#------------------------------------------------------------------------------
#$Date: 2021-12-03 11:45:35 +0200 (Fri, 03 Dec 2021) $
#$Revision: 271002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/54/1565494.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_1565494
loop_
_publ_author_name
'Hu, Dong-Cheng'
'Wu, Ya-Jun'
'Sun, Jing'
'Shang, Ke-Xia'
'Yao, Xiao-Qiang'
'Yang, Yun-Xia'
'Liu, Jia-Cheng'
_publ_section_title
;
 Five coordination polymers based on two asymmetric Semi-rigid carboxylate
 organic ligands and N-donor 4, 4′-di (1H-imidazol-1-yl)-1,
 1′-biphenyl ligand: Solvent-induced synthesis, crystal structures,
 magnetic and dye absorption properties
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119356
_journal_paper_doi               10.1016/j.ica.2019.119356
_journal_volume                  502
_journal_year                    2020
_chemical_formula_moiety         'C86 H64 Co3 N12 O18'
_chemical_formula_sum            'C86 H64 Co3 N12 O18'
_chemical_formula_weight         1730.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 118.732(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.992(6)
_cell_length_b                   10.2729(17)
_cell_length_c                   23.541(4)
_cell_measurement_reflns_used    3478
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.60
_cell_measurement_theta_min      2.44
_cell_volume                     7632(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0652
_diffrn_reflns_av_unetI/netI     0.0752
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            20509
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         1.290
_exptl_absorpt_coefficient_mu    0.727
_exptl_absorpt_correction_T_max  0.8564
_exptl_absorpt_correction_T_min  0.8223
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_description       block
_exptl_crystal_F_000             3556
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.220
_refine_diff_density_max         0.849
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         6645
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0850
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0710P)²+26.2993P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1504
_refine_ls_wR_factor_ref         0.1631
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4809
_reflns_number_total             6645
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2020-502-119356.cif
_cod_data_source_block           3
_cod_original_cell_volume        7633(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1565494
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.822
_shelx_estimated_absorpt_t_max   0.856
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.03359(15) 0.7131(5) 0.2110(2) 0.0262(11) Uani 1 1 d . . . . .
C2 C 0.04510(15) 0.8257(5) 0.1827(2) 0.0268(11) Uani 1 1 d . . . . .
C3 C 0.06235(15) 0.9369(5) 0.2192(2) 0.0262(11) Uani 1 1 d . . . . .
H3 H 0.0658 0.9421 0.2609 0.031 Uiso 1 1 calc R U . . .
C4 C 0.07462(15) 1.0412(5) 0.1940(2) 0.0275(11) Uani 1 1 d . . . . .
H4 H 0.0864 1.1155 0.2188 0.033 Uiso 1 1 calc R U . . .
C5 C 0.06892(14) 1.0325(5) 0.1317(2) 0.0234(10) Uani 1 1 d . . . . .
C6 C 0.05021(14) 0.9222(5) 0.0936(2) 0.0239(10) Uani 1 1 d . . . . .
C7 C 0.03823(14) 0.8204(5) 0.1193(2) 0.0239(10) Uani 1 1 d . . . . .
H7 H 0.0254 0.7474 0.0940 0.029 Uiso 1 1 calc R U . . .
C8 C 0.02251(18) 0.8217(5) -0.0093(2) 0.0377(13) Uani 1 1 d . . . . .
H8A H 0.0209 0.8342 -0.0508 0.057 Uiso 1 1 calc R U . . .
H8B H 0.0368 0.7412 0.0092 0.057 Uiso 1 1 calc R U . . .
H8C H -0.0056 0.8187 -0.0144 0.057 Uiso 1 1 calc R U . . .
C9 C 0.10268(15) 1.2379(5) 0.1374(2) 0.0240(10) Uani 1 1 d . . . . .
C10 C 0.07977(17) 1.3496(5) 0.1300(3) 0.0325(12) Uani 1 1 d . . . . .
H10 H 0.0504 1.3485 0.1057 0.039 Uiso 1 1 calc R U . . .
C11 C 0.14635(14) 1.2344(4) 0.1728(2) 0.0197(10) Uani 1 1 d . . . . .
C12 C 0.16987(14) 1.1096(4) 0.1779(2) 0.0211(10) Uani 1 1 d . . . . .
C13 C 0.39938(16) 0.9629(5) 0.3412(3) 0.0326(12) Uani 1 1 d . . . . .
H13 H 0.4147 1.0383 0.3451 0.039 Uiso 1 1 calc R U . . .
C14 C 0.35564(14) 0.9650(4) 0.3066(2) 0.0229(10) Uani 1 1 d . . . . .
H14 H 0.3416 1.0424 0.2880 0.027 Uiso 1 1 calc R U . . .
C15 C 0.33249(14) 0.8522(4) 0.2994(2) 0.0193(10) Uani 1 1 d . . . . .
C16 C 0.28552(14) 0.8541(4) 0.2638(2) 0.0187(10) Uani 1 1 d . . . . .
C17 C 0.16318(17) 0.7908(5) 0.2916(3) 0.0343(13) Uani 1 1 d . . . . .
H17 H 0.1415 0.8510 0.2706 0.041 Uiso 1 1 calc R U . . .
C18 C 0.16526(17) 0.7044(5) 0.3355(3) 0.0343(13) Uani 1 1 d . . . . .
H18 H 0.1456 0.6930 0.3501 0.041 Uiso 1 1 calc R U . . .
C19 C 0.22101(15) 0.6834(4) 0.3212(2) 0.0205(10) Uani 1 1 d . . . . .
H19 H 0.2466 0.6543 0.3251 0.025 Uiso 1 1 calc R U . . .
C20 C 0.21700(16) 0.5267(5) 0.3986(2) 0.0266(11) Uani 1 1 d . . . . .
C21 C 0.24899(18) 0.4496(5) 0.4025(3) 0.0363(13) Uani 1 1 d . . . . .
H21 H 0.2623 0.4694 0.3781 0.044 Uiso 1 1 calc R U . . .
C22 C 0.26151(18) 0.3423(5) 0.4426(3) 0.0362(13) Uani 1 1 d . . . . .
H22 H 0.2833 0.2904 0.4445 0.043 Uiso 1 1 calc R U . . .
C23 C 0.24334(17) 0.3096(5) 0.4793(2) 0.0299(12) Uani 1 1 d . . . . .
C24 C 0.2049(4) 0.3712(10) 0.4643(5) 0.028(3) Uani 0.566(17) 1 d . U P A 1
H24 H 0.1879 0.3385 0.4808 0.033 Uiso 0.566(17) 1 calc R U P A 1
C25 C 0.1922(4) 0.4816(11) 0.4248(6) 0.029(3) Uani 0.566(17) 1 d . U P A 1
H25 H 0.1672 0.5245 0.4161 0.035 Uiso 0.566(17) 1 calc R U P A 1
C26 C 0.08570(18) 0.4143(5) 0.2945(3) 0.0391(14) Uani 1 1 d . . . . .
H26 H 0.0949 0.4809 0.2776 0.047 Uiso 1 1 calc R U . . .
C27 C 0.10825(19) 0.3052(5) 0.3233(3) 0.0387(13) Uani 1 1 d . . . . .
H27 H 0.1350 0.2830 0.3296 0.046 Uiso 1 1 calc R U . . .
C28 C 0.04725(15) 0.3020(5) 0.3221(2) 0.0279(11) Uani 1 1 d . . . . .
H28 H 0.0247 0.2746 0.3281 0.033 Uiso 1 1 calc R U . . .
C29 C 0.09383(16) 0.1104(4) 0.3735(2) 0.0255(11) Uani 1 1 d . . . . .
C30 C 0.13553(16) 0.0689(5) 0.4056(2) 0.0302(12) Uani 1 1 d . . . . .
H30 H 0.1569 0.1209 0.4063 0.036 Uiso 1 1 calc R U . . .
C31 C 0.14527(16) -0.0506(5) 0.4367(2) 0.0282(11) Uani 1 1 d . . . . .
H31 H 0.1734 -0.0775 0.4583 0.034 Uiso 1 1 calc R U . . .
C32 C 0.11421(17) -0.1313(5) 0.4364(2) 0.0282(11) Uani 1 1 d . . . . .
C33 C 0.07260(17) -0.0876(5) 0.4037(3) 0.0357(13) Uani 1 1 d . . . . .
H33 H 0.0512 -0.1399 0.4027 0.043 Uiso 1 1 calc R U . . .
C34 C 0.06222(17) 0.0319(5) 0.3727(3) 0.0343(12) Uani 1 1 d . . . . .
H34 H 0.0342 0.0595 0.3514 0.041 Uiso 1 1 calc R U . . .
C35 C 0.09694(17) -0.3644(5) 0.4398(3) 0.0410(14) Uani 1 1 d . . . . .
H35 H 0.0726 -0.3530 0.4002 0.049 Uiso 1 1 calc R U . . .
C36 C 0.16118(17) -0.2841(5) 0.5263(2) 0.0312(12) Uani 1 1 d . . . . .
H36 H 0.1806 -0.2171 0.5456 0.037 Uiso 1 1 calc R U . . .
C37 C 0.14208(16) 0.8373(5) 0.0733(2) 0.0281(11) Uani 1 1 d . . . . .
H37 H 0.1326 0.9230 0.0671 0.034 Uiso 1 1 calc R U . . .
C38 C 0.12636(16) 0.7427(5) 0.0284(2) 0.0292(12) Uani 1 1 d . . . . .
H38 H 0.1045 0.7509 -0.0139 0.035 Uiso 1 1 calc R U . . .
C39 C 0.17749(15) 0.6641(5) 0.1186(2) 0.0222(10) Uani 1 1 d . . . . .
H39 H 0.1969 0.6067 0.1489 0.027 Uiso 1 1 calc R U . . .
C40 C 0.14152(15) 0.5052(5) 0.0276(2) 0.0232(10) Uani 1 1 d . . . . .
C41 C 0.10530(17) 0.4845(5) -0.0304(3) 0.0423(15) Uani 1 1 d . . . . .
H41 H 0.0862 0.5524 -0.0496 0.051 Uiso 1 1 calc R U . . .
C42 C 0.16934(16) 0.4039(5) 0.0556(2) 0.0269(11) Uani 1 1 d . . . . .
H42 H 0.1939 0.4166 0.0948 0.032 Uiso 1 1 calc R U . . .
C43 C 0.12430(17) -0.2605(5) 0.4678(2) 0.0280(11) Uani 1 1 d . . . . .
C24' C 0.2251(5) 0.4173(13) 0.4924(7) 0.024(3) Uani 0.434(17) 1 d . U P A 2
H24' H 0.2217 0.4154 0.5291 0.029 Uiso 0.434(17) 1 calc R U P A 2
C25' C 0.2121(5) 0.5248(15) 0.4542(7) 0.032(4) Uani 0.434(17) 1 d . U P A 2
H25' H 0.2002 0.5952 0.4646 0.038 Uiso 0.434(17) 1 calc R U P A 2
Co1 Co 0.20665(2) 0.88261(6) 0.21603(3) 0.01712(18) Uani 1 1 d . . . . .
Co2 Co 0.0000 0.55018(9) 0.2500 0.0247(2) Uani 1 2 d S T P . .
N1 N 0.17435(12) 0.7880(4) 0.12985(17) 0.0221(9) Uani 1 1 d . . . . .
N2 N 0.14895(12) 0.6311(4) 0.05735(17) 0.0220(9) Uani 1 1 d . . . . .
N3 N 0.19789(12) 0.7771(4) 0.28213(17) 0.0218(9) Uani 1 1 d . . . . .
N4 N 0.20247(13) 0.6352(4) 0.35505(18) 0.0254(9) Uani 1 1 d . . . . .
N5 N 0.04783(13) 0.4126(4) 0.29385(19) 0.0280(10) Uani 1 1 d . . . . .
N6 N 0.08297(13) 0.2345(4) 0.34104(18) 0.0263(9) Uani 1 1 d . . . . .
O1 O 0.01076(11) 0.6210(3) 0.17453(16) 0.0316(8) Uani 1 1 d . . . . .
O2 O 0.04570(11) 0.7093(3) 0.27095(16) 0.0335(8) Uani 1 1 d . . . . .
O3 O 0.04518(11) 0.9260(3) 0.03215(16) 0.0307(8) Uani 1 1 d . . . . .
O4 O 0.08169(10) 1.1256(3) 0.10211(15) 0.0275(8) Uani 1 1 d . . . . .
O5 O 0.16777(10) 1.0236(3) 0.21541(14) 0.0237(7) Uani 1 1 d . . . . .
O6 O 0.18818(10) 1.0925(3) 0.14603(15) 0.0257(8) Uani 1 1 d . . . . .
O7 O 0.26679(10) 0.9588(3) 0.26462(15) 0.0249(7) Uani 1 1 d . . . . .
O8 O 0.26459(10) 0.7564(3) 0.23364(15) 0.0248(7) Uani 1 1 d . . . . .
O9 O 0.19340(16) 0.1420(5) 0.3385(2) 0.0600(13) Uani 1 1 d G . . . .
H9A H 0.2072 0.1940 0.3274 0.090 Uiso 1 1 d G U . . .
H9B H 0.2057 0.0683 0.3480 0.090 Uiso 1 1 d G U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 119.6(5) . .
O2 C1 C2 120.2(4) . .
O1 C1 C2 120.2(4) . .
O2 C1 Co2 62.2(3) . .
O1 C1 Co2 58.6(2) . .
C2 C1 Co2 167.9(3) . .
C3 C2 C7 119.6(5) . .
C3 C2 C1 120.0(4) . .
C7 C2 C1 120.3(4) . .
C2 C3 C4 120.6(4) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C5 C4 C3 119.0(4) . .
C5 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
C4 C5 O4 125.0(4) . .
C4 C5 C6 120.9(4) . .
O4 C5 C6 114.1(4) . .
O3 C6 C7 125.1(4) . .
O3 C6 C5 115.7(4) . .
C7 C6 C5 119.3(4) . .
C6 C7 C2 120.6(4) . .
C6 C7 H7 119.7 . .
C2 C7 H7 119.7 . .
O3 C8 H8A 109.5 . .
O3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
O3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 C11 122.5(4) . .
C10 C9 O4 119.3(4) . .
C11 C9 O4 117.8(4) . .
C13 C10 C9 119.5(5) 4 .
C13 C10 H10 120.2 4 .
C9 C10 H10 120.2 . .
C9 C11 C15 117.5(4) . 4
C9 C11 C12 120.1(4) . .
C15 C11 C12 122.3(4) 4 .
O6 C12 O5 123.5(4) . .
O6 C12 C11 121.3(4) . .
O5 C12 C11 115.1(4) . .
C10 C13 C14 120.1(5) 4_545 .
C10 C13 H13 120.0 4_545 .
C14 C13 H13 120.0 . .
C13 C14 C15 120.4(4) . .
C13 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
C14 C15 C11 120.0(4) . 4_545
C14 C15 C16 120.8(4) . .
C11 C15 C16 119.2(4) 4_545 .
O8 C16 O7 120.5(4) . .
O8 C16 C15 121.5(4) . .
O7 C16 C15 118.0(4) . .
O8 C16 Co1 66.3(2) . .
O7 C16 Co1 54.4(2) . .
C15 C16 Co1 171.2(3) . .
C18 C17 N3 109.8(5) . .
C18 C17 H17 125.1 . .
N3 C17 H17 125.1 . .
C17 C18 N4 106.4(4) . .
C17 C18 H18 126.8 . .
N4 C18 H18 126.8 . .
N3 C19 N4 110.7(4) . .
N3 C19 H19 124.6 . .
N4 C19 H19 124.6 . .
C21 C20 C25 118.7(6) . .
C21 C20 C25' 114.2(7) . .
C21 C20 N4 120.4(4) . .
C25 C20 N4 119.1(6) . .
C25' C20 N4 120.8(7) . .
C20 C21 C22 119.8(5) . .
C20 C21 H21 120.1 . .
C22 C21 H21 120.1 . .
C23 C22 C21 122.5(5) . .
C23 C22 H22 118.8 . .
C21 C22 H22 118.8 . .
C22 C23 C24' 111.5(6) . .
C22 C23 C24 116.7(5) . .
C22 C23 C23 121.2(6) . 7_556
C24' C23 C23 123.0(7) . 7_556
C24 C23 C23 120.2(6) . 7_556
C25 C24 C23 120.0(8) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C20 C25 C24 119.5(8) . .
C20 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
N5 C26 C27 110.6(5) . .
N5 C26 H26 124.7 . .
C27 C26 H26 124.7 . .
C26 C27 N6 105.2(5) . .
C26 C27 H27 127.4 . .
N6 C27 H27 127.4 . .
N5 C28 N6 111.7(4) . .
N5 C28 H28 124.2 . .
N6 C28 H28 124.2 . .
C30 C29 C34 119.7(4) . .
C30 C29 N6 120.6(5) . .
C34 C29 N6 119.7(4) . .
C29 C30 C31 119.6(5) . .
C29 C30 H30 120.2 . .
C31 C30 H30 120.2 . .
C30 C31 C32 121.8(5) . .
C30 C31 H31 119.1 . .
C32 C31 H31 119.1 . .
C33 C32 C31 117.4(4) . .
C33 C32 C43 120.5(5) . .
C31 C32 C43 122.0(5) . .
C34 C33 C32 121.6(5) . .
C34 C33 H33 119.2 . .
C32 C33 H33 119.2 . .
C33 C34 C29 119.8(5) . .
C33 C34 H34 120.1 . .
C29 C34 H34 120.1 . .
C41 C35 C43 121.0(5) 6_556 .
C41 C35 H35 119.5 6_556 .
C43 C35 H35 119.5 . .
C42 C36 C43 121.5(5) 6_556 .
C42 C36 H36 119.2 6_556 .
C43 C36 H36 119.2 . .
C38 C37 N1 109.6(4) . .
C38 C37 H37 125.2 . .
N1 C37 H37 125.2 . .
C37 C38 N2 106.7(4) . .
C37 C38 H38 126.7 . .
N2 C38 H38 126.7 . .
N1 C39 N2 111.3(4) . .
N1 C39 H39 124.4 . .
N2 C39 H39 124.4 . .
C42 C40 C41 118.9(4) . .
C42 C40 N2 121.8(4) . .
C41 C40 N2 119.3(4) . .
C40 C41 C35 120.9(5) . 6
C40 C41 H41 119.5 . .
C35 C41 H41 119.5 6 .
C36 C42 C40 120.5(4) 6 .
C36 C42 H42 119.7 6 .
C40 C42 H42 119.7 . .
C35 C43 C36 117.2(5) . .
C35 C43 C32 120.4(5) . .
C36 C43 C32 122.4(5) . .
C25' C24' C23 123.4(10) . .
C25' C24' H24' 118.3 . .
C23 C24' H24' 118.3 . .
C24' C25' C20 118.0(11) . .
C24' C25' H25' 121.0 . .
C20 C25' H25' 121.0 . .
O5 Co1 N1 105.95(14) . .
O5 Co1 N3 91.50(14) . .
N1 Co1 N3 106.43(15) . .
O5 Co1 O7 105.82(13) . .
N1 Co1 O7 132.89(14) . .
N3 Co1 O7 106.57(14) . .
O5 Co1 O8 165.53(12) . .
N1 Co1 O8 86.85(13) . .
N3 Co1 O8 91.26(13) . .
O7 Co1 O8 59.83(12) . .
O5 Co1 C16 135.96(14) . .
N1 Co1 C16 111.76(15) . .
N3 Co1 C16 98.74(14) . .
O7 Co1 C16 30.28(13) . .
O8 Co1 C16 29.61(12) . .
N5 Co2 N5 94.3(2) . 2
N5 Co2 O1 104.98(14) . 2
N5 Co2 O1 102.02(15) 2 2
N5 Co2 O1 102.02(15) . .
N5 Co2 O1 104.97(14) 2 .
O1 Co2 O1 139.87(19) 2 .
N5 Co2 O2 165.51(14) . 2
N5 Co2 O2 92.42(15) 2 2
O1 Co2 O2 60.99(13) 2 2
O1 Co2 O2 88.58(14) . 2
N5 Co2 O2 92.42(15) . .
N5 Co2 O2 165.51(14) 2 .
O1 Co2 O2 88.58(14) 2 .
O1 Co2 O2 60.99(13) . .
O2 Co2 O2 84.04(19) 2 .
N5 Co2 C1 101.98(16) . .
N5 Co2 C1 135.11(15) 2 .
O1 Co2 C1 113.33(15) 2 .
O1 Co2 C1 30.90(14) . .
O2 Co2 C1 82.01(14) 2 .
O2 Co2 C1 30.50(14) . .
N5 Co2 C1 135.11(15) . 2
N5 Co2 C1 101.97(16) 2 2
O1 Co2 C1 30.89(14) 2 2
O1 Co2 C1 113.33(15) . 2
O2 Co2 C1 30.50(14) 2 2
O2 Co2 C1 82.01(14) . 2
C1 Co2 C1 95.3(2) . 2
C39 N1 C37 106.0(4) . .
C39 N1 Co1 126.8(3) . .
C37 N1 Co1 126.9(3) . .
C39 N2 C38 106.4(4) . .
C39 N2 C40 128.0(4) . .
C38 N2 C40 125.5(4) . .
C19 N3 C17 106.2(4) . .
C19 N3 Co1 130.1(3) . .
C17 N3 Co1 123.6(3) . .
C19 N4 C18 106.8(4) . .
C19 N4 C20 126.3(4) . .
C18 N4 C20 126.8(4) . .
C28 N5 C26 105.3(4) . .
C28 N5 Co2 128.7(3) . .
C26 N5 Co2 125.8(3) . .
C28 N6 C27 107.2(4) . .
C28 N6 C29 127.6(4) . .
C27 N6 C29 125.2(4) . .
C1 O1 Co2 90.5(3) . .
C1 O2 Co2 87.3(3) . .
C6 O3 C8 116.5(4) . .
C5 O4 C9 118.8(4) . .
C12 O5 Co1 103.4(3) . .
C16 O7 Co1 95.3(3) . .
C16 O8 Co1 84.1(3) . .
H9A O9 H9B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.262(6) .
C1 O1 1.276(6) .
C1 C2 1.490(7) .
C1 Co2 2.485(5) .
C2 C3 1.385(7) .
C2 C7 1.392(7) .
C3 C4 1.395(7) .
C3 H3 0.9300 .
C4 C5 1.383(7) .
C4 H4 0.9300 .
C5 O4 1.386(6) .
C5 C6 1.401(7) .
C6 O3 1.369(6) .
C6 C7 1.377(7) .
C7 H7 0.9300 .
C8 O3 1.415(6) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.374(7) .
C9 C11 1.381(6) .
C9 O4 1.410(5) .
C10 C13 1.374(7) 4
C10 H10 0.9300 .
C11 C15 1.412(6) 4
C11 C12 1.509(6) .
C12 O6 1.226(5) .
C12 O5 1.277(5) .
C13 C10 1.374(7) 4_545
C13 C14 1.382(7) .
C13 H13 0.9300 .
C14 C15 1.389(6) .
C14 H14 0.9300 .
C15 C11 1.412(6) 4_545
C15 C16 1.483(6) .
C16 O8 1.251(5) .
C16 O7 1.275(5) .
C16 Co1 2.518(5) .
C17 C18 1.338(7) .
C17 N3 1.378(6) .
C17 H17 0.9300 .
C18 N4 1.385(6) .
C18 H18 0.9300 .
C19 N3 1.315(6) .
C19 N4 1.355(6) .
C19 H19 0.9300 .
C20 C21 1.364(7) .
C20 C25 1.388(11) .
C20 C25' 1.404(13) .
C20 N4 1.432(6) .
C21 C22 1.379(7) .
C21 H21 0.9300 .
C22 C23 1.353(7) .
C22 H22 0.9300 .
C23 C24' 1.393(13) .
C23 C24 1.404(11) .
C23 C23 1.493(9) 7_556
C24 C25 1.397(13) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 N5 1.356(7) .
C26 C27 1.359(7) .
C26 H26 0.9300 .
C27 N6 1.378(7) .
C27 H27 0.9300 .
C28 N5 1.322(6) .
C28 N6 1.335(6) .
C28 H28 0.9300 .
C29 C30 1.384(7) .
C29 C34 1.387(7) .
C29 N6 1.440(6) .
C30 C31 1.385(7) .
C30 H30 0.9300 .
C31 C32 1.390(7) .
C31 H31 0.9300 .
C32 C33 1.388(7) .
C32 C43 1.477(7) .
C33 C34 1.386(7) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C41 1.380(7) 6_556
C35 C43 1.385(7) .
C35 H35 0.9300 .
C36 C42 1.372(7) 6_556
C36 C43 1.399(7) .
C36 H36 0.9300 .
C37 C38 1.344(7) .
C37 N1 1.375(6) .
C37 H37 0.9300 .
C38 N2 1.381(6) .
C38 H38 0.9300 .
C39 N1 1.316(6) .
C39 N2 1.352(6) .
C39 H39 0.9300 .
C40 C42 1.373(7) .
C40 C41 1.377(7) .
C40 N2 1.434(6) .
C41 C35 1.380(7) 6
C41 H41 0.9300 .
C42 C36 1.372(7) 6
C42 H42 0.9300 .
C24' C25' 1.357(17) .
C24' H24' 0.9300 .
C25' H25' 0.9300 .
Co1 O5 2.009(3) .
Co1 N1 2.035(4) .
Co1 N3 2.041(4) .
Co1 O7 2.056(3) .
Co1 O8 2.317(3) .
Co2 N5 2.078(4) .
Co2 N5 2.078(4) 2
Co2 O1 2.121(3) 2
Co2 O1 2.121(3) .
Co2 O2 2.200(4) 2
Co2 O2 2.200(4) .
Co2 C1 2.485(5) 2
O9 H9A 0.8495 .
O9 H9B 0.8501 .
