#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:26:52 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224504 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/07/7700781.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_7700781
loop_
_publ_author_name
'Yang, Ming-Xing'
'Chen, Li-Juan'
'Ma, Rong'
'Cai, Jian-Nan'
'Shi, Yuan-De'
'Lin, Shen'
_publ_section_title
;
 Three 3D Co(ii) cluster-based MOFs constructed from polycarboxylate acids
 and bis(imidazole) ligands and their derivatives: magnetic properties and
 catalytic performance for the ORR.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13369
_journal_page_last               13377
_journal_paper_doi               10.1039/c9dt02278c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C80 H62 Co5 N8 O22'
_chemical_formula_sum            'C80 H62 Co5 N8 O22'
_chemical_formula_weight         1782.02
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-07-14 deposited with the CCDC.    2019-08-09 downloaded from the CCDC.
;
_cell_angle_alpha                93.156(2)
_cell_angle_beta                 107.051(3)
_cell_angle_gamma                96.782(4)
_cell_formula_units_Z            1
_cell_length_a                   11.560(3)
_cell_length_b                   13.891(3)
_cell_length_c                   14.765(4)
_cell_measurement_reflns_used    6391
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.489
_cell_measurement_theta_min      2.54
_cell_volume                     2240.8(10)
_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      173(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.985
_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  0.0512
_diffrn_reflns_av_unetI/netI     0.0807
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21328
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.489
_diffrn_reflns_theta_min         3.177
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.976
_exptl_absorpt_correction_T_max  0.907
_exptl_absorpt_correction_T_min  0.879
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2002)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_description       column
_exptl_crystal_F_000             909
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.839
_refine_diff_density_min         -0.635
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     520
_refine_ls_number_reflns         10125
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0409
_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)+(0.0350P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1068
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6351
_reflns_number_total             10125
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt02278c2.cif
_cod_data_source_block           C80H62Co5N8O22
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7700779--7700781.cif.
;
_cod_original_cell_volume        2240.8(9)
_cod_database_code               7700781
_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
Co1 Co 0.500000 0.000000 0.000000 0.02738(12) Uani 1 2 d S . P
Co2 Co 0.43206(3) 0.19768(2) 0.07355(2) 0.02632(10) Uani 1 1 d . . .
Co3 Co 0.70813(3) 0.21037(2) 0.02860(3) 0.03360(11) Uani 1 1 d . . .
O1 O 1.16607(17) -0.12067(15) -0.05893(15) 0.0499(5) Uani 1 1 d . . .
O2 O 1.1505(2) -0.17362(17) -0.20523(17) 0.0712(7) Uani 1 1 d . . .
O3 O 0.69912(18) 0.23302(13) -0.10261(13) 0.0439(5) Uani 1 1 d . . .
O4 O 0.69000(18) 0.08485(13) -0.17476(13) 0.0423(5) Uani 1 1 d . . .
O5 O 0.57444(17) -0.05296(12) 0.12474(12) 0.0389(5) Uani 1 1 d . . .
O6 O 0.63141(17) -0.18931(12) 0.07517(11) 0.0349(4) Uani 1 1 d . . .
O7 O 0.52093(17) -0.66060(12) 0.08476(13) 0.0387(5) Uani 1 1 d . . .
O8 O 0.71198(19) -0.65504(13) 0.07627(15) 0.0485(5) Uani 1 1 d . . .
O9 O 0.34707(16) 0.03353(12) 0.05290(13) 0.0311(4) Uani 1 1 d D . .
H9B H 0.2766(12) 0.0241(19) 0.0181(15) 0.047 Uiso 1 1 d D U .
H9C H 0.358(2) 0.0017(17) 0.1010(12) 0.047 Uiso 1 1 d D U .
O10 O 0.58215(15) 0.13324(11) 0.06901(12) 0.0278(4) Uani 1 1 d D . .
H10 H 0.623(2) 0.1232(18) 0.1209(10) 0.033 Uiso 1 1 d D U .
N1 N 0.27052(19) 0.24665(15) 0.07473(16) 0.0347(5) Uani 1 1 d . . .
N2 N 0.1294(2) 0.34295(16) 0.05149(18) 0.0430(6) Uani 1 1 d . . .
N3 N 0.5234(2) 0.12541(17) 0.36205(16) 0.0501(7) Uani 1 1 d . . .
N4 N 0.4918(2) 0.18619(15) 0.22359(15) 0.0374(6) Uani 1 1 d . . .
C1 C 1.0443(3) -0.0420(2) -0.1832(2) 0.0399(7) Uani 1 1 d . . .
C2 C 1.0326(3) 0.0321(2) -0.1209(2) 0.0483(8) Uani 1 1 d . . .
H2A H 1.072555 0.032486 -0.054659 0.058 Uiso 1 1 calc R U .
C3 C 0.9646(3) 0.1049(2) -0.1528(2) 0.0480(8) Uani 1 1 d . . .
H3A H 0.959559 0.155399 -0.108619 0.058 Uiso 1 1 calc R U .
C4 C 0.9037(2) 0.1057(2) -0.2481(2) 0.0391(7) Uani 1 1 d . . .
C5 C 0.9128(3) 0.0306(2) -0.3109(2) 0.0592(9) Uani 1 1 d . . .
H5A H 0.870697 0.028893 -0.376800 0.071 Uiso 1 1 calc R U .
C6 C 0.9826(3) -0.0417(2) -0.2781(2) 0.0599(9) Uani 1 1 d . . .
H6A H 0.988150 -0.092143 -0.322102 0.072 Uiso 1 1 calc R U .
C7 C 0.8369(3) 0.1880(2) -0.28434(19) 0.0389(7) Uani 1 1 d . . .
C8 C 0.7537(2) 0.22440(18) -0.24390(18) 0.0341(6) Uani 1 1 d . . .
C9 C 0.7029(3) 0.3070(2) -0.2771(2) 0.0506(8) Uani 1 1 d . . .
H9A H 0.647483 0.332541 -0.248949 0.061 Uiso 1 1 calc R U .
C10 C 0.7320(3) 0.3519(2) -0.3498(2) 0.0629(10) Uani 1 1 d . . .
H10A H 0.696402 0.407732 -0.371856 0.076 Uiso 1 1 calc R U .
C11 C 0.8134(3) 0.3154(2) -0.3910(2) 0.0608(9) Uani 1 1 d . . .
H11A H 0.833262 0.345562 -0.441709 0.073 Uiso 1 1 calc R U .
C12 C 0.8650(3) 0.2353(2) -0.3575(2) 0.0515(8) Uani 1 1 d . . .
H12A H 0.921709 0.211254 -0.385213 0.062 Uiso 1 1 calc R U .
C13 C 1.1241(3) -0.1183(2) -0.1500(2) 0.0450(7) Uani 1 1 d . . .
C14 C 0.7120(2) 0.17557(19) -0.16826(19) 0.0344(6) Uani 1 1 d . . .
C15 C 0.6548(2) -0.51162(17) 0.13251(18) 0.0310(6) Uani 1 1 d . . .
C16 C 0.7748(3) -0.46830(18) 0.1690(2) 0.0415(7) Uani 1 1 d . . .
H16A H 0.838949 -0.503522 0.164673 0.050 Uiso 1 1 calc R U .
C17 C 0.8023(3) -0.37346(19) 0.2119(2) 0.0429(7) Uani 1 1 d . . .
H17A H 0.885244 -0.345128 0.238704 0.051 Uiso 1 1 calc R U .
C18 C 0.7101(2) -0.31977(17) 0.21596(18) 0.0323(6) Uani 1 1 d . . .
C19 C 0.5897(2) -0.36222(18) 0.17528(19) 0.0350(6) Uani 1 1 d . . .
H19A H 0.525396 -0.325485 0.175177 0.042 Uiso 1 1 calc R U .
C20 C 0.5625(3) -0.45725(18) 0.13498(19) 0.0363(6) Uani 1 1 d . . .
H20A H 0.479502 -0.485772 0.108622 0.044 Uiso 1 1 calc R U .
C21 C 0.7420(2) -0.22241(17) 0.27345(18) 0.0334(6) Uani 1 1 d . . .
C22 C 0.8153(3) -0.2191(2) 0.36773(19) 0.0492(8) Uani 1 1 d . . .
H22A H 0.846625 -0.276313 0.390549 0.059 Uiso 1 1 calc R U .
C23 C 0.8433(3) -0.1354(2) 0.4283(2) 0.0618(10) Uani 1 1 d . . .
H23A H 0.893117 -0.135438 0.492176 0.074 Uiso 1 1 calc R U .
C24 C 0.7995(3) -0.0519(2) 0.3970(2) 0.0584(9) Uani 1 1 d . . .
H24A H 0.818087 0.005926 0.438940 0.070 Uiso 1 1 calc R U .
C25 C 0.7282(3) -0.05283(19) 0.3038(2) 0.0449(7) Uani 1 1 d . . .
H25A H 0.698138 0.005230 0.282197 0.054 Uiso 1 1 calc R U .
C26 C 0.6990(2) -0.13655(17) 0.24053(17) 0.0294(6) Uani 1 1 d . . .
C27 C 0.6255(3) -0.61733(17) 0.09428(17) 0.0306(6) Uani 1 1 d . . .
C28 C 0.6298(2) -0.12727(17) 0.13959(18) 0.0300(6) Uani 1 1 d . . .
C29 C 0.5982(4) 0.2330(3) 0.2836(3) 0.0944(16) Uani 1 1 d . . .
H29A H 0.648537 0.285006 0.268806 0.113 Uiso 1 1 calc R U .
C30 C 0.6219(4) 0.1941(3) 0.3683(3) 0.0985(17) Uani 1 1 d . . .
H30A H 0.692795 0.210999 0.421641 0.118 Uiso 1 1 calc R U .
C31 C 0.4586(3) 0.11940(19) 0.27249(19) 0.0437(7) Uani 1 1 d . . .
H31A H 0.391704 0.069441 0.245071 0.052 Uiso 1 1 calc R U .
C32 C 0.5119(3) 0.0615(2) 0.43258(19) 0.0434(7) Uani 1 1 d . . .
C33 C 0.4570(3) -0.0322(2) 0.4055(2) 0.0678(11) Uani 1 1 d . . .
H33A H 0.426998 -0.054914 0.339818 0.081 Uiso 1 1 calc R U .
C34 C 0.5553(3) 0.0942(2) 0.5270(2) 0.0607(10) Uani 1 1 d . . .
H34A H 0.593837 0.159503 0.546032 0.073 Uiso 1 1 calc R U .
C35 C 0.1797(3) 0.2073(2) 0.1090(3) 0.0649(11) Uani 1 1 d . . .
H35A H 0.178022 0.147818 0.137712 0.078 Uiso 1 1 calc R U .
C36 C 0.0931(3) 0.2661(3) 0.0955(3) 0.0824(14) Uani 1 1 d . . .
H36A H 0.020237 0.256183 0.113207 0.099 Uiso 1 1 calc R U .
C37 C 0.2365(3) 0.3282(2) 0.0404(2) 0.0404(7) Uani 1 1 d . . .
H37A H 0.282540 0.370879 0.011532 0.048 Uiso 1 1 calc R U .
C38 C 0.0642(2) 0.42377(19) 0.0247(2) 0.0397(7) Uani 1 1 d . . .
C39 C 0.1235(3) 0.5165(2) 0.0471(3) 0.0584(9) Uani 1 1 d . . .
H39A H 0.208747 0.528118 0.079341 0.070 Uiso 1 1 calc R U .
C40 C -0.0585(3) 0.4056(2) -0.0224(3) 0.0593(10) Uani 1 1 d . . .
H40A H -0.098906 0.340542 -0.038158 0.071 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
O5 Co1 O5 180.0 2_655 .
O5 Co1 O10 94.33(7) 2_655 .
O5 Co1 O10 85.67(7) . .
O5 Co1 O10 85.67(7) 2_655 2_655
O5 Co1 O10 94.33(7) . 2_655
O10 Co1 O10 180.0 . 2_655
O5 Co1 O9 88.51(7) 2_655 2_655
O5 Co1 O9 91.49(7) . 2_655
O10 Co1 O9 96.57(7) . 2_655
O10 Co1 O9 83.43(7) 2_655 2_655
O5 Co1 O9 91.49(7) 2_655 .
O5 Co1 O9 88.51(7) . .
O10 Co1 O9 83.43(7) . .
O10 Co1 O9 96.57(7) 2_655 .
O9 Co1 O9 180.0 2_655 .
O10 Co2 N1 173.52(7) . .
O10 Co2 O7 94.47(7) . 1_565
N1 Co2 O7 91.96(8) . 1_565
O10 Co2 O6 91.09(7) . 2_655
N1 Co2 O6 87.75(8) . 2_655
O7 Co2 O6 92.96(7) 1_565 2_655
O10 Co2 N4 86.19(8) . .
N1 Co2 N4 94.19(9) . .
O7 Co2 N4 94.10(8) 1_565 .
O6 Co2 N4 172.61(7) 2_655 .
O10 Co2 O9 80.05(6) . .
N1 Co2 O9 93.49(7) . .
O7 Co2 O9 173.90(7) 1_565 .
O6 Co2 O9 84.51(6) 2_655 .
N4 Co2 O9 88.25(7) . .
O8 Co3 O3 97.90(8) 1_565 .
O8 Co3 O10 105.90(8) 1_565 .
O3 Co3 O10 125.71(8) . .
O8 Co3 O1 131.29(9) 1_565 2_755
O3 Co3 O1 101.57(9) . 2_755
O10 Co3 O1 97.97(8) . 2_755
C13 O1 Co3 110.0(2) . 2_755
C14 O3 Co3 129.41(18) . .
C28 O5 Co1 128.30(17) . .
C28 O6 Co2 133.25(16) . 2_655
C27 O7 Co2 139.23(17) . 1_545
C27 O8 Co3 127.15(17) . 1_545
Co1 O9 Co2 87.93(6) . .
Co1 O9 H9B 121(2) . .
Co2 O9 H9B 112.6(18) . .
Co1 O9 H9C 101.7(18) . .
Co2 O9 H9C 118.8(18) . .
H9B O9 H9C 112.7(16) . .
Co3 O10 Co1 120.83(9) . .
Co3 O10 Co2 117.27(8) . .
Co1 O10 Co2 100.94(7) . .
Co3 O10 H10 99.3(19) . .
Co1 O10 H10 106.2(18) . .
Co2 O10 H10 112.1(19) . .
C37 N1 C35 105.8(2) . .
C37 N1 Co2 123.82(19) . .
C35 N1 Co2 130.32(18) . .
C37 N2 C36 106.6(2) . .
C37 N2 C38 127.6(2) . .
C36 N2 C38 125.8(2) . .
C31 N3 C30 103.8(3) . .
C31 N3 C32 128.6(2) . .
C30 N3 C32 126.3(3) . .
C31 N4 C29 103.6(3) . .
C31 N4 Co2 129.74(18) . .
C29 N4 Co2 124.3(2) . .
C6 C1 C2 117.7(3) . .
C6 C1 C13 120.4(3) . .
C2 C1 C13 121.9(3) . .
C3 C2 C1 121.4(3) . .
C3 C2 H2A 119.3 . .
C1 C2 H2A 119.3 . .
C2 C3 C4 120.9(3) . .
C2 C3 H3A 119.6 . .
C4 C3 H3A 119.6 . .
C3 C4 C5 118.1(3) . .
C3 C4 C7 121.2(3) . .
C5 C4 C7 120.6(3) . .
C6 C5 C4 120.6(3) . .
C6 C5 H5A 119.7 . .
C4 C5 H5A 119.7 . .
C1 C6 C5 121.4(3) . .
C1 C6 H6A 119.3 . .
C5 C6 H6A 119.3 . .
C12 C7 C8 118.3(3) . .
C12 C7 C4 118.4(3) . .
C8 C7 C4 123.1(3) . .
C9 C8 C7 119.3(3) . .
C9 C8 C14 118.1(3) . .
C7 C8 C14 122.5(2) . .
C10 C9 C8 121.0(3) . .
C10 C9 H9A 119.5 . .
C8 C9 H9A 119.5 . .
C9 C10 C11 119.9(3) . .
C9 C10 H10A 120.0 . .
C11 C10 H10A 120.0 . .
C12 C11 C10 119.3(3) . .
C12 C11 H11A 120.4 . .
C10 C11 H11A 120.4 . .
C11 C12 C7 122.1(3) . .
C11 C12 H12A 118.9 . .
C7 C12 H12A 118.9 . .
O2 C13 O1 121.7(3) . .
O2 C13 C1 122.1(3) . .
O1 C13 C1 116.2(3) . .
O4 C14 O3 125.3(3) . .
O4 C14 C8 119.4(2) . .
O3 C14 C8 115.3(2) . .
C16 C15 C20 118.9(2) . .
C16 C15 C27 120.3(2) . .
C20 C15 C27 120.8(2) . .
C15 C16 C17 120.3(3) . .
C15 C16 H16A 119.8 . .
C17 C16 H16A 119.8 . .
C18 C17 C16 120.7(3) . .
C18 C17 H17A 119.6 . .
C16 C17 H17A 119.6 . .
C17 C18 C19 118.6(2) . .
C17 C18 C21 119.5(2) . .
C19 C18 C21 121.5(2) . .
C20 C19 C18 120.6(2) . .
C20 C19 H19A 119.7 . .
C18 C19 H19A 119.7 . .
C19 C20 C15 120.7(2) . .
C19 C20 H20A 119.6 . .
C15 C20 H20A 119.6 . .
C22 C21 C26 118.2(2) . .
C22 C21 C18 117.0(2) . .
C26 C21 C18 124.7(2) . .
C23 C22 C21 121.8(3) . .
C23 C22 H22A 119.1 . .
C21 C22 H22A 119.1 . .
C24 C23 C22 120.2(3) . .
C24 C23 H23A 119.9 . .
C22 C23 H23A 119.9 . .
C23 C24 C25 119.2(3) . .
C23 C24 H24A 120.4 . .
C25 C24 H24A 120.4 . .
C24 C25 C26 121.8(3) . .
C24 C25 H25A 119.1 . .
C26 C25 H25A 119.1 . .
C25 C26 C21 118.7(2) . .
C25 C26 C28 117.3(2) . .
C21 C26 C28 123.9(2) . .
O7 C27 O8 125.7(2) . .
O7 C27 C15 118.4(2) . .
O8 C27 C15 115.9(2) . .
O6 C28 O5 124.1(2) . .
O6 C28 C26 119.9(2) . .
O5 C28 C26 116.1(2) . .
N4 C29 C30 109.5(3) . .
N4 C29 H29A 125.3 . .
C30 C29 H29A 125.3 . .
C29 C30 N3 106.6(3) . .
C29 C30 H30A 126.7 . .
N3 C30 H30A 126.7 . .
N4 C31 N3 115.5(3) . .
N4 C31 H31A 122.2 . .
N3 C31 H31A 122.2 . .
C33 C32 C34 120.0(3) . .
C33 C32 N3 119.8(2) . .
C34 C32 N3 120.2(3) . .
C32 C33 C34 120.2(3) . 2_656
C32 C33 H33A 119.9 . .
C34 C33 H33A 119.9 2_656 .
C32 C34 C33 119.8(3) . 2_656
C32 C34 H34A 120.1 . .
C33 C34 H34A 120.1 2_656 .
C36 C35 N1 109.1(3) . .
C36 C35 H35A 125.5 . .
N1 C35 H35A 125.5 . .
C35 C36 N2 107.2(3) . .
C35 C36 H36A 126.4 . .
N2 C36 H36A 126.4 . .
N1 C37 N2 111.4(2) . .
N1 C37 H37A 124.3 . .
N2 C37 H37A 124.3 . .
C39 C38 C40 121.0(3) . .
C39 C38 N2 120.2(3) . .
C40 C38 N2 118.8(2) . .
C38 C39 C40 119.6(3) . 2_565
C38 C39 H39A 120.2 . .
C40 C39 H39A 120.2 2_565 .
C38 C40 C39 119.4(3) . 2_565
C38 C40 H40A 120.3 . .
C39 C40 H40A 120.3 2_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O5 2.0108(17) 2_655
Co1 O5 2.0108(17) .
Co1 O10 2.0434(16) .
Co1 O10 2.0434(16) 2_655
Co1 O9 2.2172(19) 2_655
Co1 O9 2.2173(19) .
Co2 O10 2.0602(18) .
Co2 N1 2.066(2) .
Co2 O7 2.0845(17) 1_565
Co2 O6 2.0930(17) 2_655
Co2 N4 2.140(2) .
Co2 O9 2.3401(17) .
Co3 O8 1.9520(18) 1_565
Co3 O3 1.9544(19) .
Co3 O10 1.9586(18) .
Co3 O1 1.994(2) 2_755
O1 C13 1.292(3) .
O2 C13 1.217(4) .
O3 C14 1.275(3) .
O4 C14 1.249(3) .
O5 C28 1.273(3) .
O6 C28 1.254(3) .
O7 C27 1.249(3) .
O8 C27 1.269(3) .
O9 H9B 0.816(9) .
O9 H9C 0.844(9) .
O10 H10 0.801(10) .
N1 C37 1.322(3) .
N1 C35 1.365(4) .
N2 C37 1.333(3) .
N2 C36 1.367(4) .
N2 C38 1.435(3) .
N3 C31 1.307(3) .
N3 C30 1.373(4) .
N3 C32 1.430(3) .
N4 C31 1.297(3) .
N4 C29 1.352(4) .
C1 C6 1.374(4) .
C1 C2 1.388(4) .
C1 C13 1.496(4) .
C2 C3 1.373(4) .
C2 H2A 0.9500 .
C3 C4 1.379(4) .
C3 H3A 0.9500 .
C4 C5 1.391(4) .
C4 C7 1.491(4) .
C5 C6 1.381(4) .
C5 H5A 0.9500 .
C6 H6A 0.9500 .
C7 C12 1.392(4) .
C7 C8 1.398(4) .
C8 C9 1.398(4) .
C8 C14 1.504(4) .
C9 C10 1.375(4) .
C9 H9A 0.9500 .
C10 C11 1.388(5) .
C10 H10A 0.9500 .
C11 C12 1.372(4) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C15 C16 1.380(4) .
C15 C20 1.386(4) .
C15 C27 1.506(3) .
C16 C17 1.389(3) .
C16 H16A 0.9500 .
C17 C18 1.384(4) .
C17 H17A 0.9500 .
C18 C19 1.387(4) .
C18 C21 1.503(3) .
C19 C20 1.379(3) .
C19 H19A 0.9500 .
C20 H20A 0.9500 .
C21 C22 1.396(4) .
C21 C26 1.403(3) .
C22 C23 1.372(4) .
C22 H22A 0.9500 .
C23 C24 1.369(4) .
C23 H23A 0.9500 .
C24 C25 1.380(4) .
C24 H24A 0.9500 .
C25 C26 1.394(3) .
C25 H25A 0.9500 .
C26 C28 1.491(3) .
C29 C30 1.356(5) .
C29 H29A 0.9500 .
C30 H30A 0.9500 .
C31 H31A 0.9500 .
C32 C33 1.362(4) .
C32 C34 1.366(4) .
C33 C34 1.382(4) 2_656
C33 H33A 0.9500 .
C34 H34A 0.9500 .
C35 C36 1.343(4) .
C35 H35A 0.9500 .
C36 H36A 0.9500 .
C37 H37A 0.9500 .
C38 C39 1.360(4) .
C38 C40 1.370(4) .
C39 C40 1.394(4) 2_565
C39 H39A 0.9500 .
C40 H40A 0.9500 .
