#------------------------------------------------------------------------------
#$Date: 2019-11-28 16:09:24 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244084 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/81/7238150.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_7238150
loop_
_publ_author_name
'Liu, Yang'
'Qi, Yan'
'Su, Yan-Hua'
'Zhao, Fang-Hua'
'Che, Yun-Xia'
'Zheng, Ji-Min'
_publ_section_title
;
 Five novel cobalt coordination polymers: effect of metal--ligand ratio
 and structure characteristics of flexible bis(imidazole) ligands
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              3283
_journal_paper_doi               10.1039/b925829a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C58 H58 Co2 N12 O11'
_chemical_formula_weight         1217.02
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.48(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.757(4)
_cell_length_b                   15.943(3)
_cell_length_c                   21.933(9)
_cell_measurement_temperature    296(2)
_cell_volume                     5765(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0699
_diffrn_reflns_av_sigmaI/netI    0.0623
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            52443
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    0.646
_exptl_absorpt_correction_T_max  0.8816
_exptl_absorpt_correction_T_min  0.8816
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.634
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     746
_refine_ls_number_reflns         13046
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0912
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0588P)²+1.4853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1275
_reflns_number_gt                8621
_reflns_number_total             13046
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b925829a.txt
_cod_data_source_block           shelxl2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7238150
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
C1 C 0.50592(17) 0.17419(16) 0.62500(14) 0.0318(6) Uani 1 1 d . . .
C2 C 0.37754(16) 0.38834(16) 0.72755(15) 0.0340(6) Uani 1 1 d . . .
H2 H 0.4220 0.3974 0.7709 0.041 Uiso 1 1 calc R . .
C3 C 0.11262(16) 0.69413(16) 0.74904(15) 0.0347(6) Uani 1 1 d . . .
H3 H 0.0676 0.6870 0.7057 0.042 Uiso 1 1 calc R . .
C4 C 0.39937(17) -0.17304(16) 0.56834(14) 0.0349(6) Uani 1 1 d . . .
C5 C 0.38185(18) -0.02442(17) 0.59613(15) 0.0380(7) Uani 1 1 d . . .
H5 H 0.3346 -0.0407 0.5968 0.046 Uiso 1 1 calc R . .
C6 C 0.37137(17) -0.21840(16) 0.60771(14) 0.0350(6) Uani 1 1 d . . .
C7 C 0.47630(16) 0.08470(16) 0.60801(13) 0.0307(6) Uani 1 1 d . . .
C8 C 0.42761(17) -0.08439(16) 0.58402(14) 0.0323(6) Uani 1 1 d . . .
C9 C 0.40518(17) 0.05868(16) 0.60720(14) 0.0356(6) Uani 1 1 d . . .
H9 H 0.3729 0.0977 0.6142 0.043 Uiso 1 1 calc R . .
C10 C 0.52158(18) 0.02553(17) 0.59471(15) 0.0390(7) Uani 1 1 d . . .
H10 H 0.5688 0.0420 0.5940 0.047 Uiso 1 1 calc R . .
C11 C 0.51521(19) 0.61510(18) 0.72579(16) 0.0420(7) Uani 1 1 d . . .
H11 H 0.4961 0.6683 0.7277 0.050 Uiso 1 1 calc R . .
C12 C -0.12151(17) 0.77184(16) 0.65575(15) 0.0367(6) Uani 1 1 d . . .
C13 C 0.23777(18) 0.6996(2) 0.83092(16) 0.0473(8) Uani 1 1 d . . .
H13 H 0.2941 0.6974 0.8552 0.057 Uiso 1 1 calc R . .
C14 C 0.21599(19) 0.65726(17) 0.71204(16) 0.0411(7) Uani 1 1 d . . .
H14A H 0.2475 0.7023 0.7068 0.049 Uiso 1 1 calc R . .
H14B H 0.1688 0.6479 0.6673 0.049 Uiso 1 1 calc R . .
C15 C 0.2234(2) 0.50351(18) 0.74247(19) 0.0486(8) Uani 1 1 d . . .
H15A H 0.1746 0.4940 0.6989 0.058 Uiso 1 1 calc R . .
H15B H 0.2069 0.5164 0.7771 0.058 Uiso 1 1 calc R . .
C16 C 0.49737(17) -0.05803(17) 0.58238(15) 0.0380(7) Uani 1 1 d . . .
H16 H 0.5281 -0.0965 0.5730 0.046 Uiso 1 1 calc R . .
C17 C 0.30420(17) 0.35749(19) 0.62041(16) 0.0457(7) Uani 1 1 d . . .
H17 H 0.2887 0.3411 0.5751 0.055 Uiso 1 1 calc R . .
C18 C 0.18748(17) 0.72002(19) 0.85641(16) 0.0440(7) Uani 1 1 d . . .
H18 H 0.2041 0.7342 0.9024 0.053 Uiso 1 1 calc R . .
C19 C 0.2729(2) 0.42342(18) 0.76336(17) 0.0428(7) Uani 1 1 d . . .
H19A H 0.3199 0.4313 0.8085 0.051 Uiso 1 1 calc R . .
H19B H 0.2404 0.3786 0.7674 0.051 Uiso 1 1 calc R . .
C20 C 0.47060(19) 0.54464(17) 0.69995(16) 0.0411(7) Uani 1 1 d . . .
H20 H 0.4146 0.5414 0.6813 0.049 Uiso 1 1 calc R . .
C21 C 0.59419(19) 0.50956(16) 0.73491(15) 0.0382(7) Uani 1 1 d . . .
H21 H 0.6407 0.4787 0.7453 0.046 Uiso 1 1 calc R . .
C22 C -0.13321(17) 0.79092(17) 0.58397(15) 0.0383(7) Uani 1 1 d . . .
C23 C 0.3325(2) -0.33273(19) 0.52609(17) 0.0501(8) Uani 1 1 d . . .
H23 H 0.3094 -0.3855 0.5117 0.060 Uiso 1 1 calc R . .
C24 C 0.09021(19) 0.43498(17) 1.23237(16) 0.0410(7) Uani 1 1 d . . .
H24 H 0.1389 0.4067 1.2460 0.049 Uiso 1 1 calc R . .
C25 C 0.39510(19) -0.21101(18) 0.50945(15) 0.0434(7) Uani 1 1 d . . .
H25 H 0.4141 -0.1823 0.4832 0.052 Uiso 1 1 calc R . .
C26 C 0.33608(19) -0.29658(18) 0.58473(16) 0.0458(8) Uani 1 1 d . . .
H26 H 0.3145 -0.3251 0.6092 0.055 Uiso 1 1 calc R . .
C27 C 0.3629(2) -0.29090(19) 0.48927(17) 0.0503(8) Uani 1 1 d . . .
H27 H 0.3621 -0.3159 0.4506 0.060 Uiso 1 1 calc R . .
C28 C -0.0348(2) 0.46206(18) 1.19562(17) 0.0481(8) Uani 1 1 d . . .
H28 H -0.0902 0.4551 1.1790 0.058 Uiso 1 1 calc R . .
C29 C 0.2670(2) 0.57785(18) 0.73449(19) 0.0482(8) Uani 1 1 d . . .
H29A H 0.2845 0.5647 0.7005 0.058 Uiso 1 1 calc R . .
H29B H 0.3152 0.5883 0.7784 0.058 Uiso 1 1 calc R . .
C30 C 0.25275(18) 0.3784(2) 0.64508(17) 0.0480(8) Uani 1 1 d . . .
H30 H 0.1964 0.3791 0.6204 0.058 Uiso 1 1 calc R . .
C31 C 0.5533(2) 0.6543(2) 0.48134(16) 0.0526(9) Uani 1 1 d . . .
H31 H 0.5350 0.7094 0.4759 0.063 Uiso 1 1 calc R . .
C32 C -0.16591(19) 0.86914(19) 0.55596(19) 0.0531(9) Uani 1 1 d . . .
H32 H -0.1836 0.9042 0.5800 0.064 Uiso 1 1 calc R . .
C33 C 0.1107(2) 0.7558(3) 0.97037(19) 0.0640(10) Uani 1 1 d . . .
H33 H 0.1280 0.8087 0.9651 0.077 Uiso 1 1 calc R . .
C34 C 0.0035(2) 0.53634(19) 1.20875(18) 0.0518(8) Uani 1 1 d . . .
H34 H -0.0200 0.5892 1.2026 0.062 Uiso 1 1 calc R . .
C35 C 0.6707(2) 0.7000(2) 0.72300(19) 0.0618(10) Uani 1 1 d . . .
H35A H 0.7213 0.7310 0.7449 0.074 Uiso 1 1 calc R . .
H35B H 0.6268 0.7404 0.7057 0.074 Uiso 1 1 calc R . .
C36 C 0.6652(2) 0.6470(2) 0.77653(18) 0.0542(9) Uani 1 1 d . . .
H36A H 0.7136 0.6128 0.7993 0.065 Uiso 1 1 calc R . .
H36B H 0.6635 0.6833 0.8114 0.065 Uiso 1 1 calc R . .
C37 C -0.1458(2) 0.8444(2) 0.45807(19) 0.0606(10) Uani 1 1 d . . .
H37 H -0.1485 0.8626 0.4167 0.073 Uiso 1 1 calc R . .
C38 C -0.1727(2) 0.8958(2) 0.4935(2) 0.0626(10) Uani 1 1 d . . .
H38 H -0.1952 0.9478 0.4755 0.075 Uiso 1 1 calc R . .
C39 C 0.0500(3) 0.6396(2) 0.9485(2) 0.0629(10) Uani 1 1 d . B .
H39 H 0.0169 0.5945 0.9249 0.075 Uiso 1 1 calc R . .
C40 C 0.5991(3) 0.5331(2) 0.52710(19) 0.0777(13) Uani 1 1 d . . .
H40 H 0.6191 0.4885 0.5580 0.093 Uiso 1 1 calc R . .
C41 C 0.6668(2) 0.6509(2) 0.66086(19) 0.0597(9) Uani 1 1 d . . .
H41A H 0.6985 0.6801 0.6432 0.072 Uiso 1 1 calc R . .
H41B H 0.6905 0.5958 0.6763 0.072 Uiso 1 1 calc R . .
C42 C 0.1352(3) 0.7155(4) 1.0309(2) 0.0979(18) Uani 1 1 d . B .
H42 H 0.1726 0.7346 1.0747 0.118 Uiso 1 1 calc R . .
C43 C 0.5842(3) 0.5341(2) 0.46119(19) 0.0727(12) Uani 1 1 d . . .
H43 H 0.5918 0.4887 0.4384 0.087 Uiso 1 1 calc R . .
C44 C -0.07890(18) 0.65109(16) 0.56912(14) 0.0364(6) Uani 1 1 d . . .
C45 C 0.38351(17) -0.18932(16) 0.67743(15) 0.0344(6) Uani 1 1 d . . .
C46 C -0.02353(18) 0.48585(16) 0.60993(15) 0.0363(6) Uani 1 1 d . . .
C47 C -0.10844(18) 0.73751(17) 0.54706(15) 0.0384(7) Uani 1 1 d . . .
C48 C -0.11755(19) 0.59696(17) 0.59475(16) 0.0413(7) Uani 1 1 d . . .
H48 H -0.1623 0.6159 0.5984 0.050 Uiso 1 1 calc R . .
C49 C 0.01020(18) 0.39910(16) 0.63521(15) 0.0365(6) Uani 1 1 d . . .
C50 C 0.01321(18) 0.53775(17) 0.58210(16) 0.0400(7) Uani 1 1 d . . .
H50 H 0.0567 0.5178 0.5771 0.048 Uiso 1 1 calc R . .
C51 C -0.09020(18) 0.51645(17) 0.61448(16) 0.0404(7) Uani 1 1 d . . .
H51 H -0.1168 0.4817 0.6312 0.048 Uiso 1 1 calc R . .
C52 C -0.01430(19) 0.61864(18) 0.56184(15) 0.0416(7) Uani 1 1 d . . .
H52 H 0.0108 0.6522 0.5430 0.050 Uiso 1 1 calc R . .
C53 C -0.1150(2) 0.76626(19) 0.48403(16) 0.0481(8) Uani 1 1 d . . .
H53 H -0.0981 0.7317 0.4592 0.058 Uiso 1 1 calc R . .
C54 C 0.5819(2) 0.6416(3) 0.60420(18) 0.0679(11) Uani 1 1 d . . .
H54A H 0.5532 0.6025 0.6187 0.081 Uiso 1 1 calc R . .
H54B H 0.5546 0.6953 0.5955 0.081 Uiso 1 1 calc R . .
C55 C 0.1494(2) 0.5798(2) 1.25004(19) 0.0614(10) Uani 1 1 d . . .
H55A H 0.2013 0.5519 1.2763 0.074 Uiso 1 1 calc R A 1
H55B H 0.1456 0.6238 1.2789 0.074 Uiso 1 1 calc R A 1
C56A C 0.1437(4) 0.5594(4) 1.1280(4) 0.061(2) Uiso 0.541(6) 1 d P B 1
H56A H 0.1932 0.5670 1.1250 0.073 Uiso 0.541(6) 1 calc PR B 1
H56B H 0.1446 0.5030 1.1449 0.073 Uiso 0.541(6) 1 calc PR B 1
C57A C 0.0731(4) 0.5660(4) 1.0560(3) 0.057(2) Uiso 0.541(6) 1 d P B 1
H57A H 0.0239 0.5794 1.0581 0.068 Uiso 0.541(6) 1 calc PR B 1
H57B H 0.0651 0.5133 1.0315 0.068 Uiso 0.541(6) 1 calc PR B 1
C58A C 0.1448(4) 0.6206(4) 1.1814(4) 0.0515(17) Uiso 0.541(6) 1 d P B 1
H58A H 0.0964 0.6549 1.1594 0.062 Uiso 0.541(6) 1 calc PR B 1
H58B H 0.1911 0.6575 1.1952 0.062 Uiso 0.541(6) 1 calc PR B 1
C56B C 0.1136(5) 0.6159(5) 1.1333(4) 0.057(2) Uiso 0.459(6) 1 d P B 2
H56C H 0.1107 0.6764 1.1365 0.068 Uiso 0.459(6) 1 calc PR B 2
H56D H 0.0606 0.5927 1.1209 0.068 Uiso 0.459(6) 1 calc PR B 2
C57B C 0.1387(5) 0.5926(5) 1.0769(4) 0.054(2) Uiso 0.459(6) 1 d P B 2
H57C H 0.1963 0.6024 1.0951 0.065 Uiso 0.459(6) 1 calc PR B 2
H57D H 0.1283 0.5335 1.0656 0.065 Uiso 0.459(6) 1 calc PR B 2
C58B C 0.1764(5) 0.5805(5) 1.2024(4) 0.052(2) Uiso 0.459(6) 1 d P B 2
H58C H 0.1899 0.5238 1.1956 0.063 Uiso 0.459(6) 1 calc PR B 2
H58D H 0.2254 0.6140 1.2199 0.063 Uiso 0.459(6) 1 calc PR B 2
Co1 Co 0.49175(2) 0.35337(2) 0.671330(18) 0.02567(10) Uani 1 1 d . . .
Co2 Co 0.00150(2) 0.72967(2) 0.809696(18) 0.02676(10) Uani 1 1 d . . .
N1 N 0.05598(15) 0.70628(15) 0.91740(13) 0.0412(6) Uani 1 1 d . . .
N2 N 0.0946(3) 0.6412(2) 1.01585(18) 0.0936(14) Uani 1 1 d . . .
N3 N 0.08369(17) 0.51885(14) 1.23290(14) 0.0464(6) Uani 1 1 d . B .
N4 N 0.52040(14) 0.47826(14) 0.70528(12) 0.0349(5) Uani 1 1 d . . .
N5 N 0.59400(15) 0.59215(14) 0.74842(12) 0.0389(6) Uani 1 1 d . . .
N6 N 0.57894(19) 0.61107(17) 0.53989(14) 0.0587(8) Uani 1 1 d . . .
N7 N 0.38294(13) 0.36419(13) 0.67264(12) 0.0342(5) Uani 1 1 d . . .
N8 N 0.30014(14) 0.39842(13) 0.71353(13) 0.0360(5) Uani 1 1 d . . .
N9 N 0.18938(14) 0.68255(14) 0.76219(12) 0.0352(5) Uani 1 1 d . . .
N10 N 0.10868(13) 0.71707(13) 0.80539(12) 0.0344(5) Uani 1 1 d . . .
N11 N 0.01995(14) 0.39762(14) 1.21032(13) 0.0382(6) Uani 1 1 d . . .
N12 N 0.55655(15) 0.61060(15) 0.43197(12) 0.0403(6) Uani 1 1 d . . .
O1 O 0.56995(12) 0.19208(12) 0.62276(12) 0.0464(5) Uani 1 1 d . . .
O2 O 0.46524(12) 0.22502(11) 0.63959(10) 0.0371(4) Uani 1 1 d . . .
O3 O 0.32242(12) -0.17838(14) 0.68524(11) 0.0512(6) Uani 1 1 d . . .
O4 O 0.45642(11) -0.18240(11) 0.72389(10) 0.0364(4) Uani 1 1 d . . .
O5 O -0.02255(12) 0.35678(11) 0.66414(11) 0.0397(5) Uani 1 1 d . . .
O6 O 0.06805(13) 0.37568(12) 0.62627(12) 0.0483(5) Uani 1 1 d . . .
O7 O -0.18224(13) 0.77673(15) 0.66504(12) 0.0579(6) Uani 1 1 d . . .
O8 O -0.05047(11) 0.75629(11) 0.70197(10) 0.0384(5) Uani 1 1 d . . .
O9 O -0.11520(12) 0.73849(12) 0.80187(11) 0.0432(5) Uani 1 1 d . . .
O10 O 0.60795(12) 0.34249(11) 0.67695(11) 0.0405(5) Uani 1 1 d . . .
O11 O 0.6597(2) 0.8376(2) 0.56784(19) 0.1160(12) Uani 1 1 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'
O O 0.0106 0.0060 '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'
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
O2 C1 O1 124.9(2) . .
O2 C1 C7 118.4(2) . .
O1 C1 C7 116.7(2) . .
N7 C2 N8 111.9(3) . .
N7 C2 H2 124.1 . .
N8 C2 H2 124.1 . .
N10 C3 N9 111.7(3) . .
N10 C3 H3 124.2 . .
N9 C3 H3 124.2 . .
C25 C4 C6 118.2(3) . .
C25 C4 C8 118.9(3) . .
C6 C4 C8 122.8(2) . .
C9 C5 C8 121.3(3) . .
C9 C5 H5 119.3 . .
C8 C5 H5 119.3 . .
C26 C6 C4 119.5(3) . .
C26 C6 C45 117.4(3) . .
C4 C6 C45 123.0(2) . .
C9 C7 C10 118.3(2) . .
C9 C7 C1 121.5(2) . .
C10 C7 C1 120.2(2) . .
C16 C8 C5 118.1(2) . .
C16 C8 C4 121.0(2) . .
C5 C8 C4 120.8(3) . .
C5 C9 C7 120.7(2) . .
C5 C9 H9 119.6 . .
C7 C9 H9 119.6 . .
C7 C10 C16 121.0(3) . .
C7 C10 H10 119.5 . .
C16 C10 H10 119.5 . .
C20 C11 N5 106.0(3) . .
C20 C11 H11 127.0 . .
N5 C11 H11 127.0 . .
O7 C12 O8 125.4(3) . .
O7 C12 C22 117.7(3) . .
O8 C12 C22 116.8(3) . .
C18 C13 N9 106.1(3) . .
C18 C13 H13 126.9 . .
N9 C13 H13 126.9 . .
N9 C14 C29 111.9(2) . .
N9 C14 H14A 109.2 . .
C29 C14 H14A 109.2 . .
N9 C14 H14B 109.2 . .
C29 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
C29 C15 C19 114.3(3) . .
C29 C15 H15A 108.7 . .
C19 C15 H15A 108.7 . .
C29 C15 H15B 108.7 . .
C19 C15 H15B 108.7 . .
H15A C15 H15B 107.6 . .
C8 C16 C10 120.5(3) . .
C8 C16 H16 119.7 . .
C10 C16 H16 119.7 . .
C30 C17 N7 109.6(3) . .
C30 C17 H17 125.2 . .
N7 C17 H17 125.2 . .
C13 C18 N10 110.5(3) . .
C13 C18 H18 124.7 . .
N10 C18 H18 124.7 . .
N8 C19 C15 112.6(3) . .
N8 C19 H19A 109.1 . .
C15 C19 H19A 109.1 . .
N8 C19 H19B 109.1 . .
C15 C19 H19B 109.1 . .
H19A C19 H19B 107.8 . .
C11 C20 N4 110.1(3) . .
C11 C20 H20 125.0 . .
N4 C20 H20 125.0 . .
N4 C21 N5 111.5(3) . .
N4 C21 H21 124.3 . .
N5 C21 H21 124.3 . .
C32 C22 C47 119.1(3) . .
C32 C22 C12 116.9(3) . .
C47 C22 C12 123.8(2) . .
C27 C23 C26 119.9(3) . .
C27 C23 H23 120.0 . .
C26 C23 H23 120.0 . .
N11 C24 N3 112.1(3) . .
N11 C24 H24 124.0 . .
N3 C24 H24 124.0 . .
C27 C25 C4 121.2(3) . .
C27 C25 H25 119.4 . .
C4 C25 H25 119.4 . .
C23 C26 C6 121.0(3) . .
C23 C26 H26 119.5 . .
C6 C26 H26 119.5 . .
C23 C27 C25 120.0(3) . .
C23 C27 H27 120.0 . .
C25 C27 H27 120.0 . .
C34 C28 N11 110.2(3) . .
C34 C28 H28 124.9 . .
N11 C28 H28 124.9 . .
C15 C29 C14 113.7(3) . .
C15 C29 H29A 108.8 . .
C14 C29 H29A 108.8 . .
C15 C29 H29B 108.8 . .
C14 C29 H29B 108.8 . .
H29A C29 H29B 107.7 . .
C17 C30 N8 106.4(3) . .
C17 C30 H30 126.8 . .
N8 C30 H30 126.8 . .
N12 C31 N6 112.6(3) . .
N12 C31 H31 123.7 . .
N6 C31 H31 123.7 . .
C38 C32 C22 121.6(3) . .
C38 C32 H32 119.2 . .
C22 C32 H32 119.2 . .
C42 C33 N1 109.0(4) . .
C42 C33 H33 125.5 . .
N1 C33 H33 125.5 . .
C28 C34 N3 106.3(3) . .
C28 C34 H34 126.9 . .
N3 C34 H34 126.9 . .
C36 C35 C41 114.7(3) . .
C36 C35 H35A 108.6 . .
C41 C35 H35A 108.6 . .
C36 C35 H35B 108.6 . .
C41 C35 H35B 108.6 . .
H35A C35 H35B 107.6 . .
N5 C36 C35 113.5(3) . .
N5 C36 H36A 108.9 . .
C35 C36 H36A 108.9 . .
N5 C36 H36B 108.9 . .
C35 C36 H36B 108.9 . .
H36A C36 H36B 107.7 . .
C53 C37 C38 119.9(3) . .
C53 C37 H37 120.1 . .
C38 C37 H37 120.1 . .
C37 C38 C32 119.4(3) . .
C37 C38 H38 120.3 . .
C32 C38 H38 120.3 . .
N1 C39 N2 114.2(4) . .
N1 C39 H39 122.9 . .
N2 C39 H39 122.9 . .
C43 C40 N6 106.0(3) . .
C43 C40 H40 127.0 . .
N6 C40 H40 127.0 . .
C54 C41 C35 111.6(3) . .
C54 C41 H41A 109.3 . .
C35 C41 H41A 109.3 . .
C54 C41 H41B 109.3 . .
C35 C41 H41B 109.3 . .
H41A C41 H41B 108.0 . .
C33 C42 N2 106.8(4) . .
C33 C42 H42 126.6 . .
N2 C42 H42 126.6 . .
C40 C43 N12 110.9(3) . .
C40 C43 H43 124.6 . .
N12 C43 H43 124.6 . .
C52 C44 C48 117.4(3) . .
C52 C44 C47 121.2(3) . .
C48 C44 C47 121.3(3) . .
O3 C45 O4 126.1(3) . .
O3 C45 C6 118.5(3) . .
O4 C45 C6 115.3(2) . .
C51 C46 C50 118.3(3) . .
C51 C46 C49 121.9(2) . .
C50 C46 C49 119.8(3) . .
C22 C47 C53 118.3(3) . .
C22 C47 C44 123.7(3) . .
C53 C47 C44 118.0(3) . .
C51 C48 C44 120.9(3) . .
C51 C48 H48 119.5 . .
C44 C48 H48 119.5 . .
O6 C49 O5 125.8(3) . .
O6 C49 C46 117.3(2) . .
O5 C49 C46 116.9(3) . .
C52 C50 C46 120.6(3) . .
C52 C50 H50 119.7 . .
C46 C50 H50 119.7 . .
C48 C51 C46 121.3(3) . .
C48 C51 H51 119.4 . .
C46 C51 H51 119.4 . .
C50 C52 C44 121.4(3) . .
C50 C52 H52 119.3 . .
C44 C52 H52 119.3 . .
C37 C53 C47 121.6(3) . .
C37 C53 H53 119.2 . .
C47 C53 H53 119.2 . .
N6 C54 C41 111.7(3) . .
N6 C54 H54A 109.3 . .
C41 C54 H54A 109.3 . .
N6 C54 H54B 109.3 . .
C41 C54 H54B 109.3 . .
H54A C54 H54B 107.9 . .
C58B C55 N3 112.5(4) . .
C58B C55 C58A 31.7(3) . .
N3 C55 C58A 111.4(3) . .
C58B C55 H55A 79.9 . .
N3 C55 H55A 109.3 . .
C58A C55 H55A 109.3 . .
C58B C55 H55B 131.6 . .
N3 C55 H55B 109.3 . .
C58A C55 H55B 109.3 . .
H55A C55 H55B 108.0 . .
C57A C56A C58A 116.6(6) . .
C57A C56A H56A 108.1 . .
C58A C56A H56A 108.1 . .
C57A C56A H56B 108.1 . .
C58A C56A H56B 108.1 . .
H56A C56A H56B 107.3 . .
C56A C57A N2 107.1(5) . .
C56A C57A H57A 110.3 . .
N2 C57A H57A 110.3 . .
C56A C57A H57B 110.3 . .
N2 C57A H57B 110.3 . .
H57A C57A H57B 108.5 . .
C56A C58A C55 116.0(6) . .
C56A C58A H58A 108.3 . .
C55 C58A H58A 108.3 . .
C56A C58A H58B 108.3 . .
C55 C58A H58B 108.3 . .
H58A C58A H58B 107.4 . .
C58B C56B C57B 108.6(6) . .
C58B C56B H56C 110.0 . .
C57B C56B H56C 110.0 . .
C58B C56B H56D 110.0 . .
C57B C56B H56D 110.0 . .
H56C C56B H56D 108.4 . .
N2 C57B C56B 110.9(6) . .
N2 C57B H57C 109.5 . .
C56B C57B H57C 109.5 . .
N2 C57B H57D 109.5 . .
C56B C57B H57D 109.5 . .
H57C C57B H57D 108.1 . .
C55 C58B C56B 112.0(7) . .
C55 C58B H58C 109.2 . .
C56B C58B H58C 109.2 . .
C55 C58B H58D 109.2 . .
C56B C58B H58D 109.2 . .
H58C C58B H58D 107.9 . .
N7 Co1 N12 94.14(10) . 3_666
N7 Co1 O4 87.26(9) . 2_656
N12 Co1 O4 178.53(9) 3_666 2_656
N7 Co1 N4 90.19(9) . .
N12 Co1 N4 91.68(9) 3_666 .
O4 Co1 N4 87.87(8) 2_656 .
N7 Co1 O10 176.38(9) . .
N12 Co1 O10 89.30(9) 3_666 .
O4 Co1 O10 89.29(8) 2_656 .
N4 Co1 O10 88.57(8) . .
N7 Co1 O2 90.38(8) . .
N12 Co1 O2 89.81(9) 3_666 .
O4 Co1 O2 90.62(7) 2_656 .
N4 Co1 O2 178.37(9) . .
O10 Co1 O2 90.78(7) . .
N10 Co2 N11 89.42(9) . 3_567
N10 Co2 O5 92.65(8) . 2_556
N11 Co2 O5 176.22(9) 3_567 2_556
N10 Co2 N1 94.11(10) . .
N11 Co2 N1 90.32(10) 3_567 .
O5 Co2 N1 86.38(9) 2_556 .
N10 Co2 O9 173.37(9) . .
N11 Co2 O9 87.66(9) 3_567 .
O5 Co2 O9 90.60(7) 2_556 .
N1 Co2 O9 91.87(9) . .
N10 Co2 O8 84.78(9) . .
N11 Co2 O8 91.16(9) 3_567 .
O5 Co2 O8 92.18(8) 2_556 .
N1 Co2 O8 178.14(9) . .
O9 Co2 O8 89.32(8) . .
C39 N1 C33 104.1(3) . .
C39 N1 Co2 128.0(2) . .
C33 N1 Co2 127.7(2) . .
C39 N2 C42 105.9(4) . .
C39 N2 C57B 145.7(5) . .
C42 N2 C57B 103.8(5) . .
C39 N2 C57A 113.8(5) . .
C42 N2 C57A 139.0(4) . .
C57B N2 C57A 44.0(4) . .
C24 N3 C34 106.7(3) . .
C24 N3 C55 126.2(3) . .
C34 N3 C55 126.8(3) . .
C21 N4 C20 105.2(2) . .
C21 N4 Co1 124.40(19) . .
C20 N4 Co1 130.4(2) . .
C21 N5 C11 107.3(2) . .
C21 N5 C36 125.3(3) . .
C11 N5 C36 127.2(3) . .
C31 N6 C40 106.4(3) . .
C31 N6 C54 125.9(3) . .
C40 N6 C54 127.7(3) . .
C2 N7 C17 105.4(2) . .
C2 N7 Co1 123.15(19) . .
C17 N7 Co1 131.2(2) . .
C2 N8 C30 106.8(2) . .
C2 N8 C19 125.8(3) . .
C30 N8 C19 127.3(3) . .
C3 N9 C13 106.9(2) . .
C3 N9 C14 126.3(3) . .
C13 N9 C14 126.8(2) . .
C3 N10 C18 104.7(2) . .
C3 N10 Co2 123.91(19) . .
C18 N10 Co2 131.0(2) . .
C24 N11 C28 104.7(2) . .
C24 N11 Co2 125.59(19) . 3_567
C28 N11 Co2 129.2(2) . 3_567
C31 N12 C43 104.1(3) . .
C31 N12 Co1 125.7(2) . 3_666
C43 N12 Co1 129.1(2) . 3_666
C1 O2 Co1 128.66(18) . .
C45 O4 Co1 131.66(18) . 2_646
C49 O5 Co2 125.44(18) . 2_546
C12 O8 Co2 133.2(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.255(3) .
C1 O1 1.258(3) .
C1 C7 1.512(4) .
C2 N7 1.313(3) .
C2 N8 1.342(3) .
C2 H2 0.9300 .
C3 N10 1.324(3) .
C3 N9 1.339(3) .
C3 H3 0.9300 .
C4 C25 1.394(4) .
C4 C6 1.406(4) .
C4 C8 1.491(4) .
C5 C9 1.380(4) .
C5 C8 1.393(4) .
C5 H5 0.9300 .
C6 C26 1.388(4) .
C6 C45 1.507(4) .
C7 C9 1.389(4) .
C7 C10 1.390(4) .
C8 C16 1.391(4) .
C9 H9 0.9300 .
C10 C16 1.392(4) .
C10 H10 0.9300 .
C11 C20 1.353(4) .
C11 N5 1.366(4) .
C11 H11 0.9300 .
C12 O7 1.252(3) .
C12 O8 1.255(3) .
C12 C22 1.513(4) .
C13 C18 1.346(4) .
C13 N9 1.366(4) .
C13 H13 0.9300 .
C14 N9 1.465(3) .
C14 C29 1.521(4) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C29 1.497(4) .
C15 C19 1.515(4) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16 0.9300 .
C17 C30 1.354(4) .
C17 N7 1.375(4) .
C17 H17 0.9300 .
C18 N10 1.364(4) .
C18 H18 0.9300 .
C19 N8 1.466(3) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 N4 1.379(3) .
C20 H20 0.9300 .
C21 N4 1.315(4) .
C21 N5 1.350(3) .
C21 H21 0.9300 .
C22 C32 1.396(4) .
C22 C47 1.398(4) .
C23 C27 1.365(5) .
C23 C26 1.382(4) .
C23 H23 0.9300 .
C24 N11 1.311(4) .
C24 N3 1.343(3) .
C24 H24 0.9300 .
C25 C27 1.388(4) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C34 1.343(4) .
C28 N11 1.377(4) .
C28 H28 0.9300 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 N8 1.369(4) .
C30 H30 0.9300 .
C31 N12 1.314(4) .
C31 N6 1.329(4) .
C31 H31 0.9300 .
C32 C38 1.380(5) .
C32 H32 0.9300 .
C33 C42 1.344(6) .
C33 N1 1.375(4) .
C33 H33 0.9300 .
C34 N3 1.364(4) .
C34 H34 0.9300 .
C35 C36 1.489(5) .
C35 C41 1.543(5) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 N5 1.463(4) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C53 1.378(4) .
C37 C38 1.380(5) .
C37 H37 0.9300 .
C38 H38 0.9300 .
C39 N1 1.297(4) .
C39 N2 1.305(5) .
C39 H39 0.9300 .
C40 C43 1.335(5) .
C40 N6 1.366(4) .
C40 H40 0.9300 .
C41 C54 1.489(5) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 N2 1.361(7) .
C42 H42 0.9300 .
C43 N12 1.360(4) .
C43 H43 0.9300 .
C44 C52 1.395(4) .
C44 C48 1.405(4) .
C44 C47 1.478(4) .
C45 O3 1.249(3) .
C45 O4 1.262(3) .
C46 C51 1.390(4) .
C46 C50 1.390(4) .
C46 C49 1.512(4) .
C47 C53 1.405(4) .
C48 C51 1.373(4) .
C48 H48 0.9300 .
C49 O6 1.248(3) .
C49 O5 1.268(3) .
C50 C52 1.381(4) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C52 H52 0.9300 .
C53 H53 0.9300 .
C54 N6 1.468(4) .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C55 C58B 1.362(8) .
C55 N3 1.470(4) .
C55 C58A 1.604(8) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56A C57A 1.504(9) .
C56A C58A 1.516(10) .
C56A H56A 0.9700 .
C56A H56B 0.9700 .
C57A N2 1.648(7) .
C57A H57A 0.9700 .
C57A H57B 0.9700 .
C58A H58A 0.9700 .
C58A H58B 0.9700 .
C56B C58B 1.516(12) .
C56B C57B 1.563(11) .
C56B H56C 0.9700 .
C56B H56D 0.9700 .
C57B N2 1.422(8) .
C57B H57C 0.9700 .
C57B H57D 0.9700 .
C58B H58C 0.9700 .
C58B H58D 0.9700 .
Co1 N7 2.062(2) .
Co1 N12 2.080(3) 3_666
Co1 O4 2.103(2) 2_656
Co1 N4 2.104(2) .
Co1 O10 2.131(2) .
Co1 O2 2.1421(18) .
Co2 N10 2.067(2) .
Co2 N11 2.075(2) 3_567
Co2 O5 2.0919(18) 2_556
Co2 N1 2.112(3) .
Co2 O9 2.117(2) .
Co2 O8 2.125(2) .
N11 Co2 2.075(2) 3_567
N12 Co1 2.080(3) 3_666
O4 Co1 2.103(2) 2_646
O5 Co2 2.0919(18) 2_546
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_4
C25 C4 C6 C26 -3.9(4) . .
C8 C4 C6 C26 171.5(3) . .
C25 C4 C6 C45 171.1(3) . .
C8 C4 C6 C45 -13.4(4) . .
O2 C1 C7 C9 1.1(4) . .
O1 C1 C7 C9 -178.3(3) . .
O2 C1 C7 C10 -177.0(3) . .
O1 C1 C7 C10 3.6(4) . .
C9 C5 C8 C16 -0.9(4) . .
C9 C5 C8 C4 -176.7(3) . .
C25 C4 C8 C16 -48.0(4) . .
C6 C4 C8 C16 136.6(3) . .
C25 C4 C8 C5 127.7(3) . .
C6 C4 C8 C5 -47.7(4) . .
C8 C5 C9 C7 -1.3(4) . .
C10 C7 C9 C5 2.5(4) . .
C1 C7 C9 C5 -175.7(3) . .
C9 C7 C10 C16 -1.4(4) . .
C1 C7 C10 C16 176.8(3) . .
C5 C8 C16 C10 2.0(4) . .
C4 C8 C16 C10 177.7(3) . .
C7 C10 C16 C8 -0.8(4) . .
N9 C13 C18 N10 -0.5(4) . .
C29 C15 C19 N8 -58.8(4) . .
N5 C11 C20 N4 -0.8(3) . .
O7 C12 C22 C32 56.3(4) . .
O8 C12 C22 C32 -120.3(3) . .
O7 C12 C22 C47 -128.0(3) . .
O8 C12 C22 C47 55.3(4) . .
C6 C4 C25 C27 1.0(4) . .
C8 C4 C25 C27 -174.6(3) . .
C27 C23 C26 C6 -1.0(5) . .
C4 C6 C26 C23 4.0(4) . .
C45 C6 C26 C23 -171.4(3) . .
C26 C23 C27 C25 -2.0(5) . .
C4 C25 C27 C23 2.0(5) . .
C19 C15 C29 C14 178.8(3) . .
N9 C14 C29 C15 60.3(4) . .
N7 C17 C30 N8 0.0(4) . .
C47 C22 C32 C38 -1.5(5) . .
C12 C22 C32 C38 174.4(3) . .
N11 C28 C34 N3 -0.7(4) . .
C41 C35 C36 N5 -53.9(4) . .
C53 C37 C38 C32 2.1(6) . .
C22 C32 C38 C37 -0.7(5) . .
C36 C35 C41 C54 89.9(4) . .
N1 C33 C42 N2 -1.0(5) . .
N6 C40 C43 N12 1.0(5) . .
C26 C6 C45 O3 -63.0(4) . .
C4 C6 C45 O3 121.8(3) . .
C26 C6 C45 O4 113.6(3) . .
C4 C6 C45 O4 -61.6(4) . .
C32 C22 C47 C53 2.2(4) . .
C12 C22 C47 C53 -173.4(3) . .
C32 C22 C47 C44 -175.2(3) . .
C12 C22 C47 C44 9.3(4) . .
C52 C44 C47 C22 -140.8(3) . .
C48 C44 C47 C22 42.7(4) . .
C52 C44 C47 C53 41.9(4) . .
C48 C44 C47 C53 -134.7(3) . .
C52 C44 C48 C51 2.7(4) . .
C47 C44 C48 C51 179.3(3) . .
C51 C46 C49 O6 177.0(3) . .
C50 C46 C49 O6 -3.9(4) . .
C51 C46 C49 O5 -3.5(4) . .
C50 C46 C49 O5 175.6(3) . .
C51 C46 C50 C52 2.3(4) . .
C49 C46 C50 C52 -176.8(3) . .
C44 C48 C51 C46 0.1(5) . .
C50 C46 C51 C48 -2.6(4) . .
C49 C46 C51 C48 176.5(3) . .
C46 C50 C52 C44 0.6(5) . .
C48 C44 C52 C50 -3.0(4) . .
C47 C44 C52 C50 -179.7(3) . .
C38 C37 C53 C47 -1.4(5) . .
C22 C47 C53 C37 -0.8(5) . .
C44 C47 C53 C37 176.7(3) . .
C35 C41 C54 N6 168.0(3) . .
C58A C56A C57A N2 83.0(7) . .
C57A C56A C58A C55 123.5(7) . .
C58B C55 C58A C56A 43.8(8) . .
N3 C55 C58A C56A -54.7(7) . .
C58B C56B C57B N2 -165.2(6) . .
N3 C55 C58B C56B 68.8(7) . .
C58A C55 C58B C56B -25.9(7) . .
C57B C56B C58B C55 -164.8(6) . .
N2 C39 N1 C33 0.5(4) . .
N2 C39 N1 Co2 176.2(3) . .
C42 C33 N1 C39 0.3(4) . .
C42 C33 N1 Co2 -175.3(3) . .
N10 Co2 N1 C39 -107.0(3) . .
N11 Co2 N1 C39 -17.6(3) 3_567 .
O5 Co2 N1 C39 160.6(3) 2_556 .
O9 Co2 N1 C39 70.1(3) . .
O8 Co2 N1 C39 -160(3) . .
N10 Co2 N1 C33 67.6(3) . .
N11 Co2 N1 C33 157.1(3) 3_567 .
O5 Co2 N1 C33 -24.8(3) 2_556 .
O9 Co2 N1 C33 -115.2(3) . .
O8 Co2 N1 C33 14(3) . .
N1 C39 N2 C42 -1.2(5) . .
N1 C39 N2 C57B -150.3(8) . .
N1 C39 N2 C57A 168.2(4) . .
C33 C42 N2 C39 1.3(5) . .
C33 C42 N2 C57B 164.0(4) . .
C33 C42 N2 C57A -163.9(5) . .
C56B C57B N2 C39 -129.4(8) . .
C56B C57B N2 C42 81.1(7) . .
C56B C57B N2 C57A -68.7(7) . .
C56A C57A N2 C39 162.8(5) . .
C56A C57A N2 C42 -32.8(9) . .
C56A C57A N2 C57B 15.3(6) . .
N11 C24 N3 C34 -0.7(4) . .
N11 C24 N3 C55 -175.6(3) . .
C28 C34 N3 C24 0.8(4) . .
C28 C34 N3 C55 175.7(3) . .
C58B C55 N3 C24 66.9(6) . .
C58A C55 N3 C24 101.1(4) . .
C58B C55 N3 C34 -106.9(5) . .
C58A C55 N3 C34 -72.8(5) . .
N5 C21 N4 C20 -0.3(3) . .
N5 C21 N4 Co1 177.24(18) . .
C11 C20 N4 C21 0.7(3) . .
C11 C20 N4 Co1 -176.6(2) . .
N7 Co1 N4 C21 159.9(2) . .
N12 Co1 N4 C21 -105.9(2) 3_666 .
O4 Co1 N4 C21 72.7(2) 2_656 .
O10 Co1 N4 C21 -16.7(2) . .
O2 Co1 N4 C21 50(3) . .
N7 Co1 N4 C20 -23.2(3) . .
N12 Co1 N4 C20 70.9(3) 3_666 .
O4 Co1 N4 C20 -110.5(2) 2_656 .
O10 Co1 N4 C20 160.2(2) . .
O2 Co1 N4 C20 -133(3) . .
N4 C21 N5 C11 -0.2(3) . .
N4 C21 N5 C36 -175.4(3) . .
C20 C11 N5 C21 0.6(3) . .
C20 C11 N5 C36 175.7(3) . .
C35 C36 N5 C21 100.8(4) . .
C35 C36 N5 C11 -73.4(4) . .
N12 C31 N6 C40 -1.1(5) . .
N12 C31 N6 C54 -179.2(3) . .
C43 C40 N6 C31 0.0(5) . .
C43 C40 N6 C54 178.1(4) . .
C41 C54 N6 C31 -112.5(4) . .
C41 C54 N6 C40 69.7(5) . .
N8 C2 N7 C17 -0.7(3) . .
N8 C2 N7 Co1 173.83(17) . .
C30 C17 N7 C2 0.4(3) . .
C30 C17 N7 Co1 -173.5(2) . .
N12 Co1 N7 C2 -146.3(2) 3_666 .
O4 Co1 N7 C2 33.3(2) 2_656 .
N4 Co1 N7 C2 -54.6(2) . .
O10 Co1 N7 C2 15.4(14) . .
O2 Co1 N7 C2 123.9(2) . .
N12 Co1 N7 C17 26.7(3) 3_666 .
O4 Co1 N7 C17 -153.7(3) 2_656 .
N4 Co1 N7 C17 118.4(3) . .
O10 Co1 N7 C17 -171.7(11) . .
O2 Co1 N7 C17 -63.1(3) . .
N7 C2 N8 C30 0.7(3) . .
N7 C2 N8 C19 178.9(2) . .
C17 C30 N8 C2 -0.4(3) . .
C17 C30 N8 C19 -178.6(3) . .
C15 C19 N8 C2 120.9(3) . .
C15 C19 N8 C30 -61.3(4) . .
N10 C3 N9 C13 -0.4(3) . .
N10 C3 N9 C14 -179.9(2) . .
C18 C13 N9 C3 0.6(3) . .
C18 C13 N9 C14 -180.0(3) . .
C29 C14 N9 C3 -123.2(3) . .
C29 C14 N9 C13 57.4(4) . .
N9 C3 N10 C18 0.1(3) . .
N9 C3 N10 Co2 -173.61(17) . .
C13 C18 N10 C3 0.3(3) . .
C13 C18 N10 Co2 173.4(2) . .
N11 Co2 N10 C3 63.5(2) 3_567 .
O5 Co2 N10 C3 -119.7(2) 2_556 .
N1 Co2 N10 C3 153.8(2) . .
O9 Co2 N10 C3 -0.4(8) . .
O8 Co2 N10 C3 -27.7(2) . .
N11 Co2 N10 C18 -108.4(3) 3_567 .
O5 Co2 N10 C18 68.4(3) 2_556 .
N1 Co2 N10 C18 -18.2(3) . .
O9 Co2 N10 C18 -172.4(6) . .
O8 Co2 N10 C18 160.3(3) . .
N3 C24 N11 C28 0.3(3) . .
N3 C24 N11 Co2 172.7(2) . 3_567
C34 C28 N11 C24 0.3(4) . .
C34 C28 N11 Co2 -171.8(2) . 3_567
N6 C31 N12 C43 1.6(4) . .
N6 C31 N12 Co1 171.1(2) . 3_666
C40 C43 N12 C31 -1.6(5) . .
C40 C43 N12 Co1 -170.6(3) . 3_666
O1 C1 O2 Co1 -4.3(4) . .
C7 C1 O2 Co1 176.35(16) . .
N7 Co1 O2 C1 177.1(2) . .
N12 Co1 O2 C1 83.0(2) 3_666 .
O4 Co1 O2 C1 -95.6(2) 2_656 .
N4 Co1 O2 C1 -73(3) . .
O10 Co1 O2 C1 -6.3(2) . .
O3 C45 O4 Co1 -2.9(4) . 2_646
C6 C45 O4 Co1 -179.18(16) . 2_646
O6 C49 O5 Co2 -10.5(4) . 2_546
C46 C49 O5 Co2 170.06(18) . 2_546
O7 C12 O8 Co2 1.4(4) . .
C22 C12 O8 Co2 177.83(17) . .
N10 Co2 O8 C12 178.1(2) . .
N11 Co2 O8 C12 88.8(2) 3_567 .
O5 Co2 O8 C12 -89.4(2) 2_556 .
N1 Co2 O8 C12 -129(3) . .
O9 Co2 O8 C12 1.1(2) . .
