#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:56:44 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179547 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/16/4501601.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_4501601
loop_
_publ_author_name
'Li, Cheng-Peng'
'Yu, Qian'
'Chen, Jing'
'Du, Miao'
_publ_section_title
;
 Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and
 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for
 Cd(II) Species
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2650
_journal_paper_doi               10.1021/cg100144p
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C40 H66 Co3 N8 O38 S2'
_chemical_formula_weight         1507.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.699(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.021(2)
_cell_length_b                   20.296(7)
_cell_length_c                   20.820(7)
_cell_measurement_reflns_used    3651
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.19
_cell_measurement_theta_min      2.82
_cell_volume                     2940.1(16)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_collection       'Bruker APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14966
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    1.019
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.773849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1558
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.502
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         5188
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0378P)²+2.4059P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0895
_reflns_number_gt                3862
_reflns_number_total             5188
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg100144p_si_002.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2940.3(18)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4501601
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.13172(6) 0.31198(2) 1.056764(18) 0.02247(12) Uani 1 1 d .
Co2 Co 1.0000 0.5000 0.5000 0.03238(17) Uani 1 2 d S
S1 S -0.02674(12) 0.50884(4) 0.76768(4) 0.0304(2) Uani 1 1 d .
O1 O 0.0396(3) 0.33575(10) 0.95915(9) 0.0302(5) Uani 1 1 d .
O2 O -0.0853(4) 0.24152(12) 0.91917(10) 0.0464(7) Uani 1 1 d .
O3 O -0.2556(4) 0.21677(11) 0.68158(10) 0.0372(6) Uani 1 1 d .
O4 O -0.2889(3) 0.30483(11) 0.61925(10) 0.0375(6) Uani 1 1 d .
O5 O 0.1055(4) 0.51172(13) 0.72067(13) 0.0603(8) Uani 1 1 d .
O6 O -0.2055(4) 0.53993(13) 0.74460(14) 0.0597(8) Uani 1 1 d .
O7 O 0.0552(4) 0.53272(12) 0.83040(11) 0.0490(7) Uani 1 1 d .
O8 O 0.5516(3) 0.61273(10) 1.16987(9) 0.0266(5) Uani 1 1 d .
O9 O -0.1059(3) 0.35727(11) 1.09074(10) 0.0303(5) Uani 1 1 d .
H9A H -0.0789 0.3926 1.1119 0.045 Uiso 1 1 d R
H9B H -0.1676 0.3287 1.1096 0.045 Uiso 1 1 d R
O10 O 0.3946(3) 0.27218(12) 1.03444(11) 0.0429(6) Uani 1 1 d .
H10A H 0.4450 0.2964 1.0080 0.064 Uiso 1 1 d R
H10B H 0.4706 0.2478 1.0593 0.064 Uiso 1 1 d R
O11 O -0.0162(3) 0.22078(11) 1.04105(10) 0.0308(5) Uani 1 1 d .
H11A H -0.1040 0.2127 1.0643 0.046 Uiso 1 1 d R
H11B H -0.0518 0.2217 1.0004 0.046 Uiso 1 1 d R
O12 O 0.7388(4) 0.45355(13) 0.48057(12) 0.0492(7) Uani 1 1 d .
H12A H 0.7107 0.4261 0.4495 0.074 Uiso 1 1 d R
H12B H 0.6817 0.4467 0.5137 0.074 Uiso 1 1 d R
O13 O 1.1250(3) 0.41768(12) 0.54993(12) 0.0459(6) Uani 1 1 d .
H13A H 1.2463 0.4214 0.5521 0.069 Uiso 1 1 d R
H13B H 1.0764 0.3814 0.5352 0.069 Uiso 1 1 d R
O14 O 0.9189(4) 0.53495(14) 0.58636(12) 0.0573(8) Uani 1 1 d .
H14A H 0.8722 0.5736 0.5798 0.086 Uiso 1 1 d R
H14B H 0.9583 0.5251 0.6256 0.086 Uiso 1 1 d R
O15 O 0.4687(4) 0.48484(17) 0.68015(16) 0.0801(10) Uani 1 1 d .
H15A H 0.4826 0.5238 0.6653 0.120 Uiso 1 1 d R
H15B H 0.3747 0.4800 0.7018 0.120 Uiso 1 1 d R
O16 O 0.5194(3) 0.41669(12) 0.57371(12) 0.0452(6) Uani 1 1 d .
H16A H 0.5789 0.3809 0.5848 0.068 Uiso 1 1 d R
H16B H 0.5088 0.4440 0.6042 0.068 Uiso 1 1 d R
O17 O 0.6515(4) 0.12327(15) 0.76432(14) 0.0661(8) Uani 1 1 d .
H17A H 0.7240 0.0899 0.7740 0.099 Uiso 1 1 d R
H17B H 0.6992 0.1541 0.7430 0.099 Uiso 1 1 d R
O18 O 0.6328(4) 0.14469(13) 0.89180(13) 0.0581(8) Uani 1 1 d .
H18A H 0.6538 0.1316 0.8543 0.087 Uiso 1 1 d R
H18B H 0.7077 0.1754 0.9087 0.087 Uiso 1 1 d R
O19 O 0.2693(5) 0.15058(16) 0.92543(17) 0.0884(11) Uani 1 1 d .
H19A H 0.3800 0.1414 0.9158 0.133 Uiso 1 1 d R
H19B H 0.2425 0.1910 0.9296 0.133 Uiso 1 1 d R
N1 N 0.2735(4) 0.40691(13) 1.06573(11) 0.0252(6) Uani 1 1 d .
N2 N 0.4961(4) 0.64993(13) 1.07027(12) 0.0317(6) Uani 1 1 d .
N3 N 0.5694(4) 0.70173(13) 1.11078(12) 0.0322(7) Uani 1 1 d .
N4 N 0.7813(4) 0.77238(12) 1.34680(11) 0.0243(6) Uani 1 1 d .
C1 C 0.4776(5) 0.48125(16) 1.13162(15) 0.0328(8) Uani 1 1 d .
H1 H 0.5654 0.4880 1.1686 0.039 Uiso 1 1 calc R
C2 C 0.4040(5) 0.41968(16) 1.11705(15) 0.0320(8) Uani 1 1 d .
H2 H 0.4472 0.3850 1.1443 0.038 Uiso 1 1 calc R
C3 C 0.2226(5) 0.45739(15) 1.02559(14) 0.0284(7) Uani 1 1 d .
H3 H 0.1354 0.4492 0.9887 0.034 Uiso 1 1 calc R
C4 C 0.2910(4) 0.52038(16) 1.03549(14) 0.0283(7) Uani 1 1 d .
H4 H 0.2521 0.5537 1.0060 0.034 Uiso 1 1 calc R
C5 C 0.4197(4) 0.53307(15) 1.09074(13) 0.0234(7) Uani 1 1 d .
C6 C 0.4875(4) 0.59945(16) 1.10687(14) 0.0246(7) Uani 1 1 d .
C7 C 0.5976(4) 0.67749(15) 1.16851(14) 0.0253(7) Uani 1 1 d .
C8 C 0.6655(4) 0.70994(15) 1.22943(14) 0.0221(7) Uani 1 1 d .
C9 C 0.7231(4) 0.77495(15) 1.23141(14) 0.0272(7) Uani 1 1 d .
H9 H 0.7235 0.7988 1.1933 0.033 Uiso 1 1 calc R
C10 C 0.7799(4) 0.80406(15) 1.29052(14) 0.0266(7) Uani 1 1 d .
H10 H 0.8193 0.8478 1.2913 0.032 Uiso 1 1 calc R
C11 C 0.7267(5) 0.70928(15) 1.34384(14) 0.0280(7) Uani 1 1 d .
H11 H 0.7277 0.6865 1.3826 0.034 Uiso 1 1 calc R
C12 C 0.6694(4) 0.67605(15) 1.28747(14) 0.0277(7) Uani 1 1 d .
H12 H 0.6340 0.6319 1.2880 0.033 Uiso 1 1 calc R
C13 C -0.0788(4) 0.33082(15) 0.84731(13) 0.0222(7) Uani 1 1 d .
C14 C -0.1483(4) 0.29251(15) 0.79390(14) 0.0243(7) Uani 1 1 d .
H14 H -0.1733 0.2480 0.7995 0.029 Uiso 1 1 calc R
C15 C -0.1810(4) 0.31991(15) 0.73209(13) 0.0225(7) Uani 1 1 d .
C16 C -0.1432(4) 0.38611(15) 0.72438(14) 0.0252(7) Uani 1 1 d .
H16 H -0.1641 0.4051 0.6834 0.030 Uiso 1 1 calc R
C17 C -0.0741(4) 0.42418(15) 0.77776(14) 0.0234(7) Uani 1 1 d .
C18 C -0.0415(4) 0.39682(15) 0.83879(14) 0.0245(7) Uani 1 1 d .
H18 H 0.0055 0.4228 0.8742 0.029 Uiso 1 1 calc R
C19 C -0.0392(4) 0.30037(16) 0.91396(14) 0.0263(7) Uani 1 1 d .
C20 C -0.2475(4) 0.27713(16) 0.67359(14) 0.0262(7) Uani 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
O1 Co1 O9 93.97(9) . .
O1 Co1 O10 92.27(9) . .
O9 Co1 O10 171.82(9) . .
O1 Co1 O11 88.30(8) . .
O9 Co1 O11 92.24(9) . .
O10 Co1 O11 93.22(10) . .
O1 Co1 N1 87.56(9) . .
O9 Co1 N1 87.62(9) . .
O10 Co1 N1 87.38(10) . .
O11 Co1 N1 175.84(9) . .
O1 Co1 N4 171.52(9) . 2_647
O9 Co1 N4 89.33(9) . 2_647
O10 Co1 N4 85.22(9) . 2_647
O11 Co1 N4 83.75(9) . 2_647
N1 Co1 N4 100.40(9) . 2_647
O12 Co2 O12 180.00(13) 3_766 .
O12 Co2 O14 90.79(11) 3_766 .
O12 Co2 O14 89.21(11) . .
O12 Co2 O14 89.21(11) 3_766 3_766
O12 Co2 O14 90.79(11) . 3_766
O14 Co2 O14 180.000(1) . 3_766
O12 Co2 O13 92.02(10) 3_766 3_766
O12 Co2 O13 87.98(10) . 3_766
O14 Co2 O13 90.69(11) . 3_766
O14 Co2 O13 89.31(11) 3_766 3_766
O12 Co2 O13 87.98(10) 3_766 .
O12 Co2 O13 92.02(10) . .
O14 Co2 O13 89.31(11) . .
O14 Co2 O13 90.69(11) 3_766 .
O13 Co2 O13 180.00(12) 3_766 .
O6 S1 O5 111.79(19) . .
O6 S1 O7 112.49(17) . .
O5 S1 O7 112.83(17) . .
O6 S1 C17 107.36(16) . .
O5 S1 C17 105.62(15) . .
O7 S1 C17 106.17(15) . .
C19 O1 Co1 129.9(2) . .
C7 O8 C6 102.8(2) . .
Co1 O9 H9A 114.2 . .
Co1 O9 H9B 109.4 . .
H9A O9 H9B 115.4 . .
Co1 O10 H10A 111.8 . .
Co1 O10 H10B 125.5 . .
H10A O10 H10B 116.7 . .
Co1 O11 H11A 117.2 . .
Co1 O11 H11B 101.9 . .
H11A O11 H11B 115.7 . .
Co2 O12 H12A 123.8 . .
Co2 O12 H12B 114.7 . .
H12A O12 H12B 114.8 . .
Co2 O13 H13A 107.7 . .
Co2 O13 H13B 112.9 . .
H13A O13 H13B 116.5 . .
Co2 O14 H14A 108.6 . .
Co2 O14 H14B 131.1 . .
H14A O14 H14B 116.1 . .
H15A O15 H15B 115.4 . .
H16A O16 H16B 116.1 . .
H17A O17 H17B 115.9 . .
H18A O18 H18B 115.3 . .
H19A O19 H19B 117.2 . .
C2 N1 C3 116.6(3) . .
C2 N1 Co1 120.0(2) . .
C3 N1 Co1 123.1(2) . .
C6 N2 N3 106.5(2) . .
C7 N3 N2 105.8(3) . .
C10 N4 C11 116.9(3) . .
C10 N4 Co1 126.9(2) . 2_657
C11 N4 Co1 116.14(19) . 2_657
C2 C1 C5 119.2(3) . .
C2 C1 H1 120.4 . .
C5 C1 H1 120.4 . .
N1 C2 C1 123.5(3) . .
N1 C2 H2 118.3 . .
C1 C2 H2 118.3 . .
N1 C3 C4 124.1(3) . .
N1 C3 H3 118.0 . .
C4 C3 H3 118.0 . .
C3 C4 C5 118.3(3) . .
C3 C4 H4 120.9 . .
C5 C4 H4 120.9 . .
C1 C5 C4 118.4(3) . .
C1 C5 C6 120.3(3) . .
C4 C5 C6 121.3(3) . .
N2 C6 O8 112.3(3) . .
N2 C6 C5 130.0(3) . .
O8 C6 C5 117.6(3) . .
N3 C7 O8 112.5(3) . .
N3 C7 C8 129.3(3) . .
O8 C7 C8 118.2(3) . .
C9 C8 C12 118.5(3) . .
C9 C8 C7 121.4(3) . .
C12 C8 C7 120.1(3) . .
C10 C9 C8 119.1(3) . .
C10 C9 H9 120.4 . .
C8 C9 H9 120.4 . .
N4 C10 C9 123.1(3) . .
N4 C10 H10 118.5 . .
C9 C10 H10 118.5 . .
N4 C11 C12 124.2(3) . .
N4 C11 H11 117.9 . .
C12 C11 H11 117.9 . .
C11 C12 C8 118.2(3) . .
C11 C12 H12 120.9 . .
C8 C12 H12 120.9 . .
C18 C13 C14 119.5(3) . .
C18 C13 C19 120.0(3) . .
C14 C13 C19 120.5(3) . .
C13 C14 C15 120.8(3) . .
C13 C14 H14 119.6 . .
C15 C14 H14 119.6 . .
C16 C15 C14 119.0(3) . .
C16 C15 C20 120.4(3) . .
C14 C15 C20 120.5(3) . .
C15 C16 C17 120.0(3) . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C18 C17 C16 120.8(3) . .
C18 C17 S1 119.4(2) . .
C16 C17 S1 119.8(2) . .
C17 C18 C13 119.9(3) . .
C17 C18 H18 120.1 . .
C13 C18 H18 120.1 . .
O2 C19 O1 125.3(3) . .
O2 C19 C13 117.0(3) . .
O1 C19 C13 117.6(3) . .
O3 C20 O4 123.5(3) . .
O3 C20 C15 118.2(3) . .
O4 C20 C15 118.3(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.105(2) .
Co1 O9 2.109(2) .
Co1 O10 2.123(2) .
Co1 O11 2.126(2) .
Co1 N1 2.165(3) .
Co1 N4 2.173(2) 2_647
Co2 O12 2.054(2) 3_766
Co2 O12 2.054(2) .
Co2 O14 2.082(2) .
Co2 O14 2.082(2) 3_766
Co2 O13 2.097(2) 3_766
Co2 O13 2.097(2) .
S1 O6 1.429(3) .
S1 O5 1.438(3) .
S1 O7 1.439(2) .
S1 C17 1.768(3) .
O1 C19 1.252(4) .
O2 C19 1.246(4) .
O3 C20 1.239(4) .
O4 C20 1.262(4) .
O8 C7 1.355(4) .
O8 C6 1.356(3) .
O9 H9A 0.8500 .
O9 H9B 0.8501 .
O10 H10A 0.8500 .
O10 H10B 0.8505 .
O11 H11A 0.8501 .
O11 H11B 0.8501 .
O12 H12A 0.8558 .
O12 H12B 0.8541 .
O13 H13A 0.8504 .
O13 H13B 0.8523 .
O14 H14A 0.8542 .
O14 H14B 0.8500 .
O15 H15A 0.8583 .
O15 H15B 0.8525 .
O16 H16A 0.8550 .
O16 H16B 0.8531 .
O17 H17A 0.8553 .
O17 H17B 0.8598 .
O18 H18A 0.8567 .
O18 H18B 0.8592 .
O19 H19A 0.8498 .
O19 H19B 0.8493 .
N1 C2 1.337(4) .
N1 C3 1.340(4) .
N2 C6 1.283(4) .
N2 N3 1.402(3) .
N3 C7 1.289(4) .
N4 C10 1.335(4) .
N4 C11 1.336(4) .
N4 Co1 2.173(2) 2_657
C1 C2 1.371(4) .
C1 C5 1.380(4) .
C1 H1 0.9300 .
C2 H2 0.9300 .
C3 C4 1.372(4) .
C3 H3 0.9300 .
C4 C5 1.389(4) .
C4 H4 0.9300 .
C5 C6 1.453(4) .
C7 C8 1.452(4) .
C8 C9 1.379(4) .
C8 C12 1.388(4) .
C9 C10 1.375(4) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.367(4) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C18 1.381(4) .
C13 C14 1.391(4) .
C13 C19 1.510(4) .
C14 C15 1.392(4) .
C14 H14 0.9300 .
C15 C16 1.383(4) .
C15 C20 1.518(4) .
C16 C17 1.387(4) .
C16 H16 0.9300 .
C17 C18 1.378(4) .
C18 H18 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
O9 Co1 O1 C19 -102.7(3) .
O10 Co1 O1 C19 82.6(3) .
O11 Co1 O1 C19 -10.5(3) .
N1 Co1 O1 C19 169.9(3) .
O1 Co1 N1 C2 -165.5(2) .
O9 Co1 N1 C2 100.4(2) .
O10 Co1 N1 C2 -73.1(2) .
N4 Co1 N1 C2 11.5(3) 2_647
O1 Co1 N1 C3 22.1(2) .
O9 Co1 N1 C3 -72.0(2) .
O10 Co1 N1 C3 114.5(2) .
N4 Co1 N1 C3 -160.9(2) 2_647
C6 N2 N3 C7 -0.3(4) .
C3 N1 C2 C1 3.6(5) .
Co1 N1 C2 C1 -169.4(3) .
C5 C1 C2 N1 -1.9(5) .
C2 N1 C3 C4 -2.3(5) .
Co1 N1 C3 C4 170.4(2) .
N1 C3 C4 C5 -0.6(5) .
C2 C1 C5 C4 -1.1(5) .
C2 C1 C5 C6 176.7(3) .
C3 C4 C5 C1 2.3(5) .
C3 C4 C5 C6 -175.5(3) .
N3 N2 C6 O8 -0.5(4) .
N3 N2 C6 C5 178.8(3) .
C7 O8 C6 N2 1.1(3) .
C7 O8 C6 C5 -178.4(3) .
C1 C5 C6 N2 159.1(3) .
C4 C5 C6 N2 -23.2(5) .
C1 C5 C6 O8 -21.6(4) .
C4 C5 C6 O8 156.1(3) .
N2 N3 C7 O8 1.0(4) .
N2 N3 C7 C8 -177.6(3) .
C6 O8 C7 N3 -1.2(3) .
C6 O8 C7 C8 177.5(3) .
N3 C7 C8 C9 -4.5(5) .
O8 C7 C8 C9 177.1(3) .
N3 C7 C8 C12 174.1(3) .
O8 C7 C8 C12 -4.4(4) .
C12 C8 C9 C10 -0.8(5) .
C7 C8 C9 C10 177.8(3) .
C11 N4 C10 C9 0.9(5) .
Co1 N4 C10 C9 179.7(2) 2_657
C8 C9 C10 N4 -0.4(5) .
C10 N4 C11 C12 -0.4(5) .
Co1 N4 C11 C12 -179.3(3) 2_657
N4 C11 C12 C8 -0.7(5) .
C9 C8 C12 C11 1.3(5) .
C7 C8 C12 C11 -177.3(3) .
C18 C13 C14 C15 -0.1(4) .
C19 C13 C14 C15 -178.5(3) .
C13 C14 C15 C16 0.0(4) .
C13 C14 C15 C20 177.0(3) .
C14 C15 C16 C17 -0.1(4) .
C20 C15 C16 C17 -177.1(3) .
C15 C16 C17 C18 0.3(5) .
C15 C16 C17 S1 -179.8(2) .
O6 S1 C17 C18 -116.6(3) .
O5 S1 C17 C18 124.0(3) .
O7 S1 C17 C18 4.0(3) .
O6 S1 C17 C16 63.5(3) .
O5 S1 C17 C16 -55.9(3) .
O7 S1 C17 C16 -175.9(2) .
C16 C17 C18 C13 -0.4(5) .
S1 C17 C18 C13 179.7(2) .
C14 C13 C18 C17 0.3(4) .
C19 C13 C18 C17 178.7(3) .
Co1 O1 C19 O2 2.3(5) .
Co1 O1 C19 C13 -176.53(19) .
C18 C13 C19 O2 176.3(3) .
C14 C13 C19 O2 -5.3(4) .
C18 C13 C19 O1 -4.8(4) .
C14 C13 C19 O1 173.6(3) .
C16 C15 C20 O3 170.7(3) .
C14 C15 C20 O3 -6.1(4) .
C16 C15 C20 O4 -8.3(4) .
C14 C15 C20 O4 174.8(3) .
