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#$Date: 2022-09-13 11:47:45 +0300 (Tue, 13 Sep 2022) $
#$Revision: 277799 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/57/8105762.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_8105762
loop_
_publ_author_name
'Cuihong, Zhang'
'Yuan, Ge'
'Xiaoping, Huo'
'Liguo, Yang'
'Xin, Li'
'Zongcheng, Miao'
_publ_section_title
;
 Crystal structure of tetramethylammonium
 (2-(3-ethoxy-2-oxidobenzylidene)-1-(2-hydroxybenzoyl)hydrazin-1-ido-κ3
 N,N′,O)cobalt(III), C36H40N5O8Co
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              505
_journal_page_last               507
_journal_paper_doi               10.1515/ncrs-2018-0497
_journal_volume                  234
_journal_year                    2019
_chemical_formula_sum            'C36 H40 Co N5 O8'
_chemical_formula_weight         729.66
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 101.056(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.353(4)
_cell_length_b                   11.474(2)
_cell_length_c                   18.074(4)
_cell_measurement_reflns_used    7353
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.69
_cell_measurement_theta_min      2.97
_cell_volume                     3531.9(13)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0408
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33219
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.500
_diffrn_reflns_theta_min         4.195
_exptl_absorpt_coefficient_mu    0.544
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.466
_refine_diff_density_min         -0.461
_refine_diff_density_rms         0.053
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         7286
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0574P)²+2.5708P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1168
_refine_ls_wR_factor_ref         0.1323
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5421
_reflns_number_total             7286
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2018-0497_suppl.cif
_cod_data_source_block           123_a
_cod_original_cell_volume        3532.0(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8105762
_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   0.686
_shelx_estimated_absorpt_t_max   0.746
loop_
_space_group_symop_operation_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_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 0.24045(2) 0.25721(3) 0.57882(2) 0.03228(12) Uani 1 1 d . . . . .
N1 N 0.27353(12) 0.48825(18) 0.61118(12) 0.0384(5) Uani 1 1 d . . . . .
O1 O 0.24994(14) 0.70445(19) 0.63845(14) 0.0668(6) Uani 1 1 d . . . . .
H1 H 0.2725 0.6413 0.6434 0.100 Uiso 1 1 calc R U . . .
C1 C -0.02061(17) 0.0614(3) 0.75505(17) 0.0553(8) Uani 1 1 d . . . . .
H1A H -0.0584 0.0030 0.7510 0.066 Uiso 1 1 calc R U . . .
O2 O 0.00632(14) 0.0043(2) 0.63735(12) 0.0659(6) Uani 1 1 d . . . . .
H2 H 0.0329 0.0236 0.6065 0.099 Uiso 1 1 calc R U . . .
N2 N 0.30763(11) 0.37843(18) 0.62017(11) 0.0347(5) Uani 1 1 d . . . . .
C2 C -0.00747(18) 0.1320(3) 0.81745(18) 0.0615(8) Uani 1 1 d . . . . .
H2A H -0.0368 0.1215 0.8550 0.074 Uiso 1 1 calc R U . . .
O3 O 0.18907(10) 0.24943(14) 0.66318(9) 0.0368(4) Uani 1 1 d . . . . .
N3 N 0.11436(12) 0.11507(18) 0.58660(11) 0.0369(5) Uani 1 1 d . . . . .
C3 C 0.0489(2) 0.2184(3) 0.82504(19) 0.0659(9) Uani 1 1 d . . . . .
H3 H 0.0572 0.2666 0.8672 0.079 Uiso 1 1 calc R U . . .
O4 O 0.17116(10) 0.38264(14) 0.54242(9) 0.0373(4) Uani 1 1 d . . . . .
N4 N 0.16744(11) 0.14182(17) 0.54015(11) 0.0335(4) Uani 1 1 d . . . . .
C4 C 0.09257(18) 0.2325(3) 0.76988(17) 0.0510(7) Uani 1 1 d . . . . .
H4 H 0.1308 0.2903 0.7754 0.061 Uiso 1 1 calc R U . . .
C5 C 0.08082(14) 0.1619(2) 0.70552(14) 0.0362(5) Uani 1 1 d . . . . .
N5 N 0.23963(17) 0.9136(3) 0.82449(16) 0.0680(8) Uani 1 1 d . . . . .
O5 O 0.30993(10) 0.13781(16) 0.61862(10) 0.0432(4) Uani 1 1 d . . . . .
C6 C 0.02189(16) 0.0762(2) 0.69779(15) 0.0432(6) Uani 1 1 d . . . . .
O6 O 0.28588(11) 0.26709(16) 0.49345(10) 0.0442(4) Uani 1 1 d . . . . .
C7 C 0.13130(14) 0.1775(2) 0.64891(13) 0.0335(5) Uani 1 1 d . . . . .
O7 O 0.40203(14) -0.0588(2) 0.63875(15) 0.0720(7) Uani 1 1 d . . . . .
O8 O 0.36805(16) 0.2996(2) 0.38529(16) 0.0802(8) Uani 1 1 d . . . . .
C8 C 0.16446(16) 0.0828(2) 0.47908(14) 0.0400(6) Uani 1 1 d . . . . .
H8 H 0.1265 0.0248 0.4678 0.048 Uiso 1 1 calc R U . . .
C9 C 0.21680(16) 0.1019(2) 0.42756(13) 0.0427(6) Uani 1 1 d . . . . .
C10 C 0.20912(19) 0.0264(3) 0.36479(15) 0.0545(8) Uani 1 1 d . . . . .
H10 H 0.1732 -0.0346 0.3599 0.065 Uiso 1 1 calc R U . . .
C13 C 0.31704(19) 0.2068(3) 0.37957(16) 0.0559(8) Uani 1 1 d . . . . .
C12 C 0.3072(2) 0.1335(4) 0.31849(17) 0.0674(10) Uani 1 1 d . . . . .
H12 H 0.3368 0.1452 0.2813 0.081 Uiso 1 1 calc R U . . .
C11 C 0.2539(2) 0.0421(4) 0.31121(17) 0.0694(10) Uani 1 1 d . . . . .
H11 H 0.2487 -0.0080 0.2701 0.083 Uiso 1 1 calc R U . . .
C14 C 0.27247(16) 0.1933(2) 0.43720(14) 0.0422(6) Uani 1 1 d . . . . .
C15 C 0.4388(4) 0.2880(7) 0.4152(8) 0.194(7) Uani 0.834(13) 1 d . . P A 1
H15A H 0.4577 0.2187 0.3936 0.233 Uiso 0.834(13) 1 calc R U P A 1
H15B H 0.4407 0.2715 0.4682 0.233 Uiso 0.834(13) 1 calc R U P A 1
C15' C 0.4200(9) 0.2908(18) 0.3388(8) 0.106(15) Uani 0.166(13) 1 d . . P A 2
H15C H 0.4035 0.3299 0.2908 0.127 Uiso 0.166(13) 1 calc DR U P A 2
H15D H 0.4365 0.2115 0.3317 0.127 Uiso 0.166(13) 1 calc R U P A 2
C36 C 0.2924(5) 0.8335(8) 0.8706(5) 0.224(4) Uani 1 1 d . . . . .
H36A H 0.3146 0.7815 0.8388 0.336 Uiso 1 1 calc R U . . .
H36B H 0.2639 0.7893 0.9017 0.336 Uiso 1 1 calc R U . . .
H36C H 0.3336 0.8764 0.9020 0.336 Uiso 1 1 calc R U . . .
C35 C 0.1679(4) 0.8486(6) 0.7889(4) 0.151(2) Uani 1 1 d . . . . .
H35A H 0.1330 0.9000 0.7565 0.227 Uiso 1 1 calc R U . . .
H35B H 0.1421 0.8189 0.8274 0.227 Uiso 1 1 calc R U . . .
H35C H 0.1823 0.7850 0.7599 0.227 Uiso 1 1 calc R U . . .
C34 C 0.2750(3) 0.9649(5) 0.7641(3) 0.1205(18) Uani 1 1 d . . . . .
H34A H 0.2375 1.0151 0.7336 0.181 Uiso 1 1 calc R U . . .
H34B H 0.2899 0.9038 0.7334 0.181 Uiso 1 1 calc R U . . .
H34C H 0.3206 1.0092 0.7860 0.181 Uiso 1 1 calc R U . . .
C33 C 0.2132(4) 1.0072(4) 0.8684(3) 0.136(2) Uani 1 1 d . . . . .
H33A H 0.2579 1.0438 0.8992 0.204 Uiso 1 1 calc R U . . .
H33B H 0.1799 0.9755 0.9001 0.204 Uiso 1 1 calc R U . . .
H33C H 0.1845 1.0638 0.8349 0.204 Uiso 1 1 calc R U . . .
C16 C 0.4953(3) 0.3799(6) 0.4114(4) 0.150(2) Uani 1 1 d . . . . .
H16A H 0.5279 0.3584 0.3763 0.225 Uiso 1 1 calc DR U . A 1
H16B H 0.5274 0.3913 0.4604 0.225 Uiso 1 1 calc R U . A 1
H16C H 0.4680 0.4509 0.3950 0.225 Uiso 1 1 calc DR U . A 1
C17 C 0.3987(3) -0.0599(5) 0.5066(3) 0.1246(19) Uani 1 1 d . . . . .
H17A H 0.4051 0.0229 0.5028 0.187 Uiso 1 1 calc R U . . .
H17B H 0.3702 -0.0895 0.4596 0.187 Uiso 1 1 calc R U . . .
H17C H 0.4494 -0.0964 0.5182 0.187 Uiso 1 1 calc R U . . .
C19 C 0.43366(18) 0.0516(3) 0.65431(17) 0.0557(8) Uani 1 1 d . . . . .
C18 C 0.3573(3) -0.0840(4) 0.5636(3) 0.0901(13) Uani 1 1 d . . . . .
H18A H 0.3425 -0.1656 0.5609 0.108 Uiso 1 1 calc R U . . .
H18B H 0.3094 -0.0382 0.5552 0.108 Uiso 1 1 calc R U . . .
C20 C 0.38539(15) 0.1525(3) 0.64365(14) 0.0443(6) Uani 1 1 d . . . . .
C21 C 0.42262(16) 0.2617(3) 0.66253(16) 0.0467(7) Uani 1 1 d . . . . .
C22 C 0.50355(18) 0.2662(3) 0.6952(2) 0.0662(9) Uani 1 1 d . . . . .
H22 H 0.5270 0.3378 0.7093 0.079 Uiso 1 1 calc R U . . .
C23 C 0.5476(2) 0.1672(4) 0.7064(2) 0.0804(11) Uani 1 1 d . . . . .
H23 H 0.6006 0.1710 0.7284 0.097 Uiso 1 1 calc R U . . .
C24 C 0.5125(2) 0.0599(4) 0.6845(2) 0.0723(10) Uani 1 1 d . . . . .
H24 H 0.5431 -0.0073 0.6904 0.087 Uiso 1 1 calc R U . . .
C25 C 0.38076(14) 0.3702(3) 0.65106(14) 0.0425(6) Uani 1 1 d . . . . .
H25 H 0.4080 0.4384 0.6668 0.051 Uiso 1 1 calc R U . . .
C26 C 0.20202(14) 0.4792(2) 0.56884(13) 0.0347(5) Uani 1 1 d . . . . .
C27 C 0.15713(15) 0.5884(2) 0.55158(14) 0.0384(6) Uani 1 1 d . . . . .
C28 C 0.18269(17) 0.6950(2) 0.58620(16) 0.0476(7) Uani 1 1 d . . . . .
C29 C 0.1373(2) 0.7942(3) 0.5679(2) 0.0628(9) Uani 1 1 d . . . . .
H29 H 0.1542 0.8651 0.5902 0.075 Uiso 1 1 calc R U . . .
C30 C 0.0673(2) 0.7885(3) 0.5170(2) 0.0626(9) Uani 1 1 d . . . . .
H30 H 0.0372 0.8555 0.5057 0.075 Uiso 1 1 calc R U . . .
C31 C 0.04119(18) 0.6846(3) 0.48248(18) 0.0574(8) Uani 1 1 d . . . . .
H31 H -0.0059 0.6815 0.4479 0.069 Uiso 1 1 calc R U . . .
C32 C 0.08590(16) 0.5857(2) 0.49999(16) 0.0463(6) Uani 1 1 d . . . . .
H32 H 0.0683 0.5156 0.4770 0.056 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
O6 Co1 N4 95.57(8) . .
O6 Co1 O5 91.09(8) . .
N4 Co1 O5 88.05(9) . .
O6 Co1 N2 87.46(8) . .
N4 Co1 N2 175.79(8) . .
O5 Co1 N2 94.83(9) . .
O6 Co1 O4 90.41(8) . .
N4 Co1 O4 93.89(8) . .
O5 Co1 O4 177.42(8) . .
N2 Co1 O4 83.15(8) . .
O6 Co1 O3 177.13(8) . .
N4 Co1 O3 83.04(8) . .
O5 Co1 O3 91.37(8) . .
N2 Co1 O3 93.80(8) . .
O4 Co1 O3 87.18(7) . .
C26 N1 N2 109.0(2) . .
C28 O1 H1 109.5 . .
C2 C1 C6 120.8(3) . .
C2 C1 H1A 119.6 . .
C6 C1 H1A 119.6 . .
C6 O2 H2 109.5 . .
C25 N2 N1 118.6(2) . .
C25 N2 Co1 127.15(19) . .
N1 N2 Co1 114.08(15) . .
C1 C2 C3 120.6(3) . .
C1 C2 H2A 119.7 . .
C3 C2 H2A 119.7 . .
C7 O3 Co1 109.58(14) . .
C7 N3 N4 109.25(19) . .
C4 C3 C2 119.5(3) . .
C4 C3 H3 120.3 . .
C2 C3 H3 120.3 . .
C26 O4 Co1 109.40(15) . .
C8 N4 N3 118.5(2) . .
C8 N4 Co1 127.23(18) . .
N3 N4 Co1 114.12(14) . .
C3 C4 C5 121.5(3) . .
C3 C4 H4 119.3 . .
C5 C4 H4 119.3 . .
C4 C5 C6 118.3(2) . .
C4 C5 C7 119.6(2) . .
C6 C5 C7 122.1(2) . .
C36 N5 C33 112.6(5) . .
C36 N5 C34 112.0(4) . .
C33 N5 C34 109.1(4) . .
C36 N5 C35 108.4(5) . .
C33 N5 C35 106.3(4) . .
C34 N5 C35 108.2(4) . .
C20 O5 Co1 124.35(17) . .
O2 C6 C1 118.3(2) . .
O2 C6 C5 122.3(2) . .
C1 C6 C5 119.4(2) . .
C14 O6 Co1 124.23(17) . .
O3 C7 N3 123.9(2) . .
O3 C7 C5 118.7(2) . .
N3 C7 C5 117.4(2) . .
C19 O7 C18 119.2(3) . .
C15 O8 C13 120.9(5) . .
C13 O8 C15' 113.1(7) . .
N4 C8 C9 123.3(2) . .
N4 C8 H8 118.4 . .
C9 C8 H8 118.4 . .
C14 C9 C10 120.7(3) . .
C14 C9 C8 122.4(2) . .
C10 C9 C8 116.9(3) . .
C11 C10 C9 120.6(3) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C12 C13 O8 120.9(3) . .
C12 C13 C14 121.5(3) . .
O8 C13 C14 117.6(3) . .
C13 C12 C11 121.1(3) . .
C13 C12 H12 119.4 . .
C11 C12 H12 119.4 . .
C10 C11 C12 119.5(3) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
O6 C14 C9 126.2(2) . .
O6 C14 C13 117.3(3) . .
C9 C14 C13 116.5(3) . .
O8 C15 C16 121.2(7) . .
O8 C15 H15A 107.0 . .
C16 C15 H15A 107.0 . .
O8 C15 H15B 107.0 . .
C16 C15 H15B 107.0 . .
H15A C15 H15B 106.8 . .
O8 C15' C16 89.1(6) . .
O8 C15' H15C 113.8 . .
C16 C15' H15C 113.8 . .
O8 C15' H15D 113.8 . .
C16 C15' H15D 113.8 . .
H15C C15' H15D 111.0 . .
N5 C36 H36A 109.5 . .
N5 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
N5 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N5 C35 H35A 109.5 . .
N5 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
N5 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
N5 C34 H34A 109.5 . .
N5 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
N5 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N5 C33 H33A 109.5 . .
N5 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
N5 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C24 C19 O7 117.9(3) . .
C24 C19 C20 120.9(3) . .
O7 C19 C20 121.1(3) . .
C17 C18 O7 113.1(4) . .
C17 C18 H18A 109.0 . .
O7 C18 H18A 109.0 . .
C17 C18 H18B 109.0 . .
O7 C18 H18B 109.0 . .
H18A C18 H18B 107.8 . .
O5 C20 C19 117.7(3) . .
O5 C20 C21 125.0(2) . .
C19 C20 C21 117.2(3) . .
C22 C21 C20 120.1(3) . .
C22 C21 C25 117.5(3) . .
C20 C21 C25 122.4(2) . .
C23 C22 C21 121.0(3) . .
C23 C22 H22 119.5 . .
C21 C22 H22 119.5 . .
C22 C23 C24 119.4(3) . .
C22 C23 H23 120.3 . .
C24 C23 H23 120.3 . .
C19 C24 C23 121.3(3) . .
C19 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
N2 C25 C21 123.7(3) . .
N2 C25 H25 118.1 . .
C21 C25 H25 118.1 . .
O4 C26 N1 124.0(2) . .
O4 C26 C27 119.3(2) . .
N1 C26 C27 116.8(2) . .
C32 C27 C28 118.6(2) . .
C32 C27 C26 119.0(2) . .
C28 C27 C26 122.4(2) . .
O1 C28 C29 118.2(3) . .
O1 C28 C27 122.3(3) . .
C29 C28 C27 119.4(3) . .
C30 C29 C28 120.5(3) . .
C30 C29 H29 119.7 . .
C28 C29 H29 119.7 . .
C29 C30 C31 120.9(3) . .
C29 C30 H30 119.5 . .
C31 C30 H30 119.5 . .
C32 C31 C30 119.1(3) . .
C32 C31 H31 120.5 . .
C30 C31 H31 120.5 . .
C31 C32 C27 121.5(3) . .
C31 C32 H32 119.3 . .
C27 C32 H32 119.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O6 1.8659(17) .
Co1 N4 1.873(2) .
Co1 O5 1.8748(18) .
Co1 N2 1.876(2) .
Co1 O4 1.9096(17) .
Co1 O3 1.9104(17) .
N1 C26 1.331(3) .
N1 N2 1.388(3) .
O1 C28 1.357(3) .
O1 H1 0.8200 .
C1 C2 1.371(4) .
C1 C6 1.392(4) .
C1 H1A 0.9300 .
O2 C6 1.354(3) .
O2 H2 0.8200 .
N2 C25 1.288(3) .
C2 C3 1.381(4) .
C2 H2A 0.9300 .
O3 C7 1.286(3) .
N3 C7 1.319(3) .
N3 N4 1.394(3) .
C3 C4 1.373(4) .
C3 H3 0.9300 .
O4 C26 1.282(3) .
N4 C8 1.288(3) .
C4 C5 1.400(4) .
C4 H4 0.9300 .
C5 C6 1.406(3) .
C5 C7 1.480(3) .
N5 C36 1.444(6) .
N5 C33 1.461(5) .
N5 C34 1.473(5) .
N5 C35 1.487(6) .
O5 C20 1.312(3) .
O6 C14 1.309(3) .
O7 C19 1.387(4) .
O7 C18 1.459(5) .
O8 C15 1.250(7) .
O8 C13 1.376(4) .
O8 C15' 1.349(16) .
C8 C9 1.437(4) .
C8 H8 0.9300 .
C9 C14 1.414(4) .
C9 C10 1.413(4) .
C10 C11 1.365(4) .
C10 H10 0.9300 .
C13 C12 1.372(5) .
C13 C14 1.420(4) .
C12 C11 1.388(5) .
C12 H12 0.9300 .
C11 H11 0.9300 .
C15 C16 1.451(9) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15' C16 1.954(8) .
C15' H15C 0.9700 .
C15' H15D 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.391(6) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C19 C24 1.376(4) .
C19 C20 1.421(4) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C20 C21 1.421(4) .
C21 C22 1.416(4) .
C21 C25 1.436(4) .
C22 C23 1.363(5) .
C22 H22 0.9300 .
C23 C24 1.397(5) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C27 1.477(3) .
C27 C32 1.399(4) .
C27 C28 1.406(4) .
C28 C29 1.388(4) .
C29 C30 1.378(5) .
C29 H29 0.9300 .
C30 C31 1.380(5) .
C30 H30 0.9300 .
C31 C32 1.377(4) .
C31 H31 0.9300 .
C32 H32 0.9300 .
