#------------------------------------------------------------------------------
#$Date: 2022-10-23 01:49:06 +0300 (Sun, 23 Oct 2022) $
#$Revision: 278723 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/15/7711525.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_7711525
loop_
_publ_author_name
'Yang, Ming-Xing'
'Yan, Rong-Zhi'
'Chen, Lijuan'
'Lin, Shen'
_publ_section_title
;
 Five 3D Co(II)-MOFs constructed from 5-(2-methylimidazol-1-yl)
 isophthalic acid and different bis(imidazole) ligands and one of their
 derivatives as an efficient electrocatalyst for ORR
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02383K
_journal_year                    2022
_chemical_formula_moiety         'C42 H36 Co2 N8 O12'
_chemical_formula_sum            'C42 H36 Co2 N8 O12'
_chemical_formula_weight         962.65
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-07-20 deposited with the CCDC.	2022-10-20 downloaded from the CCDC.
;
_cell_angle_alpha                88.728(4)
_cell_angle_beta                 82.586(3)
_cell_angle_gamma                87.645(4)
_cell_formula_units_Z            2
_cell_length_a                   10.1563(4)
_cell_length_b                   13.5437(8)
_cell_length_c                   15.3945(6)
_cell_measurement_reflns_used    3668
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.9920
_cell_measurement_theta_min      3.9130
_cell_volume                     2097.79(17)
_computing_cell_refinement       '(CrystalClear; Rigaku, 2002)'
_computing_data_collection       '(CrystalClear; Rigaku, 2002)'
_computing_data_reduction        '(CrystalClear; Rigaku, 2002)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0395
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18432
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.100
_diffrn_reflns_theta_min         3.136
_exptl_absorpt_coefficient_mu    0.865
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2002)'
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_description       block
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.400
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         8322
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0488P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0993
_refine_ls_wR_factor_ref         0.1150
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5573
_reflns_number_total             8322
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02383k2.cif
_cod_data_source_block           C42H36Co2N8O12
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7711525
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Co1 Co 1.54451(4) 2.15471(3) 0.59419(3) 0.03317(13) Uani 1 1 d . . . . .
Co2 Co 1.05983(4) 1.58894(3) 0.86608(3) 0.03345(13) Uani 1 1 d . . . . .
O1 O 0.18880(17) 1.62622(16) 0.94511(14) 0.0394(5) Uani 1 1 d . . . . .
O2 O 0.32439(19) 1.58153(18) 0.82864(15) 0.0458(6) Uani 1 1 d . . . . .
O3 O 0.80548(19) 1.5662(2) 0.83437(16) 0.0553(7) Uani 1 1 d . . . . .
O4 O 0.89372(18) 1.62211(17) 0.94658(15) 0.0462(6) Uani 1 1 d . . . . .
O5 O 0.68945(18) 2.05189(16) 0.60660(14) 0.0404(6) Uani 1 1 d . . . . .
O6 O 0.79068(19) 2.19025(18) 0.56950(16) 0.0455(6) Uani 1 1 d . . . . .
O7 O 1.2763(2) 2.20323(19) 0.58976(18) 0.0566(7) Uani 1 1 d . . . . .
O8 O 1.39165(18) 2.06560(17) 0.61159(15) 0.0454(6) Uani 1 1 d . . . . .
O9 O 0.7302(3) 0.95450(19) 0.93608(16) 0.0635(7) Uani 1 1 d . . . . .
N1 N 0.4818(3) 1.6731(2) 1.18029(18) 0.0431(7) Uani 1 1 d . . . . .
N2 N 0.4640(3) 1.7464(2) 1.30724(19) 0.0467(7) Uani 1 1 d . . . . .
N3 N 1.0595(2) 1.6739(2) 0.75601(17) 0.0399(7) Uani 1 1 d . . . . .
N4 N 1.0507(2) 1.8024(2) 0.66772(17) 0.0369(6) Uani 1 1 d . . . . .
N5 N 1.0718(2) 1.4455(2) 0.83462(17) 0.0380(6) Uani 1 1 d . . . . .
N6 N 1.0060(3) 1.2933(2) 0.83173(18) 0.0446(7) Uani 1 1 d . . . . .
N7 N 0.4963(2) 0.7939(2) 0.66739(17) 0.0390(7) Uani 1 1 d . . . . .
N8 N 0.4514(2) 0.7977(2) 0.53203(17) 0.0351(6) Uani 1 1 d . . . . .
C1 C 0.4204(3) 1.6244(2) 0.9548(2) 0.0309(7) Uani 1 1 d . . . . .
C2 C 0.5484(2) 1.6106(2) 0.9130(2) 0.0304(7) Uani 1 1 d . . . . .
H2B H 0.561571 1.594731 0.853950 0.037 Uiso 1 1 calc R U . . .
C3 C 0.6578(3) 1.6201(2) 0.9575(2) 0.0326(7) Uani 1 1 d . . . . .
C4 C 0.6378(3) 1.6425(2) 1.0458(2) 0.0386(8) Uani 1 1 d . . . . .
H4A H 0.709884 1.649047 1.076493 0.046 Uiso 1 1 calc R U . . .
C5 C 0.5092(3) 1.6552(2) 1.0877(2) 0.0390(8) Uani 1 1 d . . . . .
C6 C 0.4012(3) 1.6476(2) 1.0423(2) 0.0377(8) Uani 1 1 d . . . . .
H6A H 0.315544 1.658251 1.070854 0.045 Uiso 1 1 calc R U . . .
C7 C 0.3048(3) 1.6097(2) 0.9047(2) 0.0314(7) Uani 1 1 d . . . . .
C8 C 0.7941(3) 1.6010(3) 0.9084(2) 0.0396(8) Uani 1 1 d . . . . .
C9 C 0.3980(5) 1.6183(3) 1.2380(3) 0.0741(13) Uani 1 1 d . . . . .
H9A H 0.355621 1.561691 1.225669 0.089 Uiso 1 1 calc R U . . .
C10 C 0.3893(5) 1.6626(3) 1.3156(3) 0.0788(14) Uani 1 1 d . . . . .
H10A H 0.340558 1.640507 1.367126 0.095 Uiso 1 1 calc R U . . .
C11 C 0.5167(3) 1.7500(3) 1.2249(2) 0.0407(8) Uani 1 1 d . . . . .
C12 C 0.6038(4) 1.8284(3) 1.1850(3) 0.0719(12) Uani 1 1 d . . . . .
H12A H 0.629843 1.814957 1.124090 0.108 Uiso 1 1 calc R U . . .
H12B H 0.556574 1.891260 1.190615 0.108 Uiso 1 1 calc R U . . .
H12C H 0.681515 1.829756 1.214397 0.108 Uiso 1 1 calc R U . . .
C13 C 1.1601(2) 2.0549(2) 0.60808(19) 0.0319(7) Uani 1 1 d . . . . .
C14 C 1.0402(3) 2.1015(2) 0.59317(19) 0.0308(7) Uani 1 1 d . . . . .
H14A H 1.037375 2.168350 0.577957 0.037 Uiso 1 1 calc R U . . .
C15 C 0.9251(3) 2.0490(2) 0.60083(19) 0.0297(7) Uani 1 1 d . . . . .
C16 C 0.9289(3) 1.9496(2) 0.62412(19) 0.0328(7) Uani 1 1 d . . . . .
H16A H 0.851813 1.914058 0.629773 0.039 Uiso 1 1 calc R U . . .
C17 C 1.0486(3) 1.9037(2) 0.6389(2) 0.0334(7) Uani 1 1 d . . . . .
C18 C 1.1640(3) 1.9556(2) 0.6292(2) 0.0348(8) Uani 1 1 d . . . . .
H18A H 1.244391 1.923410 0.636936 0.042 Uiso 1 1 calc R U . . .
C19 C 0.7938(3) 2.1019(3) 0.5899(2) 0.0342(8) Uani 1 1 d . . . . .
C20 C 1.2838(3) 2.1130(3) 0.6017(2) 0.0379(8) Uani 1 1 d . . . . .
C21 C 1.0200(4) 1.7224(3) 0.6227(2) 0.0530(10) Uani 1 1 d . . . . .
H21A H 0.999030 1.722277 0.565692 0.064 Uiso 1 1 calc R U . . .
C22 C 1.0261(4) 1.6443(3) 0.6772(2) 0.0533(10) Uani 1 1 d . . . . .
H22A H 1.010020 1.579661 0.663620 0.064 Uiso 1 1 calc R U . . .
C23 C 1.0746(3) 1.7695(2) 0.7488(2) 0.0354(8) Uani 1 1 d . . . . .
C24 C 1.1069(4) 1.8339(3) 0.8192(2) 0.0603(11) Uani 1 1 d . . . . .
H24A H 1.112670 1.900882 0.797644 0.090 Uiso 1 1 calc R U . . .
H24B H 1.038535 1.830620 0.868315 0.090 Uiso 1 1 calc R U . . .
H24C H 1.190507 1.812035 0.837217 0.090 Uiso 1 1 calc R U . . .
C25 C 1.1393(4) 1.3999(3) 0.7623(3) 0.0578(10) Uani 1 1 d . . . . .
H25A H 1.202845 1.428953 0.721902 0.069 Uiso 1 1 calc R U . . .
C26 C 1.0992(4) 1.3072(3) 0.7591(3) 0.0663(12) Uani 1 1 d . . . . .
H26A H 1.128491 1.261129 0.716330 0.080 Uiso 1 1 calc R U . . .
C27 C 0.9939(3) 1.3788(2) 0.8743(2) 0.0372(8) Uani 1 1 d . . . . .
H27A H 0.937035 1.389768 0.925799 0.045 Uiso 1 1 calc R U . . .
C28 C 0.9348(3) 1.2064(2) 0.8566(2) 0.0432(8) Uani 1 1 d . . . . .
C29 C 0.9398(4) 1.1638(3) 0.9379(2) 0.0553(10) Uani 1 1 d . . . . .
H29A H 0.990963 1.191030 0.976522 0.066 Uiso 1 1 calc R U . . .
C30 C 0.8695(4) 1.0811(3) 0.9624(2) 0.0570(10) Uani 1 1 d . . . . .
H30A H 0.872251 1.053431 1.018044 0.068 Uiso 1 1 calc R U . . .
C31 C 0.7957(4) 1.0389(3) 0.9063(2) 0.0480(9) Uani 1 1 d . . . . .
C32 C 0.7876(4) 1.0817(3) 0.8248(2) 0.0602(11) Uani 1 1 d . . . . .
H32A H 0.736222 1.054204 0.786423 0.072 Uiso 1 1 calc R U . . .
C33 C 0.8571(4) 1.1661(3) 0.8009(2) 0.0582(10) Uani 1 1 d . . . . .
H33A H 0.850985 1.195783 0.746442 0.070 Uiso 1 1 calc R U . . .
C34 C 0.6654(4) 0.9062(3) 0.8745(2) 0.0467(9) Uani 1 1 d . . . . .
C35 C 0.7326(3) 0.8350(3) 0.8248(3) 0.0589(11) Uani 1 1 d . . . . .
H35A H 0.817226 0.813280 0.835434 0.071 Uiso 1 1 calc R U . . .
C36 C 0.6741(3) 0.7943(3) 0.7576(2) 0.0554(10) Uani 1 1 d . . . . .
H36A H 0.719802 0.745402 0.722997 0.066 Uiso 1 1 calc R U . . .
C37 C 0.5514(3) 0.8258(2) 0.7427(2) 0.0401(8) Uani 1 1 d . . . . .
C38 C 0.4817(4) 0.8911(4) 0.7980(3) 0.0932(17) Uani 1 1 d . U . . .
H38A H 0.394529 0.909221 0.790526 0.112 Uiso 1 1 calc R U . . .
C39 C 0.5386(5) 0.9314(4) 0.8657(3) 0.0958(17) Uani 1 1 d . U . . .
H39A H 0.489680 0.975128 0.904261 0.115 Uiso 1 1 calc R U . . .
C40 C 0.4107(4) 0.7194(3) 0.6612(3) 0.0537(10) Uani 1 1 d . . . . .
H40A H 0.377784 0.675595 0.705293 0.064 Uiso 1 1 calc R U . . .
C41 C 0.3846(3) 0.7232(3) 0.5772(2) 0.0510(9) Uani 1 1 d . . . . .
H41A H 0.328936 0.681103 0.553631 0.061 Uiso 1 1 calc R U . . .
C42 C 0.5166(3) 0.8392(2) 0.5886(2) 0.0366(8) Uani 1 1 d . . . . .
H42A H 0.570060 0.893087 0.575824 0.044 Uiso 1 1 calc R 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'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O8 Co1 O5 97.73(9) . 1_655 ?
O8 Co1 N8 103.72(10) . 2_786 ?
O5 Co1 N8 111.25(9) 1_655 2_786 ?
O8 Co1 N2 111.65(11) . 2_797 ?
O5 Co1 N2 109.58(10) 1_655 2_797 ?
N8 Co1 N2 120.42(12) 2_786 2_797 ?
O1 Co2 O4 97.45(8) 1_655 . ?
O1 Co2 N5 114.19(9) 1_655 . ?
O4 Co2 N5 111.52(10) . . ?
O1 Co2 N3 114.94(10) 1_655 . ?
O4 Co2 N3 108.31(10) . . ?
N5 Co2 N3 109.74(11) . . ?
C7 O1 Co2 107.29(19) . 1_455 ?
C8 O4 Co2 108.3(2) . . ?
C19 O5 Co1 102.07(19) . 1_455 ?
C20 O8 Co1 110.8(2) . . ?
C31 O9 C34 116.1(3) . . ?
C11 N1 C9 106.8(3) . . ?
C11 N1 C5 128.3(3) . . ?
C9 N1 C5 124.4(3) . . ?
C11 N2 C10 105.5(3) . . ?
C11 N2 Co1 132.1(3) . 2_797 ?
C10 N2 Co1 121.7(2) . 2_797 ?
C23 N3 C22 106.5(3) . . ?
C23 N3 Co2 127.0(2) . . ?
C22 N3 Co2 126.1(2) . . ?
C23 N4 C21 107.4(3) . . ?
C23 N4 C17 125.4(3) . . ?
C21 N4 C17 127.0(3) . . ?
C27 N5 C25 105.7(3) . . ?
C27 N5 Co2 123.7(2) . . ?
C25 N5 Co2 129.6(3) . . ?
C27 N6 C26 106.1(3) . . ?
C27 N6 C28 126.2(3) . . ?
C26 N6 C28 127.6(3) . . ?
C42 N7 C40 107.5(3) . . ?
C42 N7 C37 123.5(3) . . ?
C40 N7 C37 129.0(3) . . ?
C42 N8 C41 105.6(3) . . ?
C42 N8 Co1 123.2(2) . 2_786 ?
C41 N8 Co1 131.1(2) . 2_786 ?
C6 C1 C2 119.2(3) . . ?
C6 C1 C7 121.4(2) . . ?
C2 C1 C7 119.3(3) . . ?
C1 C2 C3 121.2(3) . . ?
C1 C2 H2B 119.4 . . ?
C3 C2 H2B 119.4 . . ?
C4 C3 C2 119.3(3) . . ?
C4 C3 C8 122.4(3) . . ?
C2 C3 C8 118.3(3) . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 H4A 120.3 . . ?
C3 C4 H4A 120.3 . . ?
C6 C5 C4 120.8(3) . . ?
C6 C5 N1 117.2(3) . . ?
C4 C5 N1 122.0(3) . . ?
C1 C6 C5 120.1(3) . . ?
C1 C6 H6A 120.0 . . ?
C5 C6 H6A 120.0 . . ?
O2 C7 O1 122.7(3) . . ?
O2 C7 C1 120.2(3) . . ?
O1 C7 C1 117.1(3) . . ?
O3 C8 O4 123.0(3) . . ?
O3 C8 C3 119.5(3) . . ?
O4 C8 C3 117.5(3) . . ?
C10 C9 N1 106.6(4) . . ?
C10 C9 H9A 126.7 . . ?
N1 C9 H9A 126.7 . . ?
C9 C10 N2 109.6(4) . . ?
C9 C10 H10A 125.2 . . ?
N2 C10 H10A 125.2 . . ?
N2 C11 N1 111.4(3) . . ?
N2 C11 C12 124.9(3) . . ?
N1 C11 C12 123.6(3) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 119.5(3) . . ?
C18 C13 C20 120.4(2) . . ?
C14 C13 C20 120.0(3) . . ?
C15 C14 C13 120.4(3) . . ?
C15 C14 H14A 119.8 . . ?
C13 C14 H14A 119.8 . . ?
C14 C15 C16 119.8(2) . . ?
C14 C15 C19 119.9(3) . . ?
C16 C15 C19 120.1(3) . . ?
C15 C16 C17 119.5(3) . . ?
C15 C16 H16A 120.3 . . ?
C17 C16 H16A 120.3 . . ?
C18 C17 C16 120.6(3) . . ?
C18 C17 N4 120.1(2) . . ?
C16 C17 N4 119.2(3) . . ?
C13 C18 C17 120.1(3) . . ?
C13 C18 H18A 120.0 . . ?
C17 C18 H18A 120.0 . . ?
O6 C19 O5 123.0(3) . . ?
O6 C19 C15 120.0(3) . . ?
O5 C19 C15 117.0(3) . . ?
O7 C20 O8 123.3(3) . . ?
O7 C20 C13 119.4(3) . . ?
O8 C20 C13 117.2(3) . . ?
C22 C21 N4 106.3(3) . . ?
C22 C21 H21A 126.8 . . ?
N4 C21 H21A 126.8 . . ?
C21 C22 N3 109.9(3) . . ?
C21 C22 H22A 125.1 . . ?
N3 C22 H22A 125.1 . . ?
N3 C23 N4 109.9(3) . . ?
N3 C23 C24 125.5(3) . . ?
N4 C23 C24 124.5(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 N5 109.4(3) . . ?
C26 C25 H25A 125.3 . . ?
N5 C25 H25A 125.3 . . ?
C25 C26 N6 106.8(3) . . ?
C25 C26 H26A 126.6 . . ?
N6 C26 H26A 126.6 . . ?
N5 C27 N6 112.0(3) . . ?
N5 C27 H27A 124.0 . . ?
N6 C27 H27A 124.0 . . ?
C33 C28 C29 119.1(4) . . ?
C33 C28 N6 120.7(3) . . ?
C29 C28 N6 120.2(3) . . ?
C30 C29 C28 120.2(3) . . ?
C30 C29 H29A 119.9 . . ?
C28 C29 H29A 119.9 . . ?
C31 C30 C29 120.8(3) . . ?
C31 C30 H30A 119.6 . . ?
C29 C30 H30A 119.6 . . ?
C30 C31 C32 119.8(4) . . ?
C30 C31 O9 116.8(3) . . ?
C32 C31 O9 123.4(3) . . ?
C31 C32 C33 119.1(3) . . ?
C31 C32 H32A 120.4 . . ?
C33 C32 H32A 120.4 . . ?
C28 C33 C32 120.9(3) . . ?
C28 C33 H33A 119.6 . . ?
C32 C33 H33A 119.6 . . ?
C39 C34 C35 120.9(3) . . ?
C39 C34 O9 119.9(4) . . ?
C35 C34 O9 119.2(3) . . ?
C34 C35 C36 119.4(3) . . ?
C34 C35 H35A 120.3 . . ?
C36 C35 H35A 120.3 . . ?
C37 C36 C35 120.0(3) . . ?
C37 C36 H36A 120.0 . . ?
C35 C36 H36A 120.0 . . ?
C36 C37 C38 119.3(3) . . ?
C36 C37 N7 120.7(3) . . ?
C38 C37 N7 119.9(3) . . ?
C37 C38 C39 121.0(4) . . ?
C37 C38 H38A 119.5 . . ?
C39 C38 H38A 119.5 . . ?
C34 C39 C38 118.8(4) . . ?
C34 C39 H39A 120.6 . . ?
C38 C39 H39A 120.6 . . ?
C41 C40 N7 105.3(3) . . ?
C41 C40 H40A 127.4 . . ?
N7 C40 H40A 127.4 . . ?
C40 C41 N8 110.3(3) . . ?
C40 C41 H41A 124.8 . . ?
N8 C41 H41A 124.8 . . ?
N8 C42 N7 111.3(3) . . ?
N8 C42 H42A 124.4 . . ?
N7 C42 H42A 124.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O8 1.993(2) . ?
Co1 O5 2.0088(19) 1_655 ?
Co1 N8 2.030(3) 2_786 ?
Co1 N2 2.037(3) 2_797 ?
Co2 O1 1.986(2) 1_655 ?
Co2 O4 2.002(2) . ?
Co2 N5 2.008(3) . ?
Co2 N3 2.027(3) . ?
O1 C7 1.273(3) . ?
O2 C7 1.228(3) . ?
O3 C8 1.233(4) . ?
O4 C8 1.278(3) . ?
O5 C19 1.276(4) . ?
O6 C19 1.231(4) . ?
O7 C20 1.233(4) . ?
O8 C20 1.271(3) . ?
O9 C31 1.387(4) . ?
O9 C34 1.408(4) . ?
N1 C11 1.345(4) . ?
N1 C9 1.375(5) . ?
N1 C5 1.440(4) . ?
N2 C11 1.311(4) . ?
N2 C10 1.385(5) . ?
N3 C23 1.311(4) . ?
N3 C22 1.374(4) . ?
N4 C23 1.364(4) . ?
N4 C21 1.366(4) . ?
N4 C17 1.433(4) . ?
N5 C27 1.313(4) . ?
N5 C25 1.374(4) . ?
N6 C27 1.337(4) . ?
N6 C26 1.383(5) . ?
N6 C28 1.426(4) . ?
N7 C42 1.343(4) . ?
N7 C40 1.371(4) . ?
N7 C37 1.432(4) . ?
N8 C42 1.309(4) . ?
N8 C41 1.366(4) . ?
C1 C6 1.378(4) . ?
C1 C2 1.381(4) . ?
C1 C7 1.508(4) . ?
C2 C3 1.390(4) . ?
C2 H2B 0.9300 . ?
C3 C4 1.387(4) . ?
C3 C8 1.505(4) . ?
C4 C5 1.386(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.383(4) . ?
C6 H6A 0.9300 . ?
C9 C10 1.338(5) . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 C12 1.482(5) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C18 1.377(4) . ?
C13 C14 1.392(4) . ?
C13 C20 1.501(4) . ?
C14 C15 1.384(4) . ?
C14 H14A 0.9300 . ?
C15 C16 1.386(4) . ?
C15 C19 1.514(4) . ?
C16 C17 1.385(4) . ?
C16 H16A 0.9300 . ?
C17 C18 1.381(4) . ?
C18 H18A 0.9300 . ?
C21 C22 1.340(5) . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
C23 C24 1.484(4) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.339(5) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C28 C33 1.374(5) . ?
C28 C29 1.373(5) . ?
C29 C30 1.373(5) . ?
C29 H29A 0.9300 . ?
C30 C31 1.363(5) . ?
C30 H30A 0.9300 . ?
C31 C32 1.381(5) . ?
C32 C33 1.385(5) . ?
C32 H32A 0.9300 . ?
C33 H33A 0.9300 . ?
C34 C39 1.342(5) . ?
C34 C35 1.351(5) . ?
C35 C36 1.392(5) . ?
C35 H35A 0.9300 . ?
C36 C37 1.347(4) . ?
C36 H36A 0.9300 . ?
C37 C38 1.355(5) . ?
C38 C39 1.386(5) . ?
C38 H38A 0.9300 . ?
C39 H39A 0.9300 . ?
C40 C41 1.352(5) . ?
C40 H40A 0.9300 . ?
C41 H41A 0.9300 . ?
C42 H42A 0.9300 . ?
