#------------------------------------------------------------------------------
#$Date: 2017-09-27 16:12:17 +0300 (Wed, 27 Sep 2017) $
#$Revision: 201370 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/20/79/7207977.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_7207977
loop_
_publ_author_name
'Wang, Xiu-Li'
'Hou, Li-Li'
'Zhang, Ju-Wen'
'Zhang, Jin-Xia'
'Liu, Guo-Cheng'
'Yang, Song'
_publ_section_title
;
 Assembly and properties of coordination polymers modulated by substituted
 1,3-benzenedicarboxylates
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              3936
_journal_paper_doi               10.1039/c2ce06734j
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C88 H88 Co3 N16 O18 S2'
_chemical_formula_sum            'C88 H88 Co3 N16 O18 S2'
_chemical_formula_weight         1898.65
_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                 99.9690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   45.497(2)
_cell_length_b                   10.5235(5)
_cell_length_c                   19.0900(9)
_cell_measurement_reflns_used    6034
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.5043
_cell_measurement_theta_min      2.3675
_cell_volume                     9002.1(7)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0433
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28951
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.37
_exptl_absorpt_coefficient_mu    0.669
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_correction_T_min  0.829
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ' SADABS, Sheldrick, 1996'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3916
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.505
_refine_diff_density_min         -0.460
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     583
_refine_ls_number_reflns         7927
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0400
_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)+(0.0531P)²+2.7348P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1096
_reflns_number_gt                5990
_reflns_number_total             7927
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce06734j.txt
_cod_data_source_block           hll-2
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        9002.0(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7207977
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
O2W O 0.0284(2) 0.5464(12) 0.7897(7) 0.308(11) Uani 0.50 1 d P
O1W O 0.00693(19) 0.3231(8) 0.6852(5) 0.160(4) Uani 0.50 1 d P
C44 C 0.24143(7) 0.3055(3) 0.98081(17) 0.0455(8) Uani 1 1 d .
H44A H 0.2511 0.3325 0.9419 0.055 Uiso 1 1 calc R
H44B H 0.2214 0.2781 0.9608 0.055 Uiso 1 1 calc R
N4 N 0.13721(5) 1.2720(2) 0.53525(12) 0.0319(5) Uani 1 1 d .
C15 C 0.15502(6) 1.1904(3) 0.57392(15) 0.0349(7) Uani 1 1 d .
H15 H 0.1693 1.1429 0.5560 0.042 Uiso 1 1 calc R
N3 N 0.15066(5) 1.1821(2) 0.64193(12) 0.0381(6) Uani 1 1 d .
C16 C 0.16446(7) 1.0898(3) 0.69488(17) 0.0500(9) Uani 1 1 d .
H16A H 0.1693 1.1310 0.7409 0.060 Uiso 1 1 calc R
H16B H 0.1829 1.0594 0.6820 0.060 Uiso 1 1 calc R
C45 C 0.14400(8) 0.9783(3) 0.70014(18) 0.0545(9) Uani 1 1 d .
H45A H 0.1256 1.0099 0.7131 0.065 Uiso 1 1 calc R
H45B H 0.1534 0.9231 0.7382 0.065 Uiso 1 1 calc R
Co1 Co 0.0000 -0.01766(5) 0.7500 0.02824(14) Uani 1 2 d S
O1 O 0.12735(4) 0.50689(17) 0.93712(10) 0.0325(5) Uani 1 1 d .
N1 N 0.13590(5) 0.6633(2) 0.81588(12) 0.0337(6) Uani 1 1 d .
C1 C 0.14851(7) 0.6239(3) 0.70764(16) 0.0381(7) Uani 1 1 d .
Co2 Co 0.139131(7) 0.69745(3) 0.927334(18) 0.02591(11) Uani 1 1 d .
N2 N 0.12575(5) 0.7125(2) 0.70060(12) 0.0391(6) Uani 1 1 d .
O2 O 0.07952(4) 0.50883(19) 0.88646(13) 0.0513(6) Uani 1 1 d .
C2 C 0.15418(6) 0.5907(3) 0.77960(15) 0.0345(7) Uani 1 1 d .
S3 S 0.166401(15) 0.02849(7) 0.92588(4) 0.03281(18) Uani 1 1 d .
O3 O 0.05670(4) -0.0720(2) 0.80440(10) 0.0408(5) Uani 1 1 d .
C3 C 0.17487(7) 0.4963(3) 0.80326(17) 0.0448(8) Uani 1 1 d .
H3 H 0.1783 0.4699 0.8505 0.054 Uiso 1 1 calc R
O4 O 0.03170(4) 0.10810(18) 0.78511(10) 0.0377(5) Uani 1 1 d .
C4 C 0.19023(8) 0.4430(4) 0.75414(19) 0.0564(9) Uani 1 1 d .
H4 H 0.2042 0.3798 0.7687 0.068 Uiso 1 1 calc R
N5 N 0.18482(4) 0.6483(2) 0.94976(12) 0.0288(5) Uani 1 1 d .
C5 C 0.18517(8) 0.4819(4) 0.6835(2) 0.0610(10) Uani 1 1 d .
H5 H 0.1965 0.4462 0.6524 0.073 Uiso 1 1 calc R
O5 O 0.15627(4) -0.10350(18) 0.91921(11) 0.0416(5) Uani 1 1 d .
N6 N 0.22340(5) 0.5239(2) 0.99338(13) 0.0346(6) Uani 1 1 d .
C6 C 0.16407(8) 0.5710(3) 0.65829(18) 0.0532(9) Uani 1 1 d .
H6 H 0.1604 0.5949 0.6107 0.064 Uiso 1 1 calc R
O6 O 0.18466(4) 0.0631(2) 0.87459(12) 0.0493(6) Uani 1 1 d .
N7 N 0.00752(5) -0.1049(2) 0.66121(13) 0.0371(6) Uani 1 1 d .
C7 C 0.11961(6) 0.7314(3) 0.76641(15) 0.0374(7) Uani 1 1 d .
H7 H 0.1051 0.7878 0.7758 0.045 Uiso 1 1 calc R
O7 O 0.17894(4) 0.0625(2) 0.99802(11) 0.0498(6) Uani 1 1 d .
N8 N -0.00023(6) -0.2278(3) 0.56499(14) 0.0469(7) Uani 1 1 d .
C8 C 0.11512(8) 0.7925(3) 0.63843(16) 0.0504(9) Uani 1 1 d .
H8A H 0.0957 0.8269 0.6422 0.060 Uiso 1 1 calc R
H8B H 0.1129 0.7410 0.5957 0.060 Uiso 1 1 calc R
O8 O 0.09155(4) 0.75199(19) 0.90513(10) 0.0377(5) Uani 1 1 d .
H8C H 0.0808 0.6859 0.8959 0.057 Uiso 1 1 d R
H8D H 0.0871 0.7890 0.9416 0.057 Uiso 1 1 d R
C9 C 0.12780(6) 1.2651(3) 0.64872(15) 0.0371(7) Uani 1 1 d .
C10 C 0.11942(6) 1.3215(3) 0.58180(14) 0.0329(7) Uani 1 1 d .
C11 C 0.09654(6) 1.4105(3) 0.57127(16) 0.0415(8) Uani 1 1 d .
H11 H 0.0903 1.4479 0.5270 0.050 Uiso 1 1 calc R
C12 C 0.08338(7) 1.4414(4) 0.62878(18) 0.0551(9) Uani 1 1 d .
H12 H 0.0681 1.5011 0.6231 0.066 Uiso 1 1 calc R
C13 C 0.09239(8) 1.3855(4) 0.69517(18) 0.0600(10) Uani 1 1 d .
H13 H 0.0831 1.4098 0.7328 0.072 Uiso 1 1 calc R
C14 C 0.11444(7) 1.2961(3) 0.70645(17) 0.0509(9) Uani 1 1 d .
H14 H 0.1202 1.2579 0.7506 0.061 Uiso 1 1 calc R
C18 C 0.23365(6) 0.6073(3) 0.94689(16) 0.0352(7) Uani 1 1 d .
C19 C 0.20946(6) 0.6851(3) 0.91962(15) 0.0297(6) Uani 1 1 d .
C20 C 0.21248(6) 0.7764(3) 0.86963(16) 0.0391(7) Uani 1 1 d .
H20 H 0.1965 0.8281 0.8505 0.047 Uiso 1 1 calc R
C21 C 0.23978(7) 0.7887(3) 0.84902(19) 0.0530(9) Uani 1 1 d .
H21 H 0.2423 0.8498 0.8154 0.064 Uiso 1 1 calc R
C22 C 0.26379(7) 0.7114(3) 0.8776(2) 0.0584(10) Uani 1 1 d .
H22 H 0.2820 0.7233 0.8628 0.070 Uiso 1 1 calc R
C23 C 0.26145(6) 0.6191(3) 0.92640(19) 0.0504(9) Uani 1 1 d .
H23 H 0.2775 0.5671 0.9449 0.061 Uiso 1 1 calc R
C24 C 0.19451(6) 0.5533(3) 0.99162(15) 0.0330(7) Uani 1 1 d .
H24 H 0.1824 0.5096 1.0180 0.040 Uiso 1 1 calc R
C25 C 0.23982(6) 0.4165(3) 1.03043(16) 0.0421(8) Uani 1 1 d .
H25A H 0.2300 0.3895 1.0692 0.051 Uiso 1 1 calc R
H25B H 0.2599 0.4436 1.0506 0.051 Uiso 1 1 calc R
C26 C 0.13173(6) 0.2460(3) 0.91678(14) 0.0297(6) Uani 1 1 d .
H26 H 0.1485 0.2881 0.9406 0.036 Uiso 1 1 calc R
C27 C 0.10507(6) 0.3128(3) 0.89491(14) 0.0273(6) Uani 1 1 d .
C28 C 0.08017(5) 0.2475(3) 0.86039(13) 0.0276(6) Uani 1 1 d .
H28 H 0.0623 0.2908 0.8468 0.033 Uiso 1 1 calc R
C29 C 0.08157(5) 0.1191(3) 0.84591(13) 0.0271(6) Uani 1 1 d .
C30 C 0.10823(6) 0.0547(3) 0.86745(14) 0.0288(6) Uani 1 1 d .
H30 H 0.1093 -0.0316 0.8578 0.035 Uiso 1 1 calc R
C31 C 0.13303(5) 0.1169(3) 0.90283(14) 0.0275(6) Uani 1 1 d .
C32 C 0.10372(6) 0.4540(3) 0.90714(14) 0.0310(6) Uani 1 1 d .
C33 C 0.05530(6) 0.0452(3) 0.80960(14) 0.0303(6) Uani 1 1 d .
C36 C 0.02087(7) -0.1393(3) 0.55287(16) 0.0439(8) Uani 1 1 d .
C37 C 0.02555(6) -0.0622(3) 0.61373(15) 0.0361(7) Uani 1 1 d .
C38 C 0.04503(7) 0.0398(3) 0.61835(17) 0.0460(8) Uani 1 1 d .
H38 H 0.0482 0.0921 0.6582 0.055 Uiso 1 1 calc R
C39 C 0.05946(8) 0.0607(4) 0.56192(19) 0.0594(10) Uani 1 1 d .
H39 H 0.0728 0.1282 0.5638 0.071 Uiso 1 1 calc R
C40 C 0.05464(9) -0.0167(4) 0.5019(2) 0.0693(11) Uani 1 1 d .
H40 H 0.0648 0.0003 0.4648 0.083 Uiso 1 1 calc R
C41 C 0.03534(8) -0.1170(4) 0.49623(19) 0.0632(11) Uani 1 1 d .
H41 H 0.0321 -0.1681 0.4559 0.076 Uiso 1 1 calc R
C42 C -0.00716(6) -0.2028(3) 0.62907(17) 0.0421(8) Uani 1 1 d .
H42 H -0.0210 -0.2499 0.6489 0.050 Uiso 1 1 calc R
C43 C -0.01300(8) -0.3310(3) 0.5178(2) 0.0594(10) Uani 1 1 d .
H43A H -0.0165 -0.3008 0.4691 0.071 Uiso 1 1 calc R
H43B H -0.0321 -0.3555 0.5298 0.071 Uiso 1 1 calc R
C46 C 0.00716(8) -0.4454(4) 0.5236(2) 0.0629(11) Uani 1 1 d .
H46A H 0.0114 -0.4736 0.5727 0.075 Uiso 1 1 calc R
H46B H 0.0259 -0.4220 0.5095 0.075 Uiso 1 1 calc R
C47 C 0.13624(8) 0.8998(3) 0.63242(17) 0.0557(9) Uani 1 1 d .
H47A H 0.1274 0.9551 0.5939 0.067 Uiso 1 1 calc R
H47B H 0.1545 0.8653 0.6203 0.067 Uiso 1 1 calc R
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
C25 C44 C44 111.6(3) . 7_557
C15 N4 C10 104.7(2) . .
C15 N4 Co2 121.57(19) . 6_575
C10 N4 Co2 133.71(18) . 6_575
N4 C15 N3 113.8(3) . .
C15 N3 C9 106.7(2) . .
C15 N3 C16 126.2(3) . .
C9 N3 C16 126.5(3) . .
N3 C16 C45 111.4(3) . .
C16 C45 C47 114.8(3) . .
O4 Co1 O4 96.44(11) . 2_556
O4 Co1 N7 111.68(9) . .
O4 Co1 N7 103.86(9) 2_556 .
O4 Co1 N7 103.86(9) . 2_556
O4 Co1 N7 111.68(9) 2_556 2_556
N7 Co1 N7 125.61(14) . 2_556
C32 O1 Co2 126.57(18) . .
C7 N1 C2 104.7(2) . .
C7 N1 Co2 124.0(2) . .
C2 N1 Co2 129.86(18) . .
N2 C1 C6 131.7(3) . .
N2 C1 C2 105.8(2) . .
C6 C1 C2 122.5(3) . .
O1 Co2 N4 90.24(8) . 6_576
O1 Co2 N5 90.31(8) . .
N4 Co2 N5 92.59(8) 6_576 .
O1 Co2 N1 87.31(8) . .
N4 Co2 N1 173.71(8) 6_576 .
N5 Co2 N1 93.21(9) . .
O1 Co2 O8 90.48(7) . .
N4 Co2 O8 86.72(8) 6_576 .
N5 Co2 O8 178.95(8) . .
N1 Co2 O8 87.51(8) . .
O1 Co2 O5 174.66(7) . 1_565
N4 Co2 O5 89.94(9) 6_576 1_565
N5 Co2 O5 84.35(8) . 1_565
N1 Co2 O5 93.04(9) . 1_565
O8 Co2 O5 94.86(7) . 1_565
C7 N2 C1 106.3(2) . .
C7 N2 C8 125.2(3) . .
C1 N2 C8 127.0(3) . .
C3 C2 C1 119.9(3) . .
C3 C2 N1 131.1(3) . .
C1 C2 N1 109.0(2) . .
O6 S3 O7 114.12(14) . .
O6 S3 O5 113.09(13) . .
O7 S3 O5 112.68(13) . .
O6 S3 C31 105.65(13) . .
O7 S3 C31 106.71(12) . .
O5 S3 C31 103.53(12) . .
C4 C3 C2 117.6(3) . .
C33 O4 Co1 107.03(18) . .
C3 C4 C5 121.4(3) . .
C24 N5 C19 104.7(2) . .
C24 N5 Co2 121.80(18) . .
C19 N5 Co2 132.71(18) . .
C6 C5 C4 122.1(3) . .
S3 O5 Co2 170.51(14) . 1_545
C24 N6 C18 105.9(2) . .
C24 N6 C25 127.1(2) . .
C18 N6 C25 126.7(2) . .
C5 C6 C1 116.4(3) . .
C42 N7 C37 104.8(2) . .
C42 N7 Co1 127.1(2) . .
C37 N7 Co1 127.25(19) . .
N1 C7 N2 114.2(3) . .
C42 N8 C36 107.4(2) . .
C42 N8 C43 125.1(3) . .
C36 N8 C43 127.5(3) . .
N2 C8 C47 111.6(3) . .
N3 C9 C14 131.6(3) . .
N3 C9 C10 105.8(2) . .
C14 C9 C10 122.5(3) . .
C11 C10 C9 119.8(3) . .
C11 C10 N4 131.3(3) . .
C9 C10 N4 109.0(2) . .
C12 C11 C10 117.5(3) . .
C11 C12 C13 121.7(3) . .
C14 C13 C12 121.8(3) . .
C13 C14 C9 116.6(3) . .
N6 C18 C23 131.2(3) . .
N6 C18 C19 106.2(2) . .
C23 C18 C19 122.6(3) . .
C20 C19 C18 120.0(3) . .
C20 C19 N5 131.3(2) . .
C18 C19 N5 108.6(2) . .
C21 C20 C19 117.9(3) . .
C20 C21 C22 121.3(3) . .
C23 C22 C21 122.3(3) . .
C22 C23 C18 115.9(3) . .
N5 C24 N6 114.6(3) . .
N6 C25 C44 111.6(2) . .
C31 C26 C27 119.8(2) . .
C28 C27 C26 119.1(3) . .
C28 C27 C32 120.6(2) . .
C26 C27 C32 120.3(2) . .
C29 C28 C27 121.1(2) . .
C28 C29 C30 119.0(2) . .
C28 C29 C33 122.8(2) . .
C30 C29 C33 118.2(2) . .
C31 C30 C29 120.9(3) . .
C30 C31 C26 120.1(2) . .
C30 C31 S3 117.8(2) . .
C26 C31 S3 122.02(19) . .
O2 C32 O1 125.4(3) . .
O2 C32 C27 117.7(2) . .
O1 C32 C27 116.9(2) . .
O3 C33 O4 122.5(2) . .
O3 C33 C29 120.5(2) . .
O4 C33 C29 117.0(3) . .
C41 C36 N8 133.1(3) . .
C41 C36 C37 121.7(3) . .
N8 C36 C37 105.1(3) . .
C38 C37 N7 130.4(3) . .
C38 C37 C36 120.3(3) . .
N7 C37 C36 109.2(3) . .
C39 C38 C37 117.5(3) . .
C38 C39 C40 121.5(4) . .
C41 C40 C39 121.7(4) . .
C40 C41 C36 117.2(3) . .
N7 C42 N8 113.4(3) . .
N8 C43 C46 112.1(3) . .
C43 C46 C46 111.4(3) . 5_546
C8 C47 C45 113.6(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C44 C25 1.514(4) .
C44 C44 1.520(6) 7_557
N4 C15 1.316(3) .
N4 C10 1.402(3) .
N4 Co2 2.102(2) 6_575
C15 N3 1.350(4) .
N3 C9 1.381(4) .
N3 C16 1.463(4) .
C16 C45 1.512(5) .
C45 C47 1.523(5) .
Co1 O4 1.9865(18) .
Co1 O4 1.9865(18) 2_556
Co1 N7 2.008(2) .
Co1 N7 2.008(2) 2_556
O1 C32 1.257(3) .
O1 Co2 2.0925(18) .
N1 C7 1.309(4) .
N1 C2 1.398(4) .
N1 Co2 2.138(2) .
C1 N2 1.383(4) .
C1 C6 1.389(4) .
C1 C2 1.398(4) .
Co2 N4 2.102(2) 6_576
Co2 N5 2.113(2) .
Co2 O8 2.2085(18) .
Co2 O5 2.2498(19) 1_565
N2 C7 1.348(4) .
N2 C8 1.467(4) .
O2 C32 1.245(3) .
C2 C3 1.389(4) .
S3 O6 1.436(2) .
S3 O7 1.441(2) .
S3 O5 1.462(2) .
S3 C31 1.770(3) .
O3 C33 1.240(3) .
C3 C4 1.382(4) .
O4 C33 1.279(3) .
C4 C5 1.389(5) .
N5 C24 1.308(3) .
N5 C19 1.400(3) .
C5 C6 1.369(5) .
O5 Co2 2.2498(19) 1_545
N6 C24 1.345(3) .
N6 C18 1.386(4) .
N6 C25 1.467(3) .
N7 C42 1.320(4) .
N7 C37 1.398(4) .
N8 C42 1.341(4) .
N8 C36 1.385(4) .
N8 C43 1.465(4) .
C8 C47 1.499(5) .
C9 C14 1.387(4) .
C9 C10 1.400(4) .
C10 C11 1.389(4) .
C11 C12 1.377(4) .
C12 C13 1.393(5) .
C13 C14 1.365(5) .
C18 C23 1.393(4) .
C18 C19 1.398(4) .
C19 C20 1.378(4) .
C20 C21 1.372(4) .
C21 C22 1.395(4) .
C22 C23 1.363(5) .
C26 C31 1.388(4) .
C26 C27 1.401(4) .
C27 C28 1.390(4) .
C27 C32 1.507(4) .
C28 C29 1.383(4) .
C29 C30 1.388(4) .
C29 C33 1.492(3) .
C30 C31 1.376(3) .
C36 C41 1.380(5) .
C36 C37 1.403(4) .
C37 C38 1.385(4) .
C38 C39 1.373(4) .
C39 C40 1.392(5) .
C40 C41 1.365(5) .
C43 C46 1.506(5) .
C46 C46 1.535(6) 5_546
