#------------------------------------------------------------------------------
#$Date: 2017-11-04 02:03:06 +0200 (Sat, 04 Nov 2017) $
#$Revision: 202559 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/42/4514268.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_4514268
loop_
_publ_author_name
'Chen, Qiang'
'Feng, Rui'
'Xu, Jian'
'Jia, Yan-Yuan'
'Wang, Ting-Ting'
'Chang, Ze'
'Bu, Xian-He'
_publ_section_title
;
 Kinetic and Thermodynamic Control of Structure Transformations in a
 Family of Cobalt(II)-Organic Frameworks.
;
_journal_issue                   40
_journal_name_full               'ACS applied materials & interfaces'
_journal_page_first              35141
_journal_page_last               35149
_journal_paper_doi               10.1021/acsami.7b12925
_journal_volume                  9
_journal_year                    2017
_chemical_formula_sum            'C86 H80 Co3 N16 O18 S2'
_chemical_formula_weight         1866.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 102.58(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.554(4)
_cell_length_b                   27.530(6)
_cell_length_c                   14.267(3)
_cell_measurement_reflns_used    11817
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8864
_cell_measurement_theta_min      2.0592
_cell_volume                     8263(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Saturn70 (4x4 bin mode)'
_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  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            37318
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    0.728
_exptl_absorpt_correction_T_max  0.8681
_exptl_absorpt_correction_T_min  0.8681
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3860
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.601
_refine_diff_density_min         -0.784
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         9647
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0485
_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)+(0.0660P)²+5.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1246
_reflns_number_gt                7993
_reflns_number_total             9647
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            am7b12925_si_003.cif
_cod_data_source_block           BDH
_cod_original_cell_volume        8262(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4514268
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.888835(14) 0.676278(11) 0.92496(2) 0.01816(9) Uani 1 1 d . . .
Co2 Co 1.0000 0.721188(15) 1.2500 0.01772(11) Uani 1 2 d S . .
S1 S 0.94726(3) 0.760946(19) 1.04339(4) 0.01687(13) Uani 1 1 d . . .
C1 C 0.75249(11) 0.70353(9) 0.90220(18) 0.0240(5) Uani 1 1 d . . .
H1 H 0.7646 0.7330 0.9360 0.029 Uiso 1 1 calc R . .
C2 C 0.69282(12) 0.69160(8) 0.85742(18) 0.0238(5) Uani 1 1 d . . .
H2 H 0.6556 0.7106 0.8536 0.029 Uiso 1 1 calc R . .
C3 C 0.75827(10) 0.63247(8) 0.83993(17) 0.0195(5) Uani 1 1 d . . .
H3 H 0.7741 0.6027 0.8209 0.023 Uiso 1 1 calc R . .
C4 C 0.64432(10) 0.61957(8) 0.76053(17) 0.0188(5) Uani 1 1 d . . .
C5 C 0.59039(11) 0.64461(8) 0.71584(19) 0.0251(5) Uani 1 1 d . . .
H5 H 0.5887 0.6790 0.7212 0.030 Uiso 1 1 calc R . .
C6 C 0.53891(11) 0.61938(8) 0.66324(18) 0.0236(5) Uani 1 1 d . . .
H6 H 0.5016 0.6367 0.6337 0.028 Uiso 1 1 calc R . .
C7 C 0.54060(10) 0.56896(8) 0.65263(16) 0.0178(4) Uani 1 1 d . . .
C8 C 0.59715(11) 0.54517(8) 0.69513(17) 0.0199(5) Uani 1 1 d . . .
H8 H 0.6004 0.5112 0.6860 0.024 Uiso 1 1 calc R . .
C9 C 0.64845(11) 0.56968(8) 0.75009(17) 0.0199(5) Uani 1 1 d . . .
H9 H 0.6858 0.5526 0.7801 0.024 Uiso 1 1 calc R . .
C10 C 0.48260(10) 0.54170(8) 0.60517(16) 0.0168(4) Uani 1 1 d . . .
C11 C 0.43082(10) 0.56478(8) 0.54572(16) 0.0174(4) Uani 1 1 d . . .
H11 H 0.4340 0.5982 0.5306 0.021 Uiso 1 1 calc R . .
C12 C 0.37425(10) 0.53969(8) 0.50792(16) 0.0182(5) Uani 1 1 d . . .
C13 C 0.36983(11) 0.49085(8) 0.53386(17) 0.0195(5) Uani 1 1 d . . .
H13 H 0.3311 0.4738 0.5119 0.023 Uiso 1 1 calc R . .
C14 C 0.42120(11) 0.46701(8) 0.59111(16) 0.0182(5) Uani 1 1 d . . .
C15 C 0.47746(10) 0.49231(8) 0.62481(16) 0.0177(4) Uani 1 1 d . . .
H15 H 0.5131 0.4757 0.6619 0.021 Uiso 1 1 calc R . .
C16 C 0.31956(10) 0.56400(8) 0.44356(17) 0.0191(5) Uani 1 1 d . . .
C17 C 0.30936(11) 0.61397(8) 0.44836(18) 0.0227(5) Uani 1 1 d . . .
H17 H 0.3392 0.6333 0.4913 0.027 Uiso 1 1 calc R . .
C18 C 0.25612(11) 0.63584(9) 0.39117(18) 0.0243(5) Uani 1 1 d . . .
H18 H 0.2502 0.6699 0.3946 0.029 Uiso 1 1 calc R . .
C19 C 0.21207(12) 0.60811(9) 0.32960(19) 0.0256(5) Uani 1 1 d . . .
C20 C 0.22270(12) 0.55864(9) 0.3198(2) 0.0308(6) Uani 1 1 d . . .
H20 H 0.1935 0.5396 0.2751 0.037 Uiso 1 1 calc R . .
C21 C 0.27650(12) 0.53742(9) 0.37621(19) 0.0271(5) Uani 1 1 d . . .
H21 H 0.2841 0.5038 0.3686 0.033 Uiso 1 1 calc R . .
C22 C 0.07022(15) 0.64417(12) 0.1624(2) 0.0517(10) Uani 1 1 d . . .
H22 H 0.0386 0.6426 0.1045 0.062 Uiso 1 1 calc R . .
C23 C 0.12038(16) 0.61388(12) 0.1867(2) 0.0566(10) Uani 1 1 d . . .
H23 H 0.1299 0.5869 0.1507 0.068 Uiso 1 1 calc R . .
C24 C 0.12385(11) 0.66792(8) 0.30071(18) 0.0222(5) Uani 1 1 d . . .
H24 H 0.1372 0.6855 0.3589 0.027 Uiso 1 1 calc R . .
C25 C 0.41706(11) 0.41542(8) 0.61989(17) 0.0195(5) Uani 1 1 d . . .
C26 C 0.37235(12) 0.40026(9) 0.67090(19) 0.0244(5) Uani 1 1 d . . .
H26 H 0.3428 0.4230 0.6859 0.029 Uiso 1 1 calc R . .
C27 C 0.37056(12) 0.35219(9) 0.70008(18) 0.0239(5) Uani 1 1 d . . .
H27 H 0.3399 0.3420 0.7347 0.029 Uiso 1 1 calc R . .
C28 C 0.41403(11) 0.31928(8) 0.67804(17) 0.0200(5) Uani 1 1 d . . .
C29 C 0.45838(11) 0.33338(9) 0.62615(18) 0.0221(5) Uani 1 1 d . . .
H29 H 0.4873 0.3104 0.6100 0.027 Uiso 1 1 calc R . .
C30 C 0.45998(11) 0.38154(8) 0.59811(17) 0.0213(5) Uani 1 1 d . . .
H30 H 0.4908 0.3916 0.5636 0.026 Uiso 1 1 calc R . .
C31 C 0.42770(12) 0.22846(9) 0.66493(18) 0.0243(5) Uani 1 1 d . . .
H31 H 0.4389 0.2265 0.6042 0.029 Uiso 1 1 calc R . .
C32 C 0.42188(12) 0.19121(9) 0.72434(18) 0.0235(5) Uani 1 1 d . . .
H32 H 0.4279 0.1579 0.7114 0.028 Uiso 1 1 calc R . .
C33 C 0.40142(11) 0.25665(8) 0.79581(17) 0.0196(5) Uani 1 1 d . . .
H33 H 0.3908 0.2784 0.8415 0.023 Uiso 1 1 calc R . .
C34 C 0.93379(12) 0.58998(9) 0.9415(2) 0.0315(6) Uani 1 1 d . . .
C35 C 0.96704(12) 0.54292(9) 0.9712(2) 0.0318(6) Uani 1 1 d . . .
C36 C 0.96669(14) 0.50572(10) 0.9050(2) 0.0373(7) Uani 1 1 d . . .
C37 C 0.99982(14) 0.53678(10) 1.0657(2) 0.0391(7) Uani 1 1 d . . .
H37 H 0.9993 0.5620 1.1110 0.047 Uiso 1 1 calc R . .
C38 C 0.19003(17) 0.49769(16) 1.0457(3) 0.0562(9) Uani 1 1 d . . .
H38 H 0.1691 0.4691 1.0179 0.067 Uiso 1 1 calc R . .
C39 C 0.1373(2) 0.53926(19) 0.8999(3) 0.0787(14) Uani 1 1 d . . .
H39A H 0.1183 0.5070 0.8859 0.118 Uiso 1 1 calc R . .
H39B H 0.1614 0.5477 0.8513 0.118 Uiso 1 1 calc R . .
H39C H 0.1037 0.5633 0.8987 0.118 Uiso 1 1 calc R . .
C40 C 0.2139(2) 0.58325(17) 1.0244(5) 0.0971(18) Uani 1 1 d . . .
H40A H 0.2396 0.5788 1.0895 0.146 Uiso 1 1 calc R . .
H40B H 0.1837 0.6099 1.0242 0.146 Uiso 1 1 calc R . .
H40C H 0.2417 0.5910 0.9806 0.146 Uiso 1 1 calc R . .
N1 N 0.79364(9) 0.66623(7) 0.89149(14) 0.0194(4) Uani 1 1 d . . .
N2 N 0.69664(9) 0.64600(7) 0.81800(14) 0.0188(4) Uani 1 1 d . . .
N3 N 0.07195(10) 0.67763(7) 0.23467(16) 0.0270(5) Uani 1 1 d . . .
N4 N 0.15522(10) 0.62975(8) 0.27446(16) 0.0294(5) Uani 1 1 d . . .
N5 N 0.40592(9) 0.20890(7) 0.80665(14) 0.0194(4) Uani 1 1 d . . .
N6 N 0.41401(9) 0.27008(7) 0.71116(14) 0.0198(4) Uani 1 1 d . . .
N7 N 0.17927(13) 0.53894(13) 0.9932(2) 0.0587(8) Uani 1 1 d . . .
O1 O 0.88713(8) 0.73127(6) 1.01627(12) 0.0240(4) Uani 1 1 d . . .
O2 O 0.96041(8) 0.76662(6) 1.15064(11) 0.0207(3) Uani 1 1 d . . .
O3 O 0.93577(8) 0.80863(6) 1.00066(12) 0.0225(4) Uani 1 1 d . . .
O4 O 0.99846(8) 0.73451(6) 1.01549(13) 0.0262(4) Uani 1 1 d . . .
O5 O 0.93677(9) 0.62343(6) 1.00310(15) 0.0356(5) Uani 1 1 d . . .
O6 O 0.90357(9) 0.59577(7) 0.85589(15) 0.0372(5) Uani 1 1 d . . .
O7 O 0.93384(12) 0.50902(9) 0.81192(17) 0.0595(7) Uani 1 1 d . . .
O8 O 0.22432(13) 0.49398(12) 1.12556(19) 0.0775(9) Uani 1 1 d . . .
O9 O 0.7513(2) 0.78276(15) 0.7201(4) 0.0584(12) Uani 0.686(6) 1 d PD A 1
C41 C 0.7516(2) 0.74281(16) 0.6817(3) 0.0434(13) Uani 0.686(6) 1 d PD A 1
H41 H 0.7879 0.7231 0.7049 0.052 Uiso 0.686(6) 1 calc PR A 1
C42 C 0.7123(3) 0.6777(2) 0.5702(4) 0.073(2) Uani 0.686(6) 1 d PD A 1
H42A H 0.7533 0.6631 0.6001 0.109 Uiso 0.686(6) 1 calc PR A 1
H42B H 0.7094 0.6813 0.5011 0.109 Uiso 0.686(6) 1 calc PR A 1
H42C H 0.6778 0.6567 0.5809 0.109 Uiso 0.686(6) 1 calc PR A 1
C43 C 0.6498(3) 0.7504(4) 0.5729(6) 0.134(5) Uani 0.686(6) 1 d PD A 1
H43A H 0.6446 0.7763 0.6175 0.201 Uiso 0.686(6) 1 calc PR A 1
H43B H 0.6132 0.7283 0.5640 0.201 Uiso 0.686(6) 1 calc PR A 1
H43C H 0.6524 0.7645 0.5108 0.201 Uiso 0.686(6) 1 calc PR A 1
N8 N 0.7070(3) 0.7238(3) 0.6113(4) 0.075(3) Uani 0.686(6) 1 d PD A 1
O10 O 0.7222(8) 0.8047(6) 0.6706(18) 0.157(9) Uani 0.314(6) 1 d PD A 2
C44 C 0.6858(6) 0.7730(4) 0.6318(13) 0.098(7) Uani 0.314(6) 1 d PD A 2
H44 H 0.6416 0.7797 0.6199 0.117 Uiso 0.314(6) 1 calc PR A 2
C45 C 0.6581(5) 0.6976(4) 0.5472(8) 0.064(4) Uani 0.314(6) 1 d PD A 2
H45A H 0.6151 0.7065 0.5531 0.096 Uiso 0.314(6) 1 calc PR A 2
H45B H 0.6671 0.6641 0.5694 0.096 Uiso 0.314(6) 1 calc PR A 2
H45C H 0.6612 0.7002 0.4799 0.096 Uiso 0.314(6) 1 calc PR A 2
C46 C 0.7667(4) 0.7117(5) 0.6292(9) 0.064(4) Uani 0.314(6) 1 d PD A 2
H46A H 0.7785 0.6988 0.5714 0.096 Uiso 0.314(6) 1 calc PR A 2
H46B H 0.7693 0.6857 0.6768 0.096 Uiso 0.314(6) 1 calc PR A 2
H46C H 0.7958 0.7380 0.6560 0.096 Uiso 0.314(6) 1 calc PR A 2
N9 N 0.7034(4) 0.7299(3) 0.6049(6) 0.025(3) Uani 0.314(6) 1 d PD A 2
H7 H 0.921(3) 0.559(2) 0.819(5) 0.17(3) 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
O5 Co1 O1 105.68(8) . .
O5 Co1 N5 129.08(9) . 3
O1 Co1 N5 103.92(8) . 3
O5 Co1 N1 114.24(8) . .
O1 Co1 N1 95.48(8) . .
N5 Co1 N1 102.96(8) 3 .
O2 Co2 O2 99.85(10) . 2_757
O2 Co2 N3 122.10(8) . 1_656
O2 Co2 N3 103.70(8) 2_757 1_656
O2 Co2 N3 103.70(8) . 2_656
O2 Co2 N3 122.10(8) 2_757 2_656
N3 Co2 N3 106.73(13) 1_656 2_656
O3 S1 O4 114.28(10) . .
O3 S1 O2 108.17(10) . .
O4 S1 O2 110.25(10) . .
O3 S1 O1 108.95(10) . .
O4 S1 O1 108.71(10) . .
O2 S1 O1 106.16(10) . .
C2 C1 N1 109.6(2) . .
C1 C2 N2 106.2(2) . .
N1 C3 N2 110.8(2) . .
C5 C4 C9 120.8(2) . .
C5 C4 N2 119.1(2) . .
C9 C4 N2 120.1(2) . .
C4 C5 C6 119.6(2) . .
C5 C6 C7 121.4(2) . .
C6 C7 C8 117.3(2) . .
C6 C7 C10 120.7(2) . .
C8 C7 C10 121.8(2) . .
C9 C8 C7 122.0(2) . .
C8 C9 C4 118.8(2) . .
C15 C10 C11 118.4(2) . .
C15 C10 C7 119.6(2) . .
C11 C10 C7 121.8(2) . .
C10 C11 C12 121.4(2) . .
C11 C12 C13 118.3(2) . .
C11 C12 C16 121.4(2) . .
C13 C12 C16 120.3(2) . .
C14 C13 C12 121.1(2) . .
C13 C14 C15 119.4(2) . .
C13 C14 C25 121.7(2) . .
C15 C14 C25 118.9(2) . .
C14 C15 C10 121.3(2) . .
C21 C16 C17 117.6(2) . .
C21 C16 C12 120.7(2) . .
C17 C16 C12 121.7(2) . .
C18 C17 C16 121.0(2) . .
C19 C18 C17 120.0(2) . .
C18 C19 C20 120.1(2) . .
C18 C19 N4 120.5(2) . .
C20 C19 N4 119.4(2) . .
C21 C20 C19 119.2(2) . .
C20 C21 C16 121.8(2) . .
C23 C22 N3 109.3(3) . .
C22 C23 N4 106.5(3) . .
N3 C24 N4 110.9(2) . .
C26 C25 C30 118.9(2) . .
C26 C25 C14 121.4(2) . .
C30 C25 C14 119.6(2) . .
C27 C26 C25 120.6(2) . .
C28 C27 C26 119.3(2) . .
C29 C28 C27 121.1(2) . .
C29 C28 N6 119.4(2) . .
C27 C28 N6 119.6(2) . .
C28 C29 C30 119.0(2) . .
C29 C30 C25 121.0(2) . .
C32 C31 N6 105.7(2) . .
C31 C32 N5 109.8(2) . .
N5 C33 N6 110.7(2) . .
O6 C34 O5 121.2(2) . .
O6 C34 C35 119.8(3) . .
O5 C34 C35 119.0(2) . .
C37 C35 C36 119.7(2) . .
C37 C35 C34 119.4(3) . .
C36 C35 C34 120.9(3) . .
O7 C36 C37 118.3(3) . 5_767
O7 C36 C35 122.4(2) . .
C37 C36 C35 119.3(3) 5_767 .
C35 C37 C36 121.0(3) . 5_767
O8 C38 N7 125.7(4) . .
C3 N1 C1 106.08(19) . .
C3 N1 Co1 131.40(16) . .
C1 N1 Co1 120.88(15) . .
C3 N2 C2 107.37(19) . .
C3 N2 C4 127.05(19) . .
C2 N2 C4 125.52(19) . .
C24 N3 C22 106.2(2) . .
C24 N3 Co2 126.57(18) . 1_454
C22 N3 Co2 125.79(18) . 1_454
C24 N4 C23 107.0(2) . .
C24 N4 C19 126.4(2) . .
C23 N4 C19 126.6(2) . .
C33 N5 C32 106.02(19) . .
C33 N5 Co1 121.19(16) . 3_445
C32 N5 Co1 132.78(16) . 3_445
C33 N6 C31 107.80(19) . .
C33 N6 C28 124.7(2) . .
C31 N6 C28 127.5(2) . .
C38 N7 C39 121.0(4) . .
C38 N7 C40 121.5(4) . .
C39 N7 C40 117.2(4) . .
S1 O1 Co1 116.07(10) . .
S1 O2 Co2 129.16(10) . .
C34 O5 Co1 101.70(17) . .
O9 C41 N8 127.7(5) . .
C41 N8 C42 123.7(6) . .
C41 N8 C43 120.3(6) . .
C42 N8 C43 116.0(6) . .
O10 C44 N9 125.1(12) . .
C44 N9 C46 124.3(7) . .
C44 N9 C45 121.1(7) . .
C46 N9 C45 114.7(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O5 1.9813(18) .
Co1 O1 2.0028(17) .
Co1 N5 2.015(2) 3
Co1 N1 2.022(2) .
Co2 O2 1.9430(16) .
Co2 O2 1.9430(17) 2_757
Co2 N3 2.010(2) 1_656
Co2 N3 2.010(2) 2_656
S1 O3 1.4458(16) .
S1 O4 1.4483(18) .
S1 O2 1.5024(17) .
S1 O1 1.5094(17) .
C1 C2 1.346(4) .
C1 N1 1.387(3) .
C2 N2 1.386(3) .
C3 N1 1.320(3) .
C3 N2 1.349(3) .
C4 C5 1.382(3) .
C4 C9 1.387(3) .
C4 N2 1.439(3) .
C5 C6 1.384(3) .
C6 C7 1.398(3) .
C7 C8 1.400(3) .
C7 C10 1.489(3) .
C8 C9 1.384(3) .
C10 C15 1.398(3) .
C10 C11 1.399(3) .
C11 C12 1.403(3) .
C12 C13 1.403(3) .
C12 C16 1.486(3) .
C13 C14 1.389(3) .
C14 C15 1.390(3) .
C14 C25 1.487(3) .
C16 C21 1.390(3) .
C16 C17 1.397(3) .
C17 C18 1.392(3) .
C18 C19 1.376(3) .
C19 C20 1.393(3) .
C19 N4 1.434(3) .
C20 C21 1.388(3) .
C22 C23 1.350(4) .
C22 N3 1.377(3) .
C23 N4 1.383(3) .
C24 N3 1.323(3) .
C24 N4 1.346(3) .
C25 C26 1.392(3) .
C25 C30 1.396(3) .
C26 C27 1.390(3) .
C27 C28 1.388(3) .
C28 C29 1.386(3) .
C28 N6 1.435(3) .
C29 C30 1.387(3) .
C31 C32 1.354(3) .
C31 N6 1.385(3) .
C32 N5 1.382(3) .
C33 N5 1.325(3) .
C33 N6 1.346(3) .
C34 O6 1.264(3) .
C34 O5 1.264(3) .
C34 C35 1.496(3) .
C35 C37 1.390(4) .
C35 C36 1.392(4) .
C36 O7 1.365(4) .
C36 C37 1.391(4) 5_767
C37 C36 1.391(4) 5_767
C38 O8 1.220(4) .
C38 N7 1.352(5) .
C39 N7 1.437(5) .
C40 N7 1.448(5) .
N3 Co2 2.010(2) 1_454
N5 Co1 2.015(2) 3_445
O9 C41 1.229(5) .
C41 N8 1.337(7) .
C42 N8 1.413(7) .
C43 N8 1.437(7) .
O10 C44 1.222(9) .
C44 N9 1.328(8) .
C45 N9 1.440(8) .
C46 N9 1.422(8) .
