C33 C38 0.0(4) . . . .
N11 C33 C34 C35 -178.4(3) . . . .
C38 C33 C34 C35 -0.2(5) . . . .
C33 C34 C35 C36 -0.7(5) . . . .
C34 C35 C36 C37 0.7(6) . . . .
C35 C36 C37 C38 0.1(5) . . . .
C32 N10 C38 C37 -179.7(3) . . . .
Co2 N10 C38 C37 5.3(5) . . . .
C32 N10 C38 C33 -0.6(4) . . . .
Co2 N10 C38 C33 -175.5(2) . . . .
C36 C37 C38 N10 178.1(3) . . . .
C36 C37 C38 C33 -0.9(5) . . . .
N11 C33 C38 N10 0.3(4) . . . .
C34 C33 C38 N10 -178.3(3) . . . .
N11 C33 C38 C37 179.6(3) . . . .
C34 C33 C38 C37 1.0(5) . . . .
C47 N9 C39 C40 -92.1(3) . . . .
C31 N9 C39 C40 139.3(3) . . . .
Co2 N9 C39 C40 23.6(3) . . . .
C46 N12 C40 N13 0.3(4) . . . .
Co2 N12 C40 N13 176.4(2) . . . .
C46 N12 C40 C39 -177.5(3) . . . .
Co2 N12 C40 C39 -1.4(4) . . . .
C41 N13 C40 N12 -0.4(4) . . . .
C41 N13 C40 C39 177.3(3) . . . .
N9 C39 C40 N12 -17.4(5) . . . .
N9 C39 C40 N13 165.1(3) . . . .
C40 N13 C41 C42 178.8(4) . . . .
C40 N13 C41 C46 0.4(4) . . . .
N13 C41 C42 C43 -178.6(4) . . . .
C46 C41 C42 C43 -0.4(5) . . . .
C41 C42 C43 C44 0.3(6) . . . .
C42 C43 C44 C45 -0.2(6) . . . .
C43 C44 C45 C46 0.1(6) . . . .
C44 C45 C46 N12 178.7(4) . . . .
C44 C45 C46 C41 -0.2(5) . . . .
C40 N12 C46 C45 -179.1(4) . . . .
Co2 N12 C46 C45 5.8(6) . . . .
C40 N12 C46 C41 -0.1(4) . . . .
Co2 N12 C46 C41 -175.1(2) . . . .
N13 C41 C46 C45 179.0(3) . . . .
C42 C41 C46 C45 0.4(5) . . . .
N13 C41 C46 N12 -0.2(4) . . . .
C42 C41 C46 N12 -178.8(3) . . . .
C39 N9 C47 C48 155.9(3) . . . .
C31 N9 C47 C48 -75.2(3) . . . .
Co2 N9 C47 C48 38.6(3) . . . .
C54 N14 C48 N15 0.1(4) . . . .
Co2 N14 C48 N15 -175.2(2) . . . .
C54 N14 C48 C47 179.0(3) . . . .
Co2 N14 C48 C47 3.6(4) . . . .
C49 N15 C48 N14 0.9(4) . . . .
C49 N15 C48 C47 -177.9(3) . . . .
N9 C47 C48 N14 -32.2(4) . . . .
N9 C47 C48 N15 146.5(3) . . . .
C48 N15 C49 C50 175.4(4) . . . .
C48 N15 C49 C54 -1.5(4) . . . .
N15 C49 C50 C51 -179.9(3) . . . .
C54 C49 C50 C51 -3.5(5) . . . .
C49 C50 C51 C52 0.9(5) . . . .
C50 C51 C52 C53 1.6(5) . . . .
C51 C52 C53 C54 -1.6(5) . . . .
C48 N14 C54 C53 179.9(3) . . . .
Co2 N14 C54 C53 -6.0(6) . . . .
C48 N14 C54 C49 -1.1(4) . . . .
Co2 N14 C54 C49 172.9(2) . . . .
C52 C53 C54 N14 178.0(3) . . . .
C52 C53 C54 C49 -0.9(5) . . . .
N15 C49 C54 N14 1.6(4) . . . .
C50 C49 C54 N14 -175.6(3) . . . .
N15 C49 C54 C53 -179.2(3) . . . .
C50 C49 C54 C53 3.5(5) . . . .
Co2 O3 C55 O4 1.4(5) . . . .
Co2 O3 C55 C58 179.1(2) . . . .
C60 N16 C56 C57 0.0(5) . . . .
N16 C56 C57 C58 -0.7(5) . . . .
C56 C57 C58 C59 0.9(5) . . . .
C56 C57 C58 C55 -177.8(3) . . . .
O4 C55 C58 C57 158.1(3) . . . .
O3 C55 C58 C57 -19.8(5) . . . .
O4 C55 C58 C59 -20.7(5) . . . .
O3 C55 C58 C59 161.5(3) . . . .
C57 C58 C59 C60 -0.4(5) . . . .
C55 C58 C59 C60 178.4(3) . . . .
C56 N16 C60 C59 0.6(6) . . . .
C58 C59 C60 N16 -0.4(6) . . . .
C77 N17 C61 C62 -154.8(3) . . . .
C69 N17 C61 C62 75.8(3) . . . .
Co3 N17 C61 C62 -38.6(3) . . . .
C63 N19 C62 N18 -0.7(4) . . . .
C63 N19 C62 C61 177.4(3) . . . .
C68 N18 C62 N19 -0.4(4) . . . .
Co3 N18 C62 N19 176.1(2) . . . .
C68 N18 C62 C61 -178.6(3) . . . .
Co3 N18 C62 C61 -2.1(4) . . . .
N17 C61 C62 N19 -146.5(3) . . . .
N17 C61 C62 N18 31.4(4) . . . .
C62 N19 C63 C64 -175.5(4) . . . .
C62 N19 C63 C68 1.5(4) . . . .
N19 C63 C64 C65 178.9(3) . . . .
C68 C63 C64 C65 2.4(5) . . . .
C63 C64 C65 C66 -1.4(5) . . . .
C64 C65 C66 C67 -0.1(5) . . . .
C65 C66 C67 C68 0.6(5) . . . .
C62 N18 C68 C67 178.5(3) . . . .
Co3 N18 C68 C67 2.9(6) . . . .
C62 N18 C68 C63 1.4(4) . . . .
Co3 N18 C68 C63 -174.3(2) . . . .
C66 C67 C68 N18 -176.5(3) . . . .
C66 C67 C68 C63 0.4(5) . . . .
C64 C63 C68 N18 175.5(3) . . . .
N19 C63 C68 N18 -1.8(4) . . . .
C64 C63 C68 C67 -2.0(5) . . . .
N19 C63 C68 C67 -179.3(3) . . . .
C77 N17 C69 C70 89.6(3) . . . .
C61 N17 C69 C70 -141.5(3) . . . .
Co3 N17 C69 C70 -28.2(3) . . . .
C76 N20 C70 N21 0.1(4) . . . .
Co3 N20 C70 N21 -178.2(2) . . . .
C76 N20 C70 C69 178.6(3) . . . .
Co3 N20 C70 C69 0.3(4) . . . .
C71 N21 C70 N20 -0.3(4) . . . .
C71 N21 C70 C69 -178.8(3) . . . .
N17 C69 C70 N20 21.9(4) . . . .
N17 C69 C70 N21 -159.8(3) . . . .
C70 N21 C71 C72 -177.0(4) . . . .
C70 N21 C71 C76 0.4(4) . . . .
N21 C71 C72 C73 178.0(4) . . . .
C76 C71 C72 C73 1.0(5) . . . .
C71 C72 C73 C74 -0.2(5) . . . .
C72 C73 C74 C75 -0.5(6) . . . .
C73 C74 C75 C76 0.5(5) . . . .
C74 C75 C76 N20 -177.8(3) . . . .
C74 C75 C76 C71 0.2(5) . . . .
C70 N20 C76 C75 178.3(3) . . . .
Co3 N20 C76 C75 -3.7(5) . . . .
C70 N20 C76 C71 0.1(4) . . . .
Co3 N20 C76 C71 178.1(2) . . . .
N21 C71 C76 C75 -178.7(3) . . . .
C72 C71 C76 C75 -1.0(5) . . . .
N21 C71 C76 N20 -0.3(4) . . . .
C72 C71 C76 N20 177.4(3) . . . .
C61 N17 C77 C78 85.4(3) . . . .
C69 N17 C77 C78 -145.8(3) . . . .
Co3 N17 C77 C78 -28.8(3) . . . .
C84 N22 C78 N23 -0.2(4) . . . .
Co3 N22 C78 N23 172.2(2) . . . .
C84 N22 C78 C77 177.9(3) . . . .
Co3 N22 C78 C77 -9.7(4) . . . .
C79 N23 C78 N22 -0.8(4) . . . .
C79 N23 C78 C77 -178.8(3) . . . .
N17 C77 C78 N22 28.3(4) . . . .
N17 C77 C78 N23 -153.8(3) . . . .
C78 N23 C79 C84 1.3(4) . . . .
C78 N23 C79 C80 -175.5(3) . . . .
N23 C79 C80 C81 178.8(3) . . . .
C84 C79 C80 C81 2.4(5) . . . .
C79 C80 C81 C82 0.0(5) . . . .
C80 C81 C82 C83 -1.1(6) . . . .
C81 C82 C83 C84 -0.2(5) . . . .
N23 C79 C84 C83 179.0(3) . . . .
C80 C79 C84 C83 -3.8(5) . . . .
N23 C79 C84 N22 -1.5(3) . . . .
C80 C79 C84 N22 175.7(3) . . . .
C82 C83 C84 C79 2.5(5) . . . .
C82 C83 C84 N22 -176.9(3) . . . .
C78 N22 C84 C79 1.0(3) . . . .
Co3 N22 C84 C79 -169.4(2) . . . .
C78 N22 C84 C83 -179.5(4) . . . .
Co3 N22 C84 C83 10.1(6) . . . .
Co3 O5 C85 O6 -3.0(4) . . . .
Co3 O5 C85 C88 177.9(2) . . . .
C90 N24 C86 C87 0.1(6) . . . .
N24 C86 C87 C88 -0.5(6) . . . .
C86 C87 C88 C89 1.1(6) . . . .
C86 C87 C88 C85 178.6(3) . . . .
O6 C85 C88 C89 9.8(5) . . . .
O5 C85 C88 C89 -171.0(3) . . . .
O6 C85 C88 C87 -167.7(3) . . . .
O5 C85 C88 C87 11.5(5) . . . .
C87 C88 C89 C90 -1.4(6) . . . .
C85 C88 C89 C90 -179.0(3) . . . .
C86 N24 C90 C89 -0.5(6) . . . .
C88 C89 C90 N24 1.1(6) . . . .
C99 N25 C91 C92 -82.9(3) . . . .
C107 N25 C91 C92 147.3(3) . . . .
Co4 N25 C91 C92 33.8(3) . . . .
C98 N26 C92 N27 0.1(4) . . . .
Co4 N26 C92 N27 176.5(2) . . . .
C98 N26 C92 C91 179.8(3) . . . .
Co4 N26 C92 C91 -3.8(4) . . . .
C93 N27 C92 N26 0.2(4) . . . .
C93 N27 C92 C91 -179.5(3) . . . .
N25 C91 C92 N26 -24.0(4) . . . .
N25 C91 C92 N27 155.6(3) . . . .
C92 N27 C93 C94 177.0(4) . . . .
C92 N27 C93 C98 -0.4(4) . . . .
N27 C93 C94 C95 -177.7(3) . . . .
C98 C93 C94 C95 -0.7(5) . . . .
C93 C94 C95 C96 -1.1(5) . . . .
C94 C95 C96 C97 2.2(5) . . . .
C95 C96 C97 C98 -1.4(5) . . . .
C92 N26 C98 C97 -178.9(3) . . . .
Co4 N26 C98 C97 5.5(5) . . . .
C92 N26 C98 C93 -0.3(4) . . . .
Co4 N26 C98 C93 -175.9(2) . . . .
C96 C97 C98 N26 178.1(3) . . . .
C96 C97 C98 C93 -0.4(5) . . . .
C94 C93 C98 N26 -177.3(3) . . . .
N27 C93 C98 N26 0.4(4) . . . .
C94 C93 C98 C97 1.5(5) . . . .
N27 C93 C98 C97 179.2(3) . . . .
C91 N25 C99 C100 140.6(3) . . . .
C107 N25 C99 C100 -90.0(3) . . . .
Co4 N25 C99 C100 24.9(3) . . . .
C106 N28 C100 N29 0.5(4) . . . .
Co4 N28 C100 N29 179.9(2) . . . .
C106 N28 C100 C99 -177.4(3) . . . .
Co4 N28 C100 C99 2.0(4) . . . .
C101 N29 C100 N28 -0.6(4) . . . .
C101 N29 C100 C99 177.2(3) . . . .
N25 C99 C100 N28 -20.7(5) . . . .
N25 C99 C100 N29 161.7(3) . . . .
C100 N29 C101 C102 177.8(4) . . . .
C100 N29 C101 C106 0.5(4) . . . .
N29 C101 C102 C103 -178.5(4) . . . .
C106 C101 C102 C103 -1.6(5) . . . .
C101 C102 C103 C104 -0.4(6) . . . .
C102 C103 C104 C105 1.1(6) . . . .
C103 C104 C105 C106 0.3(6) . . . .
C104 C105 C106 N28 178.8(4) . . . .
C104 C105 C106 C101 -2.3(5) . . . .
C100 N28 C106 C105 178.9(4) . . . .
Co4 N28 C106 C105 -0.4(6) . . . .
C100 N28 C106 C101 -0.1(4) . . . .
Co4 N28 C106 C101 -179.4(3) . . . .
N29 C101 C106 C105 -179.4(3) . . . .
C102 C101 C106 C105 3.0(5) . . . .
N29 C101 C106 N28 -0.2(4) . . . .
C102 C101 C106 N28 -177.8(3) . . . .
C99 N25 C107 C108 155.0(3) . . . .
C91 N25 C107 C108 -75.3(3) . . . .
Co4 N25 C107 C108 38.6(3) . . . .
C114 N30 C108 N31 -0.1(4) . . . .
Co4 N30 C108 N31 -178.3(2) . . . .
C114 N30 C108 C107 177.2(3) . . . .
Co4 N30 C108 C107 -0.9(4) . . . .
C109 N31 C108 N30 0.5(4) . . . .
C109 N31 C108 C107 -176.7(3) . . . .
N25 C107 C108 N30 -29.4(4) . . . .
N25 C107 C108 N31 147.6(3) . . . .
C108 N31 C109 C110 176.2(4) . . . .
C108 N31 C109 C114 -0.7(4) . . . .
N31 C109 C110 C111 -178.8(4) . . . .
C114 C109 C110 C111 -2.4(5) . . . .
C109 C110 C111 C112 0.6(6) . . . .
C110 C111 C112 C113 0.9(6) . . . .
C111 C112 C113 C114 -0.5(5) . . . .
C108 N30 C114 C113 -179.7(3) . . . .
Co4 N30 C114 C113 -2.1(6) . . . .
C108 N30 C114 C109 -0.3(4) . . . .
Co4 N30 C114 C109 177.4(2) . . . .
C112 C113 C114 N30 178.1(3) . . . .
C112 C113 C114 C109 -1.3(5) . . . .
N31 C109 C114 N30 0.6(4) . . . .
C110 C109 C114 N30 -176.6(3) . . . .
N31 C109 C114 C113 -179.9(3) . . . .
C110 C109 C114 C113 2.9(5) . . . .
Co4 O7 C115 O8 0.6(4) . . . .
Co4 O7 C115 C118 178.8(2) . . . .
C120 N32 C116 C117 -0.3(6) . . . .
N32 C116 C117 C118 -0.2(7) . . . .
C116 C117 C118 C119 1.5(6) . . . .
C116 C117 C118 C115 -176.7(4) . . . .
O8 C115 C118 C117 179.7(3) . . . .
O7 C115 C118 C117 1.4(5) . . . .
O8 C115 C118 C119 1.6(5) . . . .
O7 C115 C118 C119 -176.8(3) . . . .
C117 C118 C119 C120 -2.2(6) . . . .
C115 C118 C119 C120 176.0(3) . . . .
C116 N32 C120 C119 -0.5(6) . . . .
C118 C119 C120 N32 1.7(6) . . . .
