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#$Date: 2024-05-05 23:41:45 +0300 (Sun, 05 May 2024) $
#$Revision: 291707 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/15/1571558.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_1571558
loop_
_publ_author_name
'Lee, Chia-Yi'
'Ye, Yu-Hui'
'Wang, Song-Wei'
'Chen, Jhy-Der'
_publ_section_title
;
 Diverse Co(II) Coordination Polymers with the Same Mixed Ligands:
 Evaluation of Chemical Stability and Structural Transformation.
;
_journal_issue                   8
_journal_name_full               'Molecules (Basel, Switzerland)'
_journal_page_first              1748
_journal_paper_doi               10.3390/molecules29081748
_journal_volume                  29
_journal_year                    2024
_chemical_formula_sum            'C35 H33 Co N6 O11 S'
_chemical_formula_weight         804.66
_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   mixed
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                105.7159(18)
_cell_angle_beta                 105.6037(18)
_cell_angle_gamma                91.3885(19)
_cell_formula_units_Z            2
_cell_length_a                   11.6913(8)
_cell_length_b                   12.5564(8)
_cell_length_c                   13.2862(8)
_cell_measurement_reflns_used    6466
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.43
_cell_measurement_theta_min      2.35
_cell_volume                     1798.4(2)
_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-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.1016
_diffrn_reflns_av_unetI/netI     0.0991
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            36271
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.662
_exptl_absorpt_coefficient_mu    0.605
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_description       plate
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.341
_refine_diff_density_min         -0.285
_refine_diff_density_rms         0.069
_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     497
_refine_ls_number_reflns         7082
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1193
_refine_ls_R_factor_gt           0.0535
_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)+(0.0299P)²+0.9541P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.1061
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4176
_reflns_number_total             7082
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            allcif.cif
_cod_data_source_block           3
_cod_database_code               1571558
_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. 
;
_shelx_estimated_absorpt_t_min   0.889
_shelx_estimated_absorpt_t_max   0.942
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
Co Co 0.67409(4) 1.21414(4) 0.45782(4) 0.02765(15) Uani 1 1 d . . . . .
S S 0.91033(10) 0.62786(10) 0.11036(8) 0.0487(3) Uani 1 1 d . . . . .
O1 O 0.7407(2) 1.2086(2) 0.98310(19) 0.0387(6) Uani 1 1 d . . . . .
O2 O 1.0115(3) 1.1202(2) 1.1018(2) 0.0632(9) Uani 1 1 d . . . . .
O3 O 0.3689(3) 1.0404(2) 0.0334(2) 0.0537(8) Uani 1 1 d . . . . .
O4 O 0.6725(2) 1.08315(19) 0.32534(17) 0.0330(6) Uani 1 1 d . . . . .
O5 O 0.5462(3) 0.9546(2) 0.3376(3) 0.0594(9) Uani 1 1 d . . . . .
O6 O 0.5342(3) 0.2922(2) -0.3512(2) 0.0547(8) Uani 1 1 d . . . . .
O7 O 0.6805(2) 0.3455(2) -0.41034(18) 0.0395(7) Uani 1 1 d . . . . .
O8 O 0.9250(3) 0.5523(3) 0.1763(2) 0.0695(10) Uani 1 1 d . . . . .
O9 O 1.0130(2) 0.6825(3) 0.0976(2) 0.0706(10) Uani 1 1 d . . . . .
O10 O 0.4978(2) 1.1519(2) 0.44772(19) 0.0406(7) Uani 1 1 d . . . . .
H10A H 0.493197 1.157769 0.511746 0.049 Uiso 1 1 d R U . . .
H10C H 0.486558 1.083140 0.412816 0.049 Uiso 1 1 d R U . . .
N1 N 0.7584(3) 1.1090(2) 0.5624(2) 0.0311(7) Uani 1 1 d . . . . .
N2 N 0.8339(3) 1.0635(2) 0.9093(2) 0.0328(7) Uani 1 1 d . . . . .
H2A H 0.898541 1.031521 0.919523 0.039 Uiso 1 1 calc R U . . .
N3 N 0.9233(3) 1.2718(2) 1.1632(2) 0.0328(8) Uani 1 1 d . . . . .
H3A H 0.859123 1.304114 1.150152 0.039 Uiso 1 1 calc R U . . .
N4 N 0.8504(3) 1.2766(2) 1.4612(2) 0.0316(7) Uani 1 1 d . . . . .
N5 N 0.6040(3) 1.3109(2) 0.3466(2) 0.0320(7) Uani 1 1 d . . . . .
N6 N 0.5178(3) 1.1438(3) 0.0124(2) 0.0387(8) Uani 1 1 d . . . . .
H6A H 0.582464 1.141311 -0.006917 0.046 Uiso 1 1 calc R U . . .
C1 C 0.8387(3) 1.0442(3) 0.5306(3) 0.0390(10) Uani 1 1 d . . . . .
H1A H 0.860958 1.050671 0.470215 0.047 Uiso 1 1 calc R U . . .
C2 C 0.8899(4) 0.9693(4) 0.5816(3) 0.0509(12) Uani 1 1 d . . . . .
H2B H 0.944334 0.925002 0.555597 0.061 Uiso 1 1 calc R U . . .
C3 C 0.8594(4) 0.9604(3) 0.6727(3) 0.0466(11) Uani 1 1 d . . . . .
H3B H 0.893119 0.910007 0.709085 0.056 Uiso 1 1 calc R U . . .
C4 C 0.7786(3) 1.0269(3) 0.7090(3) 0.0278(8) Uani 1 1 d . . . . .
C5 C 0.7301(3) 1.0985(3) 0.6509(3) 0.0279(8) Uani 1 1 d . . . . .
H5A H 0.674061 1.142451 0.674444 0.034 Uiso 1 1 calc R U . . .
C6 C 0.7400(3) 1.0186(3) 0.8066(3) 0.0355(9) Uani 1 1 d . . . . .
H6B H 0.670506 1.058650 0.809432 0.043 Uiso 1 1 calc R U . . .
H6C H 0.716975 0.941102 0.797760 0.043 Uiso 1 1 calc R U . . .
C7 C 0.8242(3) 1.1505(3) 0.9869(3) 0.0282(8) Uani 1 1 d . . . . .
C8 C 0.9304(3) 1.1792(3) 1.0901(3) 0.0315(9) Uani 1 1 d . . . . .
C9 C 1.0158(3) 1.3229(3) 1.2639(3) 0.0344(9) Uani 1 1 d . . . . .
H9B H 1.034014 1.400003 1.268027 0.041 Uiso 1 1 calc R U . . .
H9C H 1.087407 1.286105 1.261118 0.041 Uiso 1 1 calc R U . . .
C10 C 0.9863(3) 1.3195(3) 1.3670(3) 0.0288(8) Uani 1 1 d . . . . .
C11 C 1.0707(3) 1.3664(3) 1.4662(3) 0.0471(11) Uani 1 1 d . . . . .
H11A H 1.145432 1.396007 1.468585 0.057 Uiso 1 1 calc R U . . .
C12 C 1.0436(4) 1.3691(4) 1.5619(3) 0.0493(11) Uani 1 1 d . . . . .
H12A H 1.099120 1.401056 1.629339 0.059 Uiso 1 1 calc R U . . .
C13 C 0.9333(3) 1.3237(3) 1.5551(3) 0.0399(10) Uani 1 1 d . . . . .
H13A H 0.915310 1.325918 1.619598 0.048 Uiso 1 1 calc R U . . .
C14 C 0.8784(3) 1.2743(3) 1.3686(3) 0.0296(9) Uani 1 1 d . . . . .
H14A H 0.821824 1.240533 1.302229 0.035 Uiso 1 1 calc R U . . .
C15 C 0.6257(3) 1.4217(3) 0.3769(3) 0.0398(10) Uani 1 1 d . . . . .
H15A H 0.658630 1.458502 0.450609 0.048 Uiso 1 1 calc R U . . .
C16 C 0.6020(4) 1.4835(3) 0.3049(3) 0.0505(12) Uani 1 1 d . . . . .
H16A H 0.618820 1.560502 0.328945 0.061 Uiso 1 1 calc R U . . .
C17 C 0.5523(4) 1.4289(3) 0.1955(3) 0.0474(11) Uani 1 1 d . . . . .
H17A H 0.535766 1.469300 0.144924 0.057 Uiso 1 1 calc R U . . .
C18 C 0.5271(3) 1.3148(3) 0.1608(3) 0.0342(9) Uani 1 1 d . . . . .
C19 C 0.5543(3) 1.2606(3) 0.2407(3) 0.0341(9) Uani 1 1 d . . . . .
H19A H 0.536633 1.183779 0.219037 0.041 Uiso 1 1 calc R U . . .
C20 C 0.4717(4) 1.2503(3) 0.0424(3) 0.0456(11) Uani 1 1 d . . . . .
H20A H 0.385954 1.238134 0.028623 0.055 Uiso 1 1 calc R U . . .
H20B H 0.486690 1.294296 -0.003379 0.055 Uiso 1 1 calc R U . . .
C21 C 0.4640(4) 1.0495(3) 0.0135(3) 0.0372(10) Uani 1 1 d . . . . .
C22 C 0.6308(3) 0.9835(3) 0.3080(3) 0.0331(9) Uani 1 1 d . . . . .
C23 C 0.6963(3) 0.8941(3) 0.2528(3) 0.0298(9) Uani 1 1 d . . . . .
C24 C 0.7847(4) 0.9210(3) 0.2101(3) 0.0446(11) Uani 1 1 d . . . . .
H24A H 0.801481 0.994513 0.212171 0.054 Uiso 1 1 calc R U . . .
C25 C 0.8487(4) 0.8399(3) 0.1643(3) 0.0467(11) Uani 1 1 d . . . . .
H25A H 0.907209 0.858442 0.134659 0.056 Uiso 1 1 calc R U . . .
C26 C 0.8250(3) 0.7315(3) 0.1629(3) 0.0332(9) Uani 1 1 d . . . . .
C27 C 0.7362(4) 0.7031(3) 0.2036(3) 0.0387(10) Uani 1 1 d . . . . .
H27A H 0.719699 0.629583 0.201388 0.046 Uiso 1 1 calc R U . . .
C28 C 0.6711(3) 0.7844(3) 0.2479(3) 0.0379(10) Uani 1 1 d . . . . .
H28A H 0.610109 0.765016 0.274400 0.045 Uiso 1 1 calc R U . . .
C29 C 0.8178(3) 0.5541(3) -0.0206(3) 0.0363(10) Uani 1 1 d . . . . .
C30 C 0.8188(4) 0.5889(4) -0.1100(3) 0.0560(13) Uani 1 1 d . . . . .
H30A H 0.860962 0.655973 -0.101618 0.067 Uiso 1 1 calc R U . . .
C31 C 0.7556(4) 0.5220(4) -0.2132(3) 0.0520(12) Uani 1 1 d . . . . .
H31A H 0.758310 0.543708 -0.274226 0.062 Uiso 1 1 calc R U . . .
C32 C 0.6902(3) 0.4259(3) -0.2268(3) 0.0340(9) Uani 1 1 d . . . . .
C33 C 0.6843(4) 0.3946(3) -0.1371(3) 0.0498(12) Uani 1 1 d . . . . .
H33A H 0.635868 0.331072 -0.145620 0.060 Uiso 1 1 calc R U . . .
C34 C 0.7505(4) 0.4576(3) -0.0334(3) 0.0534(12) Uani 1 1 d . . . . .
H34A H 0.749354 0.434437 0.027175 0.064 Uiso 1 1 calc R U . . .
C35 C 0.6287(4) 0.3497(3) -0.3395(3) 0.0366(9) Uani 1 1 d . . . . .
O11 O 0.341(4) 1.328(4) 0.420(5) 0.098(8) Uani 0.55(12) 1 d . . P A 1
O11' O 0.317(3) 1.289(6) 0.367(8) 0.105(13) Uani 0.45(12) 1 d . . P A 2
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
O7 Co O4 178.39(11) 1_566 . ?
O7 Co O10 92.49(10) 1_566 . ?
O4 Co O10 89.12(10) . . ?
O7 Co N5 91.49(10) 1_566 . ?
O4 Co N5 88.57(10) . . ?
O10 Co N5 91.65(10) . . ?
O7 Co N4 88.98(10) 1_566 1_554 ?
O4 Co N4 89.42(10) . 1_554 ?
O10 Co N4 177.75(10) . 1_554 ?
N5 Co N4 86.61(11) . 1_554 ?
O7 Co N1 92.47(10) 1_566 . ?
O4 Co N1 87.36(10) . . ?
O10 Co N1 92.19(10) . . ?
N5 Co N1 174.36(11) . . ?
N4 Co N1 89.45(10) 1_554 . ?
O8 S O9 120.4(2) . . ?
O8 S C26 107.16(17) . . ?
O9 S C26 107.96(19) . . ?
O8 S C29 106.98(19) . . ?
O9 S C29 108.38(18) . . ?
C26 S C29 104.93(17) . . ?
C22 O4 Co 125.7(2) . . ?
C35 O7 Co 127.4(2) . 1_544 ?
Co O10 H10A 109.0 . . ?
Co O10 H10C 108.2 . . ?
H10A O10 H10C 107.8 . . ?
C1 N1 C5 116.3(3) . . ?
C1 N1 Co 117.6(2) . . ?
C5 N1 Co 125.9(2) . . ?
C7 N2 C6 123.0(3) . . ?
C7 N2 H2A 118.5 . . ?
C6 N2 H2A 118.5 . . ?
C8 N3 C9 124.6(3) . . ?
C8 N3 H3A 117.7 . . ?
C9 N3 H3A 117.7 . . ?
C13 N4 C14 117.2(3) . . ?
C13 N4 Co 121.2(2) . 1_556 ?
C14 N4 Co 121.5(2) . 1_556 ?
C19 N5 C15 117.0(3) . . ?
C19 N5 Co 120.4(2) . . ?
C15 N5 Co 121.7(2) . . ?
C21 N6 C20 122.7(3) . . ?
C21 N6 H6A 118.7 . . ?
C20 N6 H6A 118.7 . . ?
N1 C1 C2 123.8(3) . . ?
N1 C1 H1A 118.1 . . ?
C2 C1 H1A 118.1 . . ?
C1 C2 C3 118.7(4) . . ?
C1 C2 H2B 120.7 . . ?
C3 C2 H2B 120.7 . . ?
C4 C3 C2 119.2(3) . . ?
C4 C3 H3B 120.4 . . ?
C2 C3 H3B 120.4 . . ?
C3 C4 C5 117.8(3) . . ?
C3 C4 C6 121.3(3) . . ?
C5 C4 C6 120.8(3) . . ?
N1 C5 C4 124.1(3) . . ?
N1 C5 H5A 117.9 . . ?
C4 C5 H5A 117.9 . . ?
N2 C6 C4 112.6(3) . . ?
N2 C6 H6B 109.1 . . ?
C4 C6 H6B 109.1 . . ?
N2 C6 H6C 109.1 . . ?
C4 C6 H6C 109.1 . . ?
H6B C6 H6C 107.8 . . ?
O1 C7 N2 126.6(3) . . ?
O1 C7 C8 119.2(3) . . ?
N2 C7 C8 114.2(3) . . ?
O2 C8 N3 124.7(3) . . ?
O2 C8 C7 122.2(3) . . ?
N3 C8 C7 113.1(3) . . ?
N3 C9 C10 115.5(3) . . ?
N3 C9 H9B 108.4 . . ?
C10 C9 H9B 108.4 . . ?
N3 C9 H9C 108.4 . . ?
C10 C9 H9C 108.4 . . ?
H9B C9 H9C 107.5 . . ?
C14 C10 C11 117.5(3) . . ?
C14 C10 C9 123.8(3) . . ?
C11 C10 C9 118.6(3) . . ?
C10 C11 C12 119.7(4) . . ?
C10 C11 H11A 120.2 . . ?
C12 C11 H11A 120.2 . . ?
C13 C12 C11 118.5(3) . . ?
C13 C12 H12A 120.8 . . ?
C11 C12 H12A 120.8 . . ?
N4 C13 C12 123.6(3) . . ?
N4 C13 H13A 118.2 . . ?
C12 C13 H13A 118.2 . . ?
N4 C14 C10 123.5(3) . . ?
N4 C14 H14A 118.3 . . ?
C10 C14 H14A 118.3 . . ?
N5 C15 C16 123.3(4) . . ?
N5 C15 H15A 118.4 . . ?
C16 C15 H15A 118.4 . . ?
C15 C16 C17 118.4(4) . . ?
C15 C16 H16A 120.8 . . ?
C17 C16 H16A 120.8 . . ?
C18 C17 C16 120.3(4) . . ?
C18 C17 H17A 119.8 . . ?
C16 C17 H17A 119.8 . . ?
C17 C18 C19 116.5(3) . . ?
C17 C18 C20 122.9(3) . . ?
C19 C18 C20 120.7(3) . . ?
N5 C19 C18 124.6(3) . . ?
N5 C19 H19A 117.7 . . ?
C18 C19 H19A 117.7 . . ?
N6 C20 C18 112.9(3) . . ?
N6 C20 H20A 109.0 . . ?
C18 C20 H20A 109.0 . . ?
N6 C20 H20B 109.0 . . ?
C18 C20 H20B 109.0 . . ?
H20A C20 H20B 107.8 . . ?
O3 C21 N6 125.3(4) . . ?
O3 C21 C21 122.6(5) . 2_675 ?
N6 C21 C21 112.1(4) . 2_675 ?
O5 C22 O4 125.5(3) . . ?
O5 C22 C23 118.3(3) . . ?
O4 C22 C23 116.1(3) . . ?
C24 C23 C28 119.1(3) . . ?
C24 C23 C22 120.7(3) . . ?
C28 C23 C22 120.2(3) . . ?
C23 C24 C25 120.7(4) . . ?
C23 C24 H24A 119.6 . . ?
C25 C24 H24A 119.6 . . ?
C26 C25 C24 119.5(4) . . ?
C26 C25 H25A 120.2 . . ?
C24 C25 H25A 120.2 . . ?
C27 C26 C25 120.4(3) . . ?
C27 C26 S 119.4(3) . . ?
C25 C26 S 120.2(3) . . ?
C26 C27 C28 119.8(4) . . ?
C26 C27 H27A 120.1 . . ?
C28 C27 H27A 120.1 . . ?
C23 C28 C27 120.4(4) . . ?
C23 C28 H28A 119.8 . . ?
C27 C28 H28A 119.8 . . ?
C34 C29 C30 120.1(4) . . ?
C34 C29 S 119.4(3) . . ?
C30 C29 S 120.4(3) . . ?
C29 C30 C31 118.9(4) . . ?
C29 C30 H30A 120.6 . . ?
C31 C30 H30A 120.6 . . ?
C32 C31 C30 121.4(4) . . ?
C32 C31 H31A 119.3 . . ?
C30 C31 H31A 119.3 . . ?
C31 C32 C33 119.5(4) . . ?
C31 C32 C35 121.0(3) . . ?
C33 C32 C35 119.4(4) . . ?
C32 C33 C34 120.2(4) . . ?
C32 C33 H33A 119.9 . . ?
C34 C33 H33A 119.9 . . ?
C29 C34 C33 119.8(4) . . ?
C29 C34 H34A 120.1 . . ?
C33 C34 H34A 120.1 . . ?
O7 C35 O6 126.1(4) . . ?
O7 C35 C32 116.4(3) . . ?
O6 C35 C32 117.4(3) . . ?
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 O7 2.038(2) 1_566 ?
Co O4 2.053(2) . ?
Co O10 2.144(2) . ?
Co N5 2.168(3) . ?
Co N4 2.173(3) 1_554 ?
Co N1 2.228(3) . ?
S O8 1.440(3) . ?
S O9 1.440(3) . ?
S C26 1.766(4) . ?
S C29 1.767(4) . ?
O1 C7 1.231(4) . ?
O2 C8 1.221(4) . ?
O3 C21 1.221(4) . ?
O4 C22 1.269(4) . ?
O5 C22 1.239(4) . ?
O6 C35 1.254(4) . ?
O7 C35 1.240(4) . ?
O10 H10A 0.8501 . ?
O10 H10C 0.8500 . ?
N1 C1 1.335(4) . ?
N1 C5 1.343(4) . ?
N2 C7 1.315(4) . ?
N2 C6 1.461(4) . ?
N2 H2A 0.8600 . ?
N3 C8 1.319(4) . ?
N3 C9 1.447(4) . ?
N3 H3A 0.8600 . ?
N4 C13 1.329(4) . ?
N4 C14 1.350(4) . ?
N5 C19 1.333(4) . ?
N5 C15 1.337(4) . ?
N6 C21 1.332(5) . ?
N6 C20 1.449(5) . ?
N6 H6A 0.8600 . ?
C1 C2 1.363(5) . ?
C1 H1A 0.9300 . ?
C2 C3 1.382(5) . ?
C2 H2B 0.9300 . ?
C3 C4 1.374(5) . ?
C3 H3B 0.9300 . ?
C4 C5 1.375(4) . ?
C4 C6 1.510(4) . ?
C5 H5A 0.9300 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 C8 1.531(5) . ?
C9 C10 1.512(4) . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 C14 1.378(4) . ?
C10 C11 1.382(5) . ?
C11 C12 1.383(5) . ?
C11 H11A 0.9300 . ?
C12 C13 1.367(5) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 C16 1.365(5) . ?
C15 H15A 0.9300 . ?
C16 C17 1.381(5) . ?
C16 H16A 0.9300 . ?
C17 C18 1.379(5) . ?
C17 H17A 0.9300 . ?
C18 C19 1.382(4) . ?
C18 C20 1.512(5) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C21 1.534(8) 2_675 ?
C22 C23 1.510(5) . ?
C23 C24 1.382(5) . ?
C23 C28 1.382(5) . ?
C24 C25 1.383(5) . ?
C24 H24A 0.9300 . ?
C25 C26 1.376(5) . ?
C25 H25A 0.9300 . ?
C26 C27 1.374(5) . ?
C27 C28 1.385(5) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.9300 . ?
C29 C34 1.373(5) . ?
C29 C30 1.376(5) . ?
C30 C31 1.389(5) . ?
C30 H30A 0.9300 . ?
C31 C32 1.356(5) . ?
C31 H31A 0.9300 . ?
C32 C33 1.369(5) . ?
C32 C35 1.511(5) . ?
C33 C34 1.389(5) . ?
C33 H33A 0.9300 . ?
C34 H34A 0.9300 . ?
