#------------------------------------------------------------------------------
#$Date: 2023-11-06 09:25:42 +0200 (Mon, 06 Nov 2023) $
#$Revision: 287340 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/73/7247306.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_7247306
loop_
_publ_author_name
'Huang, Wei-Chun'
'Chen, Wei-Hao'
'Chen, Chia-Ling'
'Liao, Tsung-Te'
'Chen, Yi-Wun'
'Chen, Jhy-Der'
_publ_section_title
;
 Formation of entangled Co(ii) coordination polymers based on
 bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural
 comparison
;
_journal_issue                   39
_journal_name_full               CrystEngComm
_journal_page_first              5575
_journal_page_last               5587
_journal_paper_doi               10.1039/D3CE00803G
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'C34 H37 Co N4 O9.5 S'
_chemical_formula_weight         744.66
_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-2017/1
_audit_update_record
;
2023-08-06 deposited with the CCDC.	2023-09-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.9880(16)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   27.6580(9)
_cell_length_b                   11.2065(4)
_cell_length_c                   24.7275(8)
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.18
_cell_measurement_theta_min      2.33
_cell_volume                     6946.9(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0290
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            26738
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.996
_diffrn_reflns_theta_min         1.625
_exptl_absorpt_coefficient_mu    0.615
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6522
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS, 2008)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_description       plate
_exptl_crystal_F_000             3104
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         6767
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0357
_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)+(0.0804P)²+0.3731P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1066
_refine_ls_wR_factor_ref         0.1222
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5305
_reflns_number_total             6767
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce00803g2.cif
_cod_data_source_block           2b
_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 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7247304--7247313.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C34 H37 Co N4 O9.50 S'
_cod_database_code               7247306
_shelx_shelxl_version_number     2017/1
_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   0.748
_shelx_estimated_absorpt_t_max   0.941
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
Co Co 0.05451(2) 0.12808(3) 0.22631(2) 0.01638(11) Uani 1 1 d . . . . .
S S -0.20544(2) -0.18455(5) -0.07987(2) 0.01905(15) Uani 1 1 d . . . . .
O1 O 0.11400(8) -0.35931(16) 0.08927(8) 0.0436(5) Uani 1 1 d . . . . .
O2 O 0.08292(8) 0.40061(19) -0.02445(8) 0.0439(5) Uani 1 1 d . . . . .
O3 O -0.00689(7) 0.01969(13) 0.17094(6) 0.0233(4) Uani 1 1 d . . . . .
O4 O -0.07604(6) 0.03072(13) 0.19598(6) 0.0235(4) Uani 1 1 d . . . . .
O5 O -0.17784(6) -0.19160(14) -0.11790(6) 0.0261(4) Uani 1 1 d . . . . .
O6 O -0.22971(7) -0.29030(13) -0.06981(7) 0.0267(4) Uani 1 1 d . . . . .
O7 O -0.41911(7) 0.16951(15) -0.17223(7) 0.0291(4) Uani 1 1 d . . . . .
O8 O -0.38054(6) 0.25257(13) -0.22650(6) 0.0230(4) Uani 1 1 d . . . . .
O9 O 0.000000 0.2253(2) 0.250000 0.0190(5) Uani 1 2 d S T P . .
N1 N 0.10618(8) 0.01065(16) 0.20605(8) 0.0212(4) Uani 1 1 d . . . . .
N2 N 0.18286(8) -0.28448(17) 0.17082(8) 0.0267(5) Uani 1 1 d . . . . .
H2A H 0.215532 -0.296018 0.195490 0.032 Uiso 1 1 calc R U . . .
N3 N 0.03633(7) 0.23657(16) 0.14705(7) 0.0202(4) Uani 1 1 d . . . . .
N4 N 0.00144(9) 0.36548(18) -0.02500(8) 0.0307(5) Uani 1 1 d . . . . .
H4A H -0.032135 0.370038 -0.047686 0.037 Uiso 1 1 calc R U . . .
C1 C 0.14814(9) -0.0446(2) 0.24853(9) 0.0246(5) Uani 1 1 d . . . . .
H1A H 0.160293 -0.016197 0.287398 0.030 Uiso 1 1 calc R U . . .
C2 C 0.17434(10) -0.1403(2) 0.23841(10) 0.0264(6) Uani 1 1 d . . . . .
H2B H 0.203457 -0.174261 0.269667 0.032 Uiso 1 1 calc R U . . .
C3 C 0.15675(10) -0.1858(2) 0.18077(10) 0.0239(5) Uani 1 1 d . . . . .
C4 C 0.11405(10) -0.1273(2) 0.13547(10) 0.0267(6) Uani 1 1 d . . . . .
H4B H 0.101635 -0.152577 0.096060 0.032 Uiso 1 1 calc R U . . .
C5 C 0.09085(10) -0.0321(2) 0.15024(9) 0.0247(5) Uani 1 1 d . . . . .
H5B H 0.062558 0.005713 0.119598 0.030 Uiso 1 1 calc R U . . .
C6 C 0.16061(11) -0.3641(2) 0.12501(11) 0.0297(6) Uani 1 1 d . . . . .
C7 C 0.19836(11) -0.4578(2) 0.12151(12) 0.0357(6) Uani 1 1 d . . . . .
H7A H 0.177981 -0.518422 0.093004 0.043 Uiso 1 1 calc R U . . .
H7B H 0.216182 -0.495851 0.160177 0.043 Uiso 1 1 calc R U . . .
C8 C 0.24002(12) -0.4074(2) 0.10314(11) 0.0363(7) Uani 1 1 d . . . . .
H8A H 0.259979 -0.473142 0.097070 0.044 Uiso 1 1 calc R U . . .
H8B H 0.264789 -0.359386 0.135711 0.044 Uiso 1 1 calc R U . . .
C9 C 0.21813(13) -0.3316(3) 0.04711(12) 0.0440(7) Uani 1 1 d . . . . .
H9A H 0.201993 -0.260465 0.054709 0.053 Uiso 1 1 calc R U . . .
H9B H 0.190294 -0.376022 0.015591 0.053 Uiso 1 1 calc R U . . .
C10 C 0.25984(13) -0.2944(2) 0.02563(12) 0.0431(7) Uani 1 1 d . . . . .
H10A H 0.272580 -0.365202 0.013108 0.052 Uiso 1 1 calc R U . . .
H10B H 0.289890 -0.259660 0.058861 0.052 Uiso 1 1 calc R U . . .
C11 C -0.01418(10) 0.2466(2) 0.10396(9) 0.0239(5) Uani 1 1 d . . . . .
H11A H -0.042157 0.222253 0.112834 0.029 Uiso 1 1 calc R U . . .
C12 C -0.02614(10) 0.2907(2) 0.04816(10) 0.0268(6) Uani 1 1 d . . . . .
H12A H -0.061492 0.295972 0.020293 0.032 Uiso 1 1 calc R U . . .
C13 C 0.01476(10) 0.3279(2) 0.03312(9) 0.0230(5) Uani 1 1 d . . . . .
C14 C 0.06653(10) 0.3236(2) 0.07773(10) 0.0263(5) Uani 1 1 d . . . . .
H14A H 0.095123 0.350637 0.070662 0.032 Uiso 1 1 calc R U . . .
C15 C 0.07445(10) 0.2781(2) 0.13280(10) 0.0262(5) Uani 1 1 d . . . . .
H15A H 0.109256 0.276382 0.162251 0.031 Uiso 1 1 calc R U . . .
C16 C 0.03492(12) 0.3964(2) -0.05103(11) 0.0309(6) Uani 1 1 d . . . . .
C17 C 0.00541(12) 0.4187(2) -0.11741(10) 0.0367(7) Uani 1 1 d . . . . .
H17A H 0.024290 0.478321 -0.129536 0.044 Uiso 1 1 calc R U . . .
H17B H -0.029978 0.449209 -0.126319 0.044 Uiso 1 1 calc R U . . .
C18 C 0.00085(13) 0.3036(2) -0.15223(11) 0.0416(7) Uani 1 1 d . . . . .
H18A H 0.035813 0.282338 -0.149485 0.050 Uiso 1 1 calc R U . . .
H18B H -0.010886 0.239815 -0.134068 0.050 Uiso 1 1 calc R U . . .
C19 C -0.03792(13) 0.3139(3) -0.21780(12) 0.0506(8) Uani 1 1 d . . . . .
H19A H -0.036541 0.240566 -0.237954 0.061 Uiso 1 1 calc R U . . .
H19B H -0.073801 0.321695 -0.220503 0.061 Uiso 1 1 calc R U . . .
C20 C -0.02711(12) 0.4175(3) -0.25014(11) 0.0452(8) Uani 1 1 d . . . . .
H20A H -0.053649 0.416982 -0.291218 0.054 Uiso 1 1 calc R U . . .
H20B H -0.031495 0.491103 -0.232042 0.054 Uiso 1 1 calc R U . . .
C21 C -0.05491(10) 0.00607(19) 0.16149(9) 0.0200(5) Uani 1 1 d . . . . .
C22 C -0.09151(9) -0.04429(19) 0.10116(9) 0.0189(5) Uani 1 1 d . . . . .
C23 C -0.14100(9) -0.0904(2) 0.09191(9) 0.0235(5) Uani 1 1 d . . . . .
H23A H -0.151031 -0.092810 0.123359 0.028 Uiso 1 1 calc R U . . .
C24 C -0.17527(10) -0.1326(2) 0.03687(10) 0.0240(5) Uani 1 1 d . . . . .
H24A H -0.208271 -0.163585 0.031151 0.029 Uiso 1 1 calc R U . . .
C25 C -0.16060(9) -0.12880(18) -0.00992(9) 0.0182(5) Uani 1 1 d . . . . .
C26 C -0.11142(10) -0.0836(2) -0.00202(10) 0.0273(6) Uani 1 1 d . . . . .
H26A H -0.101755 -0.080890 -0.033749 0.033 Uiso 1 1 calc R U . . .
C27 C -0.07682(10) -0.0424(2) 0.05395(10) 0.0260(5) Uani 1 1 d . . . . .
H27A H -0.043463 -0.013156 0.059910 0.031 Uiso 1 1 calc R U . . .
C28 C -0.25579(9) -0.07541(19) -0.11015(9) 0.0195(5) Uani 1 1 d . . . . .
C29 C -0.29580(10) -0.0676(2) -0.09025(10) 0.0263(5) Uani 1 1 d . . . . .
H29A H -0.295416 -0.117654 -0.060084 0.032 Uiso 1 1 calc R U . . .
C30 C -0.33616(10) 0.0153(2) -0.11573(10) 0.0261(5) Uani 1 1 d . . . . .
H30A H -0.363061 0.021107 -0.102681 0.031 Uiso 1 1 calc R U . . .
C31 C -0.33661(9) 0.0903(2) -0.16092(9) 0.0216(5) Uani 1 1 d . . . . .
C32 C -0.29652(10) 0.0808(2) -0.17998(11) 0.0305(6) Uani 1 1 d . . . . .
H32A H -0.296994 0.130189 -0.210429 0.037 Uiso 1 1 calc R U . . .
C33 C -0.25570(10) -0.0009(2) -0.15452(11) 0.0296(6) Uani 1 1 d . . . . .
H33A H -0.228488 -0.005572 -0.167142 0.036 Uiso 1 1 calc R U . . .
C34 C -0.38232(10) 0.1783(2) -0.18858(9) 0.0229(5) Uani 1 1 d . . . . .
O10 O -0.20964(7) -0.18569(16) -0.24298(7) 0.0352(4) Uani 1 1 d . . . . .
H10C H -0.198294 -0.186010 -0.205228 0.042 Uiso 1 1 d R U . . .
H10D H -0.184073 -0.205440 -0.251638 0.042 Uiso 1 1 d R U . . .
H9C H 0.0237(13) 0.264(3) 0.2780(14) 0.065(10) Uiso 1 1 d . . . . .
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'
S S 0.1246 0.1234 '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
O3 Co O4 98.00(6) . 2 ?
O3 Co O9 90.22(6) . . ?
O4 Co O9 88.50(5) 2 . ?
O3 Co O8 172.49(6) . 8_556 ?
O4 Co O8 88.70(6) 2 8_556 ?
O9 Co O8 93.36(6) . 8_556 ?
O3 Co N1 85.82(7) . . ?
O4 Co N1 86.26(6) 2 . ?
O9 Co N1 172.92(7) . . ?
O8 Co N1 91.27(7) 8_556 . ?
O3 Co N3 85.36(6) . . ?
O4 Co N3 176.54(7) 2 . ?
O9 Co N3 92.33(6) . . ?
O8 Co N3 87.90(6) 8_556 . ?
N1 Co N3 93.19(6) . . ?
O6 S O5 118.89(10) . . ?
O6 S C25 108.02(10) . . ?
O5 S C25 108.21(10) . . ?
O6 S C28 107.62(10) . . ?
O5 S C28 107.55(10) . . ?
C25 S C28 105.82(10) . . ?
C21 O3 Co 134.65(13) . . ?
C21 O4 Co 135.72(15) . 2 ?
C34 O8 Co 121.68(15) . 8_455 ?
Co O9 Co 118.56(10) 2 . ?
Co O9 H9C 116(2) 2 . ?
Co O9 H9C 95(2) . . ?
Co O9 H9C 95(2) 2 2 ?
Co O9 H9C 116(2) . 2 ?
H9C O9 H9C 118(4) . 2 ?
C1 N1 C5 115.53(19) . . ?
C1 N1 Co 122.64(14) . . ?
C5 N1 Co 120.18(16) . . ?
C6 N2 C3 125.2(2) . . ?
C6 N2 H2A 117.4 . . ?
C3 N2 H2A 117.4 . . ?
C15 N3 C11 115.57(18) . . ?
C15 N3 Co 121.78(15) . . ?
C11 N3 Co 121.53(15) . . ?
C16 N4 C13 128.5(2) . . ?
C16 N4 H4A 115.7 . . ?
C13 N4 H4A 115.7 . . ?
N1 C1 C2 124.4(2) . . ?
N1 C1 H1A 117.8 . . ?
C2 C1 H1A 117.8 . . ?
C1 C2 C3 119.2(2) . . ?
C1 C2 H2B 120.4 . . ?
C3 C2 H2B 120.4 . . ?
C2 C3 N2 119.1(2) . . ?
C2 C3 C4 117.3(2) . . ?
N2 C3 C4 123.6(2) . . ?
C5 C4 C3 118.8(2) . . ?
C5 C4 H4B 120.6 . . ?
C3 C4 H4B 120.6 . . ?
N1 C5 C4 124.6(2) . . ?
N1 C5 H5B 117.7 . . ?
C4 C5 H5B 117.7 . . ?
O1 C6 N2 122.7(2) . . ?
O1 C6 C7 122.3(2) . . ?
N2 C6 C7 114.9(2) . . ?
C6 C7 C8 112.9(2) . . ?
C6 C7 H7A 109.0 . . ?
C8 C7 H7A 109.0 . . ?
C6 C7 H7B 109.0 . . ?
C8 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C7 C8 C9 115.0(2) . . ?
C7 C8 H8A 108.5 . . ?
C9 C8 H8A 108.5 . . ?
C7 C8 H8B 108.5 . . ?
C9 C8 H8B 108.5 . . ?
H8A C8 H8B 107.5 . . ?
C8 C9 C10 113.8(3) . . ?
C8 C9 H9A 108.8 . . ?
C10 C9 H9A 108.8 . . ?
C8 C9 H9B 108.8 . . ?
C10 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
C9 C10 C10 114.5(3) . 7_545 ?
C9 C10 H10A 108.6 . . ?
C10 C10 H10A 108.6 7_545 . ?
C9 C10 H10B 108.6 . . ?
C10 C10 H10B 108.6 7_545 . ?
H10A C10 H10B 107.6 . . ?
N3 C11 C12 123.5(2) . . ?
N3 C11 H11A 118.2 . . ?
C12 C11 H11A 118.2 . . ?
C11 C12 C13 119.9(2) . . ?
C11 C12 H12A 120.0 . . ?
C13 C12 H12A 120.0 . . ?
N4 C13 C14 124.4(2) . . ?
N4 C13 C12 118.4(2) . . ?
C14 C13 C12 117.2(2) . . ?
C15 C14 C13 118.4(2) . . ?
C15 C14 H14A 120.8 . . ?
C13 C14 H14A 120.8 . . ?
N3 C15 C14 125.2(2) . . ?
N3 C15 H15A 117.4 . . ?
C14 C15 H15A 117.4 . . ?
O2 C16 N4 123.8(2) . . ?
O2 C16 C17 123.3(2) . . ?
N4 C16 C17 112.8(2) . . ?
C16 C17 C18 110.5(2) . . ?
C16 C17 H17A 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
C19 C18 C17 112.9(2) . . ?
C19 C18 H18A 109.0 . . ?
C17 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
C17 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C20 C19 C18 114.4(2) . . ?
C20 C19 H19A 108.6 . . ?
C18 C19 H19A 108.6 . . ?
C20 C19 H19B 108.6 . . ?
C18 C19 H19B 108.6 . . ?
H19A C19 H19B 107.6 . . ?
C20 C20 C19 114.8(2) 2_554 . ?
C20 C20 H20A 108.6 2_554 . ?
C19 C20 H20A 108.6 . . ?
C20 C20 H20B 108.6 2_554 . ?
C19 C20 H20B 108.6 . . ?
H20A C20 H20B 107.5 . . ?
O4 C21 O3 127.4(2) . . ?
O4 C21 C22 116.3(2) . . ?
O3 C21 C22 116.28(18) . . ?
C23 C22 C27 119.0(2) . . ?
C23 C22 C21 120.23(18) . . ?
C27 C22 C21 120.7(2) . . ?
C24 C23 C22 120.7(2) . . ?
C24 C23 H23A 119.6 . . ?
C22 C23 H23A 119.6 . . ?
C23 C24 C25 119.8(2) . . ?
C23 C24 H24A 120.1 . . ?
C25 C24 H24A 120.1 . . ?
C24 C25 C26 120.8(2) . . ?
C24 C25 S 118.56(18) . . ?
C26 C25 S 120.63(16) . . ?
C25 C26 C27 119.0(2) . . ?
C25 C26 H26A 120.5 . . ?
C27 C26 H26A 120.5 . . ?
C26 C27 C22 120.6(2) . . ?
C26 C27 H27A 119.7 . . ?
C22 C27 H27A 119.7 . . ?
C33 C28 C29 120.8(2) . . ?
C33 C28 S 119.39(18) . . ?
C29 C28 S 119.79(17) . . ?
C30 C29 C28 119.4(2) . . ?
C30 C29 H29A 120.3 . . ?
C28 C29 H29A 120.3 . . ?
C29 C30 C31 120.2(2) . . ?
C29 C30 H30A 119.9 . . ?
C31 C30 H30A 119.9 . . ?
C32 C31 C30 119.4(2) . . ?
C32 C31 C34 122.2(2) . . ?
C30 C31 C34 118.4(2) . . ?
C31 C32 C33 121.0(2) . . ?
C31 C32 H32A 119.5 . . ?
C33 C32 H32A 119.5 . . ?
C28 C33 C32 119.2(2) . . ?
C28 C33 H33A 120.4 . . ?
C32 C33 H33A 120.4 . . ?
O7 C34 O8 125.6(2) . . ?
O7 C34 C31 116.15(19) . . ?
O8 C34 C31 118.2(2) . . ?
H10C O10 H10D 108.4 . . ?
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
Co O3 2.0663(15) . ?
Co O4 2.0665(14) 2 ?
Co O9 2.1330(12) . ?
Co O8 2.1464(15) 8_556 ?
Co N1 2.1516(18) . ?
Co N3 2.1770(17) . ?
S O6 1.4347(16) . ?
S O5 1.4420(16) . ?
S C25 1.763(2) . ?
S C28 1.765(2) . ?
O1 C6 1.218(3) . ?
O2 C16 1.208(3) . ?
O3 C21 1.257(3) . ?
O4 C21 1.252(3) . ?
O7 C34 1.247(3) . ?
O8 C34 1.270(3) . ?
O9 H9C 0.85(3) . ?
O9 H9C 0.85(3) 2 ?
N1 C1 1.343(3) . ?
N1 C5 1.349(3) . ?
N2 C6 1.367(3) . ?
N2 C3 1.398(3) . ?
N2 H2A 0.8600 . ?
N3 C15 1.329(3) . ?
N3 C11 1.357(3) . ?
N4 C16 1.377(3) . ?
N4 C13 1.390(3) . ?
N4 H4A 0.8600 . ?
C1 C2 1.375(3) . ?
C1 H1A 0.9300 . ?
C2 C3 1.394(3) . ?
C2 H2B 0.9300 . ?
C3 C4 1.401(3) . ?
C4 C5 1.372(3) . ?
C4 H4B 0.9300 . ?
C5 H5B 0.9300 . ?
C6 C7 1.509(3) . ?
C7 C8 1.515(4) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.516(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.518(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C10 1.521(5) 7_545 ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.368(3) . ?
C11 H11A 0.9300 . ?
C12 C13 1.395(3) . ?
C12 H12A 0.9300 . ?
C13 C14 1.391(3) . ?
C14 C15 1.382(3) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C17 1.514(3) . ?
C17 C18 1.527(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.524(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.510(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C20 1.497(6) 2_554 ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.514(3) . ?
C22 C23 1.389(3) . ?
C22 C27 1.389(3) . ?
C23 C24 1.373(3) . ?
C23 H23A 0.9300 . ?
C24 C25 1.379(3) . ?
C24 H24A 0.9300 . ?
C25 C26 1.386(3) . ?
C26 C27 1.388(3) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C28 C33 1.380(3) . ?
C28 C29 1.391(3) . ?
C29 C30 1.383(3) . ?
C29 H29A 0.9300 . ?
C30 C31 1.394(3) . ?
C30 H30A 0.9300 . ?
C31 C32 1.380(3) . ?
C31 C34 1.519(3) . ?
C32 C33 1.382(3) . ?
C32 H32A 0.9300 . ?
C33 H33A 0.9300 . ?
O10 H10C 0.8499 . ?
O10 H10D 0.8503 . ?
