#------------------------------------------------------------------------------
#$Date: 2019-10-01 03:38:59 +0300 (Tue, 01 Oct 2019) $
#$Revision: 218945 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/42/7234253.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_7234253
loop_
_publ_author_name
'Zhao, Fei'
'Dong, Zhen-Peng'
'Liu, Zhiliang'
'Wang, Yan-Qin'
_publ_section_title
;
 An unusual homospin CoII ferrimagnetic single-chain magnet with large
 hysteresis
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C9CE01246J
_journal_year                    2019
_chemical_formula_sum            'C88 H62 Co3 N28 O4'
_chemical_formula_weight         1752.45
_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_Hall  '-P 2ybc'
_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
_audit_update_record
;
2018-12-19 deposited with the CCDC.    2019-09-30 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 106.039(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.5322(6)
_cell_length_b                   6.80496(14)
_cell_length_c                   32.4249(11)
_cell_measurement_reflns_used    6413
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.1460
_cell_measurement_theta_min      4.7210
_cell_volume                     4142.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed X-ray tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_av_sigmaI/netI    0.0545
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            29553
_diffrn_reflns_theta_full        67.24
_diffrn_reflns_theta_max         67.24
_diffrn_reflns_theta_min         2.84
_diffrn_standards_number         29553
_exptl_absorpt_coefficient_mu    5.225
_exptl_absorpt_correction_T_max  0.5972
_exptl_absorpt_correction_T_min  0.5728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1798
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.445
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     593
_refine_ls_number_reflns         7422
_refine_ls_number_restraints     1830
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0531
_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)+(0.0597P)²+3.8496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1363
_reflns_number_gt                5653
_reflns_number_total             7422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9ce01246j2.cif
_cod_data_source_block           exp_9320
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7234253
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 0.0000 1.0000 0.5000 0.02095(17) Uani 1 2 d SU . .
Co2 Co 0.03023(3) 1.45403(7) 0.548073(16) 0.02162(14) Uani 1 1 d U . .
N1 N 0.10375(13) 1.1175(4) 0.51956(9) 0.0270(6) Uani 1 1 d U . .
N2 N 0.11682(13) 1.2979(4) 0.53635(9) 0.0271(6) Uani 1 1 d U . .
N3 N 0.18665(14) 1.3302(4) 0.54796(9) 0.0338(7) Uani 1 1 d U . .
N4 N 0.16494(15) 1.0304(4) 0.52012(10) 0.0336(7) Uani 1 1 d U . .
N5 N 0.79802(19) 1.4114(6) 0.54652(13) 0.0608(10) Uani 1 1 d U . .
N6 N 0.66104(17) 0.9253(5) 0.60797(13) 0.0551(9) Uani 1 1 d U . .
N7 N 0.7018(3) 0.3304(8) 0.70372(19) 0.1088(18) Uani 1 1 d U . .
N8 N 0.01065(15) 1.2106(4) 0.58541(9) 0.0292(6) Uani 1 1 d U . .
N9 N -0.00637(16) 1.2123(4) 0.62244(9) 0.0328(7) Uani 1 1 d U . .
N10 N -0.03806(15) 0.9289(4) 0.58944(9) 0.0315(6) Uani 1 1 d U . .
N11 N -0.00845(14) 1.0410(4) 0.56538(9) 0.0263(6) Uani 1 1 d U . .
N12 N -0.09806(14) 0.1069(4) 0.89817(9) 0.0278(6) Uani 1 1 d U . .
N13 N -0.23608(17) 0.6699(5) 0.81502(11) 0.0461(8) Uani 1 1 d U . .
N14 N -0.4340(3) 1.1250(10) 0.8197(2) 0.1166(18) Uani 1 1 d U . .
O1 O 0.03365(10) 1.6962(3) 0.50675(7) 0.0230(5) Uani 1 1 d U . .
H1C H 0.0093 1.7906 0.5125 0.035 Uiso 1 1 d R . .
O2 O -0.06236(12) 1.5638(3) 0.56007(8) 0.0345(6) Uani 1 1 d U . .
H2A H -0.0720 1.6755 0.5481 0.052 Uiso 1 1 d R . .
H2B H -0.0966 1.4852 0.5498 0.052 Uiso 1 1 d R . .
C1 C 0.21435(17) 1.1634(5) 0.53766(11) 0.0322(8) Uani 1 1 d U . .
C2 C 0.29151(18) 1.1268(6) 0.54726(13) 0.0411(9) Uani 1 1 d U . .
C3 C 0.3398(2) 1.2788(6) 0.55819(16) 0.0576(11) Uani 1 1 d U . .
H3 H 0.3235 1.4069 0.5587 0.069 Uiso 1 1 calc R . .
C4 C 0.4125(2) 1.2427(7) 0.56840(16) 0.0624(12) Uani 1 1 d U . .
H4 H 0.4443 1.3473 0.5750 0.075 Uiso 1 1 calc R . .
C5 C 0.4382(2) 1.0532(7) 0.56883(16) 0.0552(11) Uani 1 1 d U . .
C6 C 0.3893(2) 0.9020(7) 0.55727(17) 0.0642(12) Uani 1 1 d U . .
H6 H 0.4055 0.7737 0.5570 0.077 Uiso 1 1 calc R . .
C7 C 0.3168(2) 0.9377(6) 0.54615(16) 0.0556(11) Uani 1 1 d U . .
H7 H 0.2849 0.8340 0.5379 0.067 Uiso 1 1 calc R . .
C8 C 0.5159(2) 1.0105(7) 0.58257(17) 0.0594(11) Uani 1 1 d U . .
C9 C 0.5641(2) 1.1231(7) 0.56825(16) 0.0594(12) Uani 1 1 d U . .
H9 H 0.5483 1.2281 0.5497 0.071 Uiso 1 1 calc R . .
C10 C 0.6365(2) 1.0769(7) 0.58206(15) 0.0531(11) Uani 1 1 d U . .
C11 C 0.6146(2) 0.8195(7) 0.62238(16) 0.0614(12) Uani 1 1 d U . .
C12 C 0.5420(2) 0.8597(7) 0.61047(17) 0.0646(12) Uani 1 1 d U . .
H12 H 0.5113 0.7845 0.6214 0.078 Uiso 1 1 calc R . .
C13 C 0.6909(2) 1.1934(6) 0.56821(14) 0.0504(10) Uani 1 1 d U . .
C14 C 0.6791(2) 1.3822(7) 0.55225(17) 0.0639(12) Uani 1 1 d U . .
H14 H 0.6347 1.4405 0.5483 0.077 Uiso 1 1 calc R . .
C15 C 0.7333(3) 1.4840(7) 0.54215(17) 0.0678(13) Uani 1 1 d U . .
H15 H 0.7240 1.6112 0.5316 0.081 Uiso 1 1 calc R . .
C16 C 0.8085(2) 1.2286(7) 0.56039(15) 0.0608(12) Uani 1 1 d U . .
H16 H 0.8526 1.1715 0.5625 0.073 Uiso 1 1 calc R . .
C17 C 0.7574(2) 1.1165(7) 0.57200(16) 0.0585(12) Uani 1 1 d U . .
H17 H 0.7681 0.9895 0.5823 0.070 Uiso 1 1 calc R . .
C18 C 0.6452(2) 0.6553(8) 0.65147(17) 0.0676(13) Uani 1 1 d U . .
C19 C 0.7088(2) 0.5716(8) 0.65247(18) 0.0729(14) Uani 1 1 d U . .
H19 H 0.7362 0.6227 0.6357 0.087 Uiso 1 1 calc R . .
C20 C 0.7327(3) 0.4121(9) 0.6782(2) 0.0902(17) Uani 1 1 d U . .
H20 H 0.7757 0.3577 0.6769 0.108 Uiso 1 1 calc R . .
C21 C 0.6415(4) 0.4171(12) 0.7048(3) 0.132(2) Uani 1 1 d U . .
H21 H 0.6178 0.3681 0.7238 0.158 Uiso 1 1 calc R . .
C22 C 0.6115(3) 0.5752(10) 0.6795(2) 0.114(2) Uani 1 1 d U . .
H22 H 0.5684 0.6274 0.6814 0.136 Uiso 1 1 calc R . .
C23 C -0.03607(18) 1.0361(5) 0.62412(11) 0.0303(7) Uani 1 1 d U . .
C24 C -0.0666(2) 0.9739(5) 0.65892(11) 0.0341(8) Uani 1 1 d U . .
C25 C -0.0861(2) 1.1120(6) 0.68473(12) 0.0455(9) Uani 1 1 d U . .
H25 H -0.0770 1.2443 0.6814 0.055 Uiso 1 1 calc R . .
C26 C -0.1190(2) 1.0561(6) 0.71544(13) 0.0470(10) Uani 1 1 d U . .
H26 H -0.1331 1.1518 0.7319 0.056 Uiso 1 1 calc R . .
C27 C -0.1313(2) 0.8603(6) 0.72224(12) 0.0392(9) Uani 1 1 d U . .
C28 C -0.1093(2) 0.7229(6) 0.69699(14) 0.0511(10) Uani 1 1 d U . .
H28 H -0.1157 0.5900 0.7015 0.061 Uiso 1 1 calc R . .
C29 C -0.0783(2) 0.7775(6) 0.66531(13) 0.0459(10) Uani 1 1 d U . .
H29 H -0.0653 0.6824 0.6483 0.055 Uiso 1 1 calc R . .
C30 C -0.1675(2) 0.7971(6) 0.75487(12) 0.0401(9) Uani 1 1 d U . .
C31 C -0.2262(2) 0.8969(6) 0.76041(13) 0.0486(10) Uani 1 1 d U . .
H31 H -0.2438 1.0071 0.7439 0.058 Uiso 1 1 calc R . .
C32 C -0.2582(2) 0.8296(7) 0.79098(14) 0.0524(10) Uani 1 1 d U A .
C33 C -0.17915(19) 0.5738(5) 0.80976(12) 0.0372(8) Uani 1 1 d U . .
C34 C -0.1438(2) 0.6334(6) 0.78030(12) 0.0401(9) Uani 1 1 d U . .
H34 H -0.1044 0.5638 0.7776 0.048 Uiso 1 1 calc R . .
C35 C -0.3203(3) 0.9323(8) 0.79984(17) 0.0669(12) Uani 1 1 d U . .
C36 C -0.3281(5) 1.1335(14) 0.7987(3) 0.082(2) Uani 0.628(5) 1 d PU A 1
H36 H -0.2953 1.2112 0.7902 0.098 Uiso 0.628(5) 1 calc PR A 1
C37 C -0.3839(5) 1.2216(16) 0.8100(3) 0.096(2) Uani 0.628(5) 1 d PU A 1
H37 H -0.3854 1.3581 0.8107 0.116 Uiso 0.628(5) 1 calc PR A 1
C38 C -0.4261(5) 0.9230(15) 0.8231(3) 0.090(2) Uani 0.628(5) 1 d PU A 1
H38 H -0.4601 0.8491 0.8313 0.108 Uiso 0.628(5) 1 calc PR A 1
C39 C -0.3695(4) 0.8294(14) 0.8147(3) 0.078(2) Uani 0.628(5) 1 d PU A 1
H39 H -0.3641 0.6945 0.8190 0.094 Uiso 0.628(5) 1 calc PR A 1
C36' C -0.3782(8) 0.992(2) 0.7635(6) 0.083(3) Uani 0.372(5) 1 d PU A 2
H36' H -0.3769 0.9715 0.7354 0.100 Uiso 0.372(5) 1 calc PR A 2
C37' C -0.4373(9) 1.086(3) 0.7732(6) 0.098(3) Uani 0.372(5) 1 d PU A 2
H37' H -0.4772 1.1215 0.7513 0.118 Uiso 0.372(5) 1 calc PR A 2
C38' C -0.3792(9) 1.081(3) 0.8469(6) 0.095(3) Uani 0.372(5) 1 d PU A 2
H38' H -0.3745 1.1211 0.8749 0.115 Uiso 0.372(5) 1 calc PR A 2
C39' C -0.3231(9) 0.974(2) 0.8392(6) 0.088(3) Uani 0.372(5) 1 d PU A 2
H39' H -0.2866 0.9307 0.8624 0.106 Uiso 0.372(5) 1 calc PR A 2
C40 C -0.15438(18) 0.4033(5) 0.83858(11) 0.0331(8) Uani 1 1 d U . .
C41 C -0.17511(19) 0.3828(5) 0.87579(12) 0.0381(8) Uani 1 1 d U . .
H41 H -0.2084 0.4685 0.8816 0.046 Uiso 1 1 calc R . .
C42 C -0.14625(19) 0.2348(5) 0.90427(11) 0.0364(8) Uani 1 1 d U . .
H42 H -0.1611 0.2233 0.9291 0.044 Uiso 1 1 calc R . .
C43 C -0.0820(2) 0.1172(5) 0.86082(11) 0.0355(8) Uani 1 1 d U . .
H43 H -0.0515 0.0234 0.8548 0.043 Uiso 1 1 calc R . .
C44 C -0.10884(19) 0.2617(5) 0.83063(11) 0.0377(8) Uani 1 1 d U . .
H44 H -0.0962 0.2635 0.8050 0.045 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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
N1 Co1 N1 180.00(7) 3_576 .
N1 Co1 O1 95.28(9) 3_576 3_586
N1 Co1 O1 84.72(9) . 3_586
N1 Co1 O1 84.72(9) 3_576 1_545
N1 Co1 O1 95.28(9) . 1_545
O1 Co1 O1 180.00(11) 3_586 1_545
N1 Co1 N11 90.93(10) 3_576 .
N1 Co1 N11 89.07(10) . .
O1 Co1 N11 82.76(9) 3_586 .
O1 Co1 N11 97.24(9) 1_545 .
N1 Co1 N11 89.07(10) 3_576 3_576
N1 Co1 N11 90.93(10) . 3_576
O1 Co1 N11 97.24(9) 3_586 3_576
O1 Co1 N11 82.76(9) 1_545 3_576
N11 Co1 N11 180.000(1) . 3_576
O2 Co2 N2 170.84(10) . .
O2 Co2 O1 89.40(9) . 3_586
N2 Co2 O1 85.54(9) . 3_586
O2 Co2 O1 91.12(9) . .
N2 Co2 O1 96.28(9) . .
O1 Co2 O1 87.68(8) 3_586 .
O2 Co2 N12 92.72(10) . 2_566
N2 Co2 N12 92.54(10) . 2_566
O1 Co2 N12 177.49(9) 3_586 2_566
O1 Co2 N12 90.93(9) . 2_566
O2 Co2 N8 82.70(10) . .
N2 Co2 N8 89.41(11) . .
O1 Co2 N8 86.89(9) 3_586 .
O1 Co2 N8 171.81(10) . .
N12 Co2 N8 94.71(10) 2_566 .
N4 N1 N2 109.5(2) . .
N4 N1 Co1 128.4(2) . .
N2 N1 Co1 122.00(19) . .
N3 N2 N1 109.4(2) . .
N3 N2 Co2 132.4(2) . .
N1 N2 Co2 117.44(19) . .
N2 N3 C1 104.1(3) . .
N1 N4 C1 104.3(3) . .
C16 N5 C15 116.2(4) . .
C10 N6 C11 118.4(3) . .
C20 N7 C21 113.9(5) . .
N11 N8 N9 110.0(3) . .
N11 N8 Co2 117.7(2) . .
N9 N8 Co2 129.0(2) . .
N8 N9 C23 104.3(3) . .
C23 N10 N11 105.3(3) . .
N8 N11 N10 108.7(3) . .
N8 N11 Co1 119.92(19) . .
N10 N11 Co1 130.9(2) . .
C43 N12 C42 116.9(3) . .
C43 N12 Co2 121.1(2) . 2_536
C42 N12 Co2 119.9(2) . 2_536
C32 N13 C33 117.9(3) . .
C38' N14 C37 74.2(10) . .
C38' N14 C38 68.9(10) . .
C37 N14 C38 116.8(7) . .
C38' N14 C37' 117.4(11) . .
C37 N14 C37' 71.0(8) . .
C38 N14 C37' 82.9(8) . .
Co2 O1 Co2 92.32(8) 3_586 .
Co2 O1 Co1 106.44(9) 3_586 1_565
Co2 O1 Co1 137.71(10) . 1_565
N4 C1 N3 112.8(3) . .
N4 C1 C2 123.7(3) . .
N3 C1 C2 123.4(3) . .
C3 C2 C7 118.8(3) . .
C3 C2 C1 121.0(4) . .
C7 C2 C1 120.2(3) . .
C2 C3 C4 120.7(4) . .
C5 C4 C3 120.7(4) . .
C4 C5 C6 118.1(4) . .
C4 C5 C8 121.5(4) . .
C6 C5 C8 120.4(4) . .
C7 C6 C5 121.4(4) . .
C2 C7 C6 120.3(4) . .
C12 C8 C9 118.1(4) . .
C12 C8 C5 120.5(4) . .
C9 C8 C5 121.4(4) . .
C8 C9 C10 119.2(4) . .
N6 C10 C9 122.2(4) . .
N6 C10 C13 116.0(3) . .
C9 C10 C13 121.8(4) . .
N6 C11 C12 122.3(4) . .
N6 C11 C18 115.9(4) . .
C12 C11 C18 121.8(4) . .
C8 C12 C11 119.7(4) . .
C17 C13 C14 116.3(4) . .
C17 C13 C10 120.3(4) . .
C14 C13 C10 123.3(4) . .
C15 C14 C13 119.9(4) . .
N5 C15 C14 124.0(5) . .
N5 C16 C17 123.7(4) . .
C13 C17 C16 120.0(4) . .
C19 C18 C22 114.9(5) . .
C19 C18 C11 122.5(4) . .
C22 C18 C11 122.6(5) . .
C18 C19 C20 120.1(5) . .
N7 C20 C19 126.7(6) . .
N7 C21 C22 124.4(6) . .
C18 C22 C21 119.9(6) . .
N10 C23 N9 111.6(3) . .
N10 C23 C24 124.4(3) . .
N9 C23 C24 124.0(3) . .
C25 C24 C29 118.9(3) . .
C25 C24 C23 120.4(3) . .
C29 C24 C23 120.7(3) . .
C26 C25 C24 120.8(4) . .
C25 C26 C27 121.1(4) . .
C26 C27 C28 117.4(3) . .
C26 C27 C30 121.9(3) . .
C28 C27 C30 120.7(3) . .
C29 C28 C27 121.9(4) . .
C28 C29 C24 119.8(4) . .
C31 C30 C34 117.9(3) . .
C31 C30 C27 121.5(3) . .
C34 C30 C27 120.6(3) . .
C30 C31 C32 118.9(4) . .
N13 C32 C31 123.2(4) . .
N13 C32 C35 114.6(4) . .
C31 C32 C35 122.2(4) . .
N13 C33 C34 122.2(3) . .
N13 C33 C40 116.0(3) . .
C34 C33 C40 121.7(3) . .
C33 C34 C30 119.9(3) . .
C39' C35 C36 77.2(9) . .
C39' C35 C39 63.5(8) . .
C36 C35 C39 115.5(6) . .
C39' C35 C36' 119.5(10) . .
C36 C35 C36' 69.0(7) . .
C39 C35 C36' 88.0(8) . .
C39' C35 C32 122.5(8) . .
C36 C35 C32 123.4(5) . .
C39 C35 C32 120.6(5) . .
C36' C35 C32 117.9(7) . .
C35 C36 C37 121.0(9) . .
N14 C37 C36 123.5(10) . .
C39 C38 N14 121.8(8) . .
C38 C39 C35 120.8(8) . .
C37' C36' C35 116.3(15) . .
C36' C37' N14 118.9(14) . .
N14 C38' C39' 125.2(18) . .
C35 C39' C38' 121.9(15) . .
C41 C40 C44 116.8(3) . .
C41 C40 C33 120.4(3) . .
C44 C40 C33 122.8(3) . .
C42 C41 C40 119.7(3) . .
N12 C42 C41 123.5(3) . .
N12 C43 C44 122.8(3) . .
C40 C44 C43 120.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N1 2.106(3) 3_576
Co1 N1 2.106(3) .
Co1 O1 2.162(2) 3_586
Co1 O1 2.162(2) 1_545
Co1 N11 2.189(3) .
Co1 N11 2.189(3) 3_576
Co2 O2 2.090(2) .
Co2 N2 2.119(3) .
Co2 O1 2.130(2) 3_586
Co2 O1 2.137(2) .
Co2 N12 2.144(3) 2_566
Co2 N8 2.147(3) .
N1 N4 1.329(4) .
N1 N2 1.339(4) .
N2 N3 1.329(4) .
N3 C1 1.339(4) .
N4 C1 1.330(4) .
N5 C16 1.319(6) .
N5 C15 1.328(6) .
N6 C10 1.333(5) .
N6 C11 1.339(5) .
N7 C20 1.279(7) .
N7 C21 1.327(8) .
N8 N11 1.327(4) .
N8 N9 1.332(4) .
N9 C23 1.340(4) .
N10 C23 1.332(4) .
N10 N11 1.332(4) .
N12 C43 1.334(4) .
N12 C42 1.336(4) .
N12 Co2 2.144(3) 2_536
N13 C32 1.337(5) .
N13 C33 1.341(4) .
N14 C38' 1.223(18) .
N14 C37 1.287(11) .
N14 C38 1.384(11) .
N14 C37' 1.516(19) .
O1 Co2 2.130(2) 3_586
O1 Co1 2.162(2) 1_565
C1 C2 1.474(5) .
C2 C3 1.379(5) .
C2 C7 1.382(5) .
C3 C4 1.388(5) .
C4 C5 1.382(6) .
C5 C6 1.383(6) .
C5 C8 1.488(5) .
C6 C7 1.383(5) .
C8 C12 1.370(6) .
C8 C9 1.389(6) .
C9 C10 1.396(5) .
C10 C13 1.491(5) .
C11 C12 1.391(5) .
C11 C18 1.478(6) .
C13 C17 1.375(5) .
C13 C14 1.380(6) .
C14 C15 1.378(6) .
C16 C17 1.389(6) .
C18 C19 1.360(6) .
C18 C22 1.374(7) .
C19 C20 1.369(7) .
C21 C22 1.381(8) .
C23 C24 1.477(5) .
C24 C25 1.380(5) .
C24 C29 1.381(5) .
C25 C26 1.380(5) .
C26 C27 1.382(5) .
C27 C28 1.386(5) .
C27 C30 1.489(5) .
C28 C29 1.381(5) .
C30 C31 1.386(5) .
C30 C34 1.387(5) .
C31 C32 1.388(5) .
C32 C35 1.495(6) .
C33 C34 1.384(5) .
C33 C40 1.484(5) .
C35 C39' 1.323(17) .
C35 C36 1.377(10) .
C35 C39 1.379(9) .
C35 C36' 1.449(16) .
C36 C37 1.380(11) .
C38 C39 1.367(11) .
C36' C37' 1.426(19) .
C38' C39' 1.392(19) .
C40 C41 1.382(5) .
C40 C44 1.383(5) .
C41 C42 1.378(5) .
C43 C44 1.384(5) .
