#------------------------------------------------------------------------------
#$Date: 2017-11-04 02:03:06 +0200 (Sat, 04 Nov 2017) $
#$Revision: 202559 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/42/4514275.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_4514275
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 H52 Co3 N15 O15 S2'
_chemical_formula_weight         1776.34
_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                 105.3250(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.0702(15)
_cell_length_b                   27.4461(17)
_cell_length_c                   14.1594(10)
_cell_measurement_reflns_used    12677
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     8272.0(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_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  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0156
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            52567
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    0.720
_exptl_absorpt_correction_T_max  0.8813
_exptl_absorpt_correction_T_min  0.8693
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3624
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.919
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         10250
_refine_ls_number_restraints     150
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0748
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1542P)²+26.8053P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2341
_refine_ls_wR_factor_ref         0.2444
_reflns_number_gt                8590
_reflns_number_total             10250
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            am7b12925_si_003.cif
_cod_data_source_block           BP-DMAC
_cod_original_cell_volume        8271.9(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4514275
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
C1 C 0.2581(2) 0.20611(15) 0.3978(4) 0.0528(11) Uani 1 1 d .
H1 H 0.2717 0.2355 0.4323 0.063 Uiso 1 1 calc R
C2 C 0.1976(2) 0.19486(15) 0.3545(4) 0.0542(11) Uani 1 1 d .
H2 H 0.1617 0.2144 0.3517 0.065 Uiso 1 1 calc R
C3 C 0.25981(17) 0.13608(12) 0.3323(3) 0.0377(8) Uani 1 1 d .
H3 H 0.2740 0.1069 0.3092 0.045 Uiso 1 1 calc R
C4 C 0.14571(16) 0.12235(12) 0.2610(3) 0.0372(7) Uani 1 1 d .
C5 C 0.0917(2) 0.14706(13) 0.2133(4) 0.0566(13) Uani 1 1 d .
H5 H 0.0904 0.1816 0.2154 0.068 Uiso 1 1 calc R
C6 C 0.03929(18) 0.12104(13) 0.1622(4) 0.0486(10) Uani 1 1 d .
H6 H 0.0020 0.1382 0.1308 0.058 Uiso 1 1 calc R
C7 C 0.04011(15) 0.07061(11) 0.1560(2) 0.0291(6) Uani 1 1 d .
C8 C 0.09556(16) 0.04655(11) 0.2024(3) 0.0353(7) Uani 1 1 d .
H8 H 0.0975 0.0121 0.1974 0.042 Uiso 1 1 calc R
C9 C 0.14806(16) 0.07184(12) 0.2558(3) 0.0356(7) Uani 1 1 d .
H9 H 0.1851 0.0548 0.2884 0.043 Uiso 1 1 calc R
C10 C -0.01765(15) 0.04378(11) 0.1058(2) 0.0277(6) Uani 1 1 d .
C11 C -0.06896(16) 0.06793(11) 0.0447(2) 0.0307(6) Uani 1 1 d .
H11 H -0.0657 0.1017 0.0320 0.037 Uiso 1 1 calc R
C12 C -0.12480(16) 0.04345(12) 0.0021(3) 0.0355(7) Uani 1 1 d .
C13 C -0.13039(16) -0.00610(12) 0.0228(3) 0.0373(7) Uani 1 1 d .
H13 H -0.1688 -0.0227 -0.0041 0.045 Uiso 1 1 calc R
C14 C -0.07951(16) -0.03083(11) 0.0829(2) 0.0314(6) Uani 1 1 d .
C15 C -0.02338(15) -0.00613(11) 0.1219(2) 0.0289(6) Uani 1 1 d .
H15 H 0.0118 -0.0235 0.1603 0.035 Uiso 1 1 calc R
C16 C -0.17816(17) 0.07023(13) -0.0638(3) 0.0418(8) Uani 1 1 d .
C17 C -0.1900(2) 0.11770(15) -0.0484(4) 0.0498(10) Uani 1 1 d .
H17 H -0.1621 0.1348 0.0037 0.060 Uiso 1 1 calc R
C18 C -0.2418(2) 0.14202(15) -0.1069(4) 0.0536(11) Uani 1 1 d .
H18 H -0.2487 0.1753 -0.0943 0.064 Uiso 1 1 calc R
C19 C -0.28207(19) 0.11879(14) -0.1808(3) 0.0490(10) Uani 1 1 d .
C20 C -0.2667(2) 0.07151(16) -0.2101(3) 0.0501(10) Uani 1 1 d .
H20 H -0.2911 0.0569 -0.2686 0.060 Uiso 1 1 calc R
C21 C -0.2155(2) 0.04758(15) -0.1510(3) 0.0473(9) Uani 1 1 d .
H21 H -0.2049 0.0159 -0.1684 0.057 Uiso 1 1 calc R
C22 C -0.4188(3) 0.1630(2) -0.3576(4) 0.0672(14) Uani 1 1 d .
H22 H -0.4469 0.1674 -0.4207 0.081 Uiso 1 1 calc R
C23 C -0.3652(3) 0.1366(2) -0.3389(4) 0.0643(13) Uani 1 1 d .
H23 H -0.3489 0.1185 -0.3839 0.077 Uiso 1 1 calc R
C24 C -0.3780(3) 0.16871(17) -0.2017(4) 0.0606(13) Uani 1 1 d .
H24 H -0.3714 0.1764 -0.1343 0.073 Uiso 1 1 calc R
C25 C -0.08446(16) -0.08288(11) 0.1087(2) 0.0326(7) Uani 1 1 d .
C26 C -0.1322(2) -0.09842(14) 0.1491(4) 0.0483(10) Uani 1 1 d .
H26 H -0.1632 -0.0760 0.1573 0.058 Uiso 1 1 calc R
C27 C -0.1347(2) -0.14679(14) 0.1774(4) 0.0485(10) Uani 1 1 d .
H27 H -0.1669 -0.1573 0.2060 0.058 Uiso 1 1 calc R
C28 C -0.09022(18) -0.17951(11) 0.1637(3) 0.0358(7) Uani 1 1 d .
C29 C -0.04327(17) -0.16511(13) 0.1220(3) 0.0378(7) Uani 1 1 d .
H29 H -0.0134 -0.1880 0.1116 0.045 Uiso 1 1 calc R
C30 C -0.04042(17) -0.11665(12) 0.0954(3) 0.0357(7) Uani 1 1 d .
H30 H -0.0078 -0.1063 0.0677 0.043 Uiso 1 1 calc R
C31 C -0.0821(3) -0.30791(14) 0.2137(3) 0.0515(10) Uani 1 1 d .
H31 H -0.0758 -0.3414 0.2020 0.062 Uiso 1 1 calc R
C32 C -0.0778(3) -0.27039(14) 0.1521(3) 0.0520(10) Uani 1 1 d .
H32 H -0.0676 -0.2726 0.0911 0.062 Uiso 1 1 calc R
C33 C -0.10234(17) -0.24166(12) 0.2827(3) 0.0370(7) Uani 1 1 d .
H33 H -0.1124 -0.2196 0.3279 0.044 Uiso 1 1 calc R
C34 C 0.4368(2) 0.09127(15) 0.4331(4) 0.0587(13) Uani 1 1 d .
C35 C 0.4699(2) 0.04386(16) 0.4681(5) 0.0639(14) Uani 1 1 d .
C36 C 0.5127(3) 0.04098(18) 0.5602(5) 0.0767(18) Uani 1 1 d .
H36 H 0.5214 0.0689 0.6011 0.092 Uiso 1 1 calc R
C37 C 0.4572(3) 0.00331(18) 0.4082(5) 0.0727(16) Uani 1 1 d .
H37 H 0.4281 0.0055 0.3456 0.087 Uiso 1 1 calc R
C38 C 0.6673(6) 0.0462(4) 0.4767(12) 0.39(3) Uani 1 1 d D
C39 C 0.7099(8) 0.0613(6) 0.5636(12) 0.208(8) Uani 1 1 d DU
C40 C 0.6138(7) -0.0144(6) 0.3603(10) 0.192(5) Uani 1 1 d DU
C41 C 0.6915(5) -0.0367(4) 0.5232(8) 0.144(3) Uani 1 1 d DU
C42 C 0.2130(12) 0.1828(9) 0.0943(17) 0.194(7) Uani 0.50 1 d PDU
C43 C 0.2088(16) 0.2725(9) 0.081(2) 0.198(7) Uani 0.50 1 d PDU
C44 C 0.2564(10) 0.2274(8) -0.0242(16) 0.187(5) Uani 0.50 1 d PDU
C45 C 0.2717(17) 0.2716(9) -0.073(2) 0.196(6) Uani 0.50 1 d PDU
Co1 Co 0.39179(2) 0.177343(15) 0.41634(4) 0.03366(16) Uani 1 1 d .
Co2 Co 0.5000 0.22279(2) 0.7500 0.0395(2) Uani 1 2 d S
N1 N 0.29713(14) 0.16917(10) 0.3852(2) 0.0358(6) Uani 1 1 d .
N2 N 0.19904(14) 0.14898(10) 0.3153(3) 0.0401(7) Uani 1 1 d .
N3 N -0.42729(17) 0.18319(11) -0.2700(3) 0.0488(9) Uani 1 1 d .
N4 N -0.33854(16) 0.14229(13) -0.2362(3) 0.0498(9) Uani 1 1 d .
N5 N -0.09699(15) -0.28963(10) 0.2951(2) 0.0387(7) Uani 1 1 d .
N6 N -0.09138(15) -0.22886(10) 0.1967(2) 0.0369(6) Uani 1 1 d .
N7 N 0.6609(5) 0.0045(5) 0.4549(8) 0.169(3) Uani 1 1 d DU
N8 N 0.2296(11) 0.2263(8) 0.0439(17) 0.193(5) Uani 0.50 1 d PDU
O1 O 0.44469(16) 0.12597(10) 0.4948(3) 0.0644(10) Uani 1 1 d .
O2 O 0.40261(17) 0.09603(12) 0.3490(3) 0.0609(9) Uani 1 1 d .
O3 O 0.38944(14) 0.23098(10) 0.5117(2) 0.0454(6) Uani 1 1 d .
O4 O 0.46277(14) 0.26916(9) 0.6473(2) 0.0434(6) Uani 1 1 d .
O5 O 0.42985(15) 0.31088(9) 0.4941(2) 0.0475(7) Uani 1 1 d .
O6 O 0.49672(14) 0.24004(11) 0.5076(2) 0.0478(7) Uani 1 1 d .
O7 O 0.6346(9) 0.0778(7) 0.4143(14) 0.396(12) Uani 1 1 d DU
O8 O 0.2708(9) 0.1855(7) -0.0478(14) 0.181(5) Uani 0.50 1 d PDU
S1 S 0.44620(4) 0.26342(3) 0.53835(6) 0.0330(2) 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
C2 C1 N1 110.6(3) . .
C1 C2 N2 105.5(3) . .
N1 C3 N2 111.3(3) . .
C5 C4 C9 120.2(3) . .
C5 C4 N2 119.6(3) . .
C9 C4 N2 120.2(3) . .
C4 C5 C6 119.6(3) . .
C7 C6 C5 121.6(3) . .
C6 C7 C8 117.9(3) . .
C6 C7 C10 120.2(3) . .
C8 C7 C10 121.9(3) . .
C9 C8 C7 121.4(3) . .
C4 C9 C8 119.3(3) . .
C11 C10 C15 118.1(3) . .
C11 C10 C7 121.0(3) . .
C15 C10 C7 120.8(3) . .
C12 C11 C10 121.2(3) . .
C11 C12 C13 119.6(3) . .
C11 C12 C16 119.7(3) . .
C13 C12 C16 120.7(3) . .
C14 C13 C12 119.9(3) . .
C15 C14 C13 119.6(3) . .
C15 C14 C25 119.1(3) . .
C13 C14 C25 121.3(3) . .
C14 C15 C10 121.4(3) . .
C17 C16 C21 117.6(3) . .
C17 C16 C12 121.8(4) . .
C21 C16 C12 120.4(3) . .
C16 C17 C18 121.8(4) . .
C19 C18 C17 120.4(4) . .
C18 C19 C20 119.9(4) . .
C18 C19 N4 120.8(4) . .
C20 C19 N4 119.1(4) . .
C21 C20 C19 118.3(4) . .
C20 C21 C16 120.5(4) . .
C23 C22 N3 110.4(4) . .
C22 C23 N4 104.2(5) . .
N3 C24 N4 113.1(4) . .
C30 C25 C26 118.9(3) . .
C30 C25 C14 120.5(3) . .
C26 C25 C14 120.6(3) . .
C25 C26 C27 120.1(4) . .
C28 C27 C26 119.7(4) . .
C29 C28 C27 121.1(3) . .
C29 C28 N6 119.4(3) . .
C27 C28 N6 119.5(3) . .
C28 C29 C30 118.9(3) . .
C29 C30 C25 121.2(3) . .
C32 C31 N5 109.4(3) . .
C31 C32 N6 105.7(4) . .
N5 C33 N6 110.2(3) . .
O2 C34 O1 121.3(4) . .
O2 C34 C35 121.7(5) . .
O1 C34 C35 116.9(5) . .
C37 C35 C36 120.3(4) . .
C37 C35 C34 119.4(5) . .
C36 C35 C34 120.3(5) . .
C35 C36 C37 119.7(5) . 5_656
C35 C37 C36 120.0(5) . 5_656
N7 C38 O7 117.3(15) . .
N7 C38 C39 121.5(13) . .
O7 C38 C39 121.3(12) . .
C45 C42 N8 17(2) 7 .
C44 C43 C45 71(2) 7 7
C44 C43 O8 57.3(15) 7 7
C45 C43 O8 127(3) 7 7
C44 C43 N8 58.3(16) 7 .
C45 C43 N8 16(2) 7 .
O8 C43 N8 115.6(19) 7 .
C43 C44 N8 171(3) 7 .
C43 C44 O8 65.9(17) 7 .
N8 C44 O8 112.6(17) . .
C43 C44 N8 70(2) 7 7
N8 C44 N8 111(2) . 7
O8 C44 N8 136(2) . 7
C43 C44 C45 56.0(17) 7 .
N8 C44 C45 126.2(17) . .
O8 C44 C45 121.2(14) . .
N8 C44 C45 17(2) 7 .
C43 C44 C44 121(3) 7 7
N8 C44 C44 58.7(16) . 7
O8 C44 C44 168(2) . 7
N8 C44 C44 52.4(15) 7 7
C45 C44 C44 67.9(18) . 7
C43 C44 C45 165(4) 7 7
N8 C44 C45 6.3(19) . 7
O8 C44 C45 114.4(18) . 7
N8 C44 C45 108(3) 7 7
C45 C44 C45 123.9(15) . 7
C44 C44 C45 56.0(15) 7 7
N8 C45 C43 109(6) 7 7
N8 C45 C42 100(5) 7 7
C43 C45 C42 137(3) 7 7
N8 C45 C44 65(5) 7 .
C43 C45 C44 53.2(18) 7 .
C42 C45 C44 165(2) 7 .
N8 C45 C44 19(5) 7 7
C43 C45 C44 107(2) 7 7
C42 C45 C44 110(2) 7 7
C44 C45 C44 56.1(15) . 7
O1 Co1 O3 105.16(15) . .
O1 Co1 N5 127.83(16) . 3
O3 Co1 N5 105.93(12) . 3
O1 Co1 N1 117.68(13) . .
O3 Co1 N1 91.09(12) . .
N5 Co1 N1 102.48(13) 3 .
O4 Co2 O4 98.20(15) 2_656 .
O4 Co2 N3 116.22(15) 2_656 2
O4 Co2 N3 105.25(13) . 2
O4 Co2 N3 105.25(13) 2_656 1_656
O4 Co2 N3 116.22(15) . 1_656
N3 Co2 N3 114.9(2) 2 1_656
C3 N1 C1 105.3(3) . .
C3 N1 Co1 130.7(3) . .
C1 N1 Co1 122.4(2) . .
C3 N2 C2 107.2(3) . .
C3 N2 C4 127.1(3) . .
C2 N2 C4 125.6(3) . .
C24 N3 C22 104.6(4) . .
C24 N3 Co2 126.4(4) . 1_454
C22 N3 Co2 128.9(3) . 1_454
C24 N4 C23 107.6(4) . .
C24 N4 C19 127.2(4) . .
C23 N4 C19 124.9(4) . .
C33 N5 C31 106.5(3) . .
C33 N5 Co1 122.1(3) . 3_445
C31 N5 Co1 131.4(2) . 3_445
C33 N6 C32 108.2(3) . .
C33 N6 C28 124.3(3) . .
C32 N6 C28 127.4(3) . .
C38 N7 C41 123.3(12) . .
C38 N7 C40 123.7(12) . .
C41 N7 C40 112.5(10) . .
C45 N8 C44 155(7) 7 .
C45 N8 C44 99(5) 7 7
C44 N8 C44 69(2) . 7
C45 N8 C42 64(5) 7 .
C44 N8 C42 127.8(17) . .
C44 N8 C42 162(2) 7 .
C45 N8 C43 56(5) 7 .
C44 N8 C43 120.3(16) . .
C44 N8 C43 52.0(19) 7 .
C42 N8 C43 112.0(14) . .
C34 O1 Co1 101.2(3) . .
S1 O3 Co1 115.81(18) . .
S1 O4 Co2 129.95(16) . .
C44 O8 C43 56.9(18) . 7
O6 S1 O5 113.06(19) . .
O6 S1 O4 110.98(17) . .
O5 S1 O4 108.43(16) . .
O6 S1 O3 108.61(18) . .
O5 S1 O3 109.19(17) . .
O4 S1 O3 106.34(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.349(6) .
C1 N1 1.373(5) .
C2 N2 1.380(5) .
C3 N1 1.318(4) .
C3 N2 1.346(5) .
C4 C5 1.383(5) .
C4 C9 1.390(4) .
C4 N2 1.426(4) .
C5 C6 1.389(5) .
C6 C7 1.387(4) .
C7 C8 1.393(4) .
C7 C10 1.481(4) .
C8 C9 1.390(5) .
C10 C11 1.397(4) .
C10 C15 1.400(4) .
C11 C12 1.393(5) .
C12 C13 1.403(4) .
C12 C16 1.489(4) .
C13 C14 1.393(4) .
C14 C15 1.392(4) .
C14 C25 1.486(4) .
C16 C17 1.358(5) .
C16 C21 1.433(6) .
C17 C18 1.393(6) .
C18 C19 1.341(6) .
C19 C20 1.430(6) .
C19 N4 1.438(5) .
C20 C21 1.382(6) .
C22 C23 1.353(7) .
C22 N3 1.415(7) .
C23 N4 1.426(6) .
C24 N3 1.312(5) .
C24 N4 1.323(6) .
C25 C30 1.391(5) .
C25 C26 1.392(5) .
C26 C27 1.392(5) .
C27 C28 1.382(6) .
C28 C29 1.379(5) .
C28 N6 1.435(4) .
C29 C30 1.388(4) .
C31 C32 1.369(5) .
C31 N5 1.374(6) .
C32 N6 1.374(5) .
C33 N5 1.329(4) .
C33 N6 1.349(5) .
C34 O2 1.237(6) .
C34 O1 1.273(7) .
C34 C35 1.510(5) .
C35 C37 1.382(8) .
C35 C36 1.396(8) .
C36 C37 1.400(6) 5_656
C37 C36 1.400(6) 5_656
C38 N7 1.183(13) .
C38 O7 1.310(15) .
C38 C39 1.399(16) .
C40 N7 1.552(13) .
C41 N7 1.524(11) .
C42 C45 1.35(3) 7
C42 N8 1.484(16) .
C43 C44 1.26(4) 7
C43 C45 1.30(4) 7
C43 O8 1.37(3) 7
C43 N8 1.493(17) .
C44 C43 1.26(4) 7
C44 N8 1.257(16) .
C44 O8 1.261(15) .
C44 N8 1.36(3) 7
C44 C45 1.481(16) .
C44 C44 1.48(4) 7
C44 C45 1.66(4) 7
C45 N8 0.43(5) 7
C45 C43 1.30(4) 7
C45 C42 1.35(3) 7
C45 C44 1.66(4) 7
Co1 O1 1.975(3) .
Co1 O3 2.008(3) .
Co1 N5 2.014(3) 3
Co1 N1 2.030(3) .
Co2 O4 1.944(3) 2_656
Co2 O4 1.944(3) .
Co2 N3 2.019(4) 2
Co2 N3 2.019(4) 1_656
N3 Co2 2.019(4) 1_454
N5 Co1 2.014(3) 3_445
N8 C45 0.43(5) 7
N8 C44 1.36(3) 7
O3 S1 1.501(3) .
O4 S1 1.497(3) .
O5 S1 1.449(3) .
O6 S1 1.449(3) .
O8 C43 1.37(3) 7
