#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:22:23 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180502 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/71/7217121.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_7217121
loop_
_publ_author_name
'Gao, Xiao Lin'
'Gong, Yun'
'Zhang, Pan'
'Yang, Yong Xi'
'Meng, Jiang Ping'
'Zhang, Miao Miao'
'Yin, Jun Li'
'Lin, Jian Hua'
_publ_section_title
;
 Metal(ii) complexes based on
 4-(2,6-di(pyridin-4-yl)pyridin-4-yl)benzonitrile: structures and
 electrocatalysis in hydrogen evolution reaction from water
;
_journal_issue                   36
_journal_name_full               CrystEngComm
_journal_page_first              8492
_journal_paper_doi               10.1039/C4CE01259C
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C44 H42 Co2 N8 O15 S2'
_chemical_formula_weight         1104.84
_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                 106.274(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.6160(14)
_cell_length_b                   12.1893(11)
_cell_length_c                   25.892(3)
_cell_measurement_reflns_used    4371
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.355
_cell_measurement_theta_min      2.9035
_cell_volume                     4428.1(8)
_computing_cell_refinement       'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlisPro, Oxford Diffraction Ltd.'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Oxford XCalibur Eos'
_diffrn_measurement_method       '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  0.0000
_diffrn_reflns_av_unetI/netI     0.0903
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7764
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    0.927
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.651
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         7764
_refine_ls_number_restraints     1782
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.0980
_refine_ls_R_factor_gt           0.0553
_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)+(0.0578P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1146
_refine_ls_wR_factor_ref         0.1347
_reflns_number_gt                5224
_reflns_number_total             7764
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01259c2.cif
_cod_data_source_block           140429c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7217120--7217122.cif.
;
_cod_original_cell_volume        4428.1(7)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7217121
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 0.14895(6) 0.28565(6) 0.22814(3) 0.0276(2) Uani 1 1 d U
Co2 Co 0.64727(7) 0.26599(6) 0.23621(3) 0.0266(2) Uani 1 1 d U
N1 N 0.1251(4) 0.4919(4) 0.48030(17) 0.0275(11) Uani 1 1 d U
N2 N 0.1482(4) 0.3843(4) 0.29777(18) 0.0291(12) Uani 1 1 d U
N3 N 0.1325(4) 0.3199(4) 0.65853(18) 0.0329(12) Uani 1 1 d U
N4 N 0.0171(6) 1.1625(6) 0.3990(3) 0.086(2) Uani 1 1 d U
N5 N 0.6241(3) 0.0037(4) -0.01404(17) 0.0250(11) Uani 1 1 d U
N6 N 0.6330(4) 0.1605(4) 0.16663(18) 0.0285(11) Uani 1 1 d U
N7 N 0.6450(4) 0.1325(4) -0.19491(17) 0.0279(12) Uani 1 1 d U
N8 N 0.4779(5) -0.6335(4) -0.1331(2) 0.0602(18) Uani 1 1 d U
O1 O 0.2424(3) 0.3963(3) 0.20606(16) 0.0360(10) Uani 1 1 d U
O2 O 0.3372(4) 0.3086(3) 0.15586(18) 0.0519(13) Uani 1 1 d U
O3 O 0.3928(3) 0.3168(4) 0.25292(18) 0.0569(14) Uani 1 1 d U
O4 O 0.3864(3) 0.4787(3) 0.19963(16) 0.0484(13) Uani 1 1 d U
O5 O 0.7757(3) 0.3409(3) 0.23217(17) 0.0423(11) Uani 1 1 d U
O6 O 0.8226(4) 0.3463(3) 0.15040(18) 0.0501(13) Uani 1 1 d U
O7 O 0.7309(3) 0.4951(3) 0.17358(17) 0.0453(12) Uani 1 1 d U
O8 O 0.8943(3) 0.4663(3) 0.22283(17) 0.0473(12) Uani 1 1 d U
O9 O 0.0380(3) 0.3868(3) 0.17954(16) 0.0492(13) Uani 1 1 d U
H9C H -0.0119 0.3561 0.1599 0.059 Uiso 1 1 d R
H9D H 0.0211 0.4260 0.2025 0.059 Uiso 1 1 d R
O10 O 0.2594(3) 0.1913(3) 0.27491(17) 0.0492(13) Uani 1 1 d U
H10C H 0.3097 0.2214 0.2713 0.059 Uiso 1 1 d R
H10D H 0.2744 0.1311 0.2917 0.059 Uiso 1 1 d R
O11 O 0.0536(3) 0.1778(3) 0.24982(16) 0.0406(11) Uani 1 1 d U
H11C H 0.0711 0.1119 0.2577 0.049 Uiso 1 1 d R
H11D H 0.0091 0.1926 0.2639 0.049 Uiso 1 1 d R
O12 O 0.5663(3) 0.3871(3) 0.18404(14) 0.0344(10) Uani 1 1 d U
H12C H 0.5200 0.4247 0.1883 0.041 Uiso 1 1 d R
H12D H 0.6103 0.4306 0.1814 0.041 Uiso 1 1 d R
O13 O 0.5312(3) 0.1804(3) 0.24739(15) 0.0393(11) Uani 1 1 d U
H13C H 0.4854 0.2134 0.2550 0.047 Uiso 1 1 d R
H13D H 0.5451 0.1233 0.2669 0.047 Uiso 1 1 d R
O14 O 0.7318(3) 0.1518(3) 0.29077(15) 0.0472(12) Uani 1 1 d U
H14C H 0.7915 0.1502 0.2946 0.057 Uiso 1 1 d R
H14D H 0.7131 0.0876 0.2958 0.057 Uiso 1 1 d R
O15 O 0.9135(4) 0.2178(4) 0.2952(2) 0.0791(17) Uani 1 1 d U
H15C H 0.8691 0.2647 0.2853 0.095 Uiso 1 1 d R
H15D H 0.9333 0.2174 0.3293 0.095 Uiso 1 1 d R
S1 S 0.80671(13) 0.41162(12) 0.19367(6) 0.0323(4) Uani 1 1 d U
S2 S 0.33970(12) 0.37329(12) 0.20255(6) 0.0314(4) Uani 1 1 d U
C1 C 0.1322(4) 0.5571(4) 0.4401(2) 0.0252(13) Uani 1 1 d U
C2 C 0.1363(5) 0.6706(5) 0.4446(2) 0.0299(14) Uani 1 1 d U
H2 H 0.1432 0.7136 0.4163 0.036 Uiso 1 1 calc R
C3 C 0.1299(5) 0.7186(4) 0.4921(2) 0.0296(13) Uani 1 1 d U
C4 C 0.1207(5) 0.6500(5) 0.5332(2) 0.0321(14) Uani 1 1 d U
H4 H 0.1145 0.6796 0.5652 0.039 Uiso 1 1 calc R
C5 C 0.1208(5) 0.5371(4) 0.5264(2) 0.0288(13) Uani 1 1 d U
C6 C 0.1404(5) 0.4931(4) 0.2980(2) 0.0315(14) Uani 1 1 d U
H6 H 0.1387 0.5310 0.2666 0.038 Uiso 1 1 calc R
C7 C 0.1347(5) 0.5528(4) 0.3421(2) 0.0303(14) Uani 1 1 d U
H7 H 0.1287 0.6287 0.3397 0.036 Uiso 1 1 calc R
C8 C 0.1378(4) 0.5004(4) 0.3901(2) 0.0266(13) Uani 1 1 d U
C9 C 0.1476(5) 0.3864(4) 0.3900(2) 0.0354(15) Uani 1 1 d U
H9 H 0.1510 0.3463 0.4210 0.043 Uiso 1 1 calc R
C10 C 0.1521(5) 0.3338(5) 0.3442(2) 0.0330(14) Uani 1 1 d U
H10 H 0.1582 0.2579 0.3454 0.040 Uiso 1 1 calc R
C11 C 0.1254(5) 0.4281(5) 0.6635(2) 0.0398(16) Uani 1 1 d U
H11 H 0.1262 0.4566 0.6969 0.048 Uiso 1 1 calc R
C12 C 0.1168(5) 0.4993(5) 0.6214(2) 0.0436(16) Uani 1 1 d U
H12 H 0.1098 0.5740 0.6267 0.052 Uiso 1 1 calc R
C13 C 0.1185(5) 0.4619(5) 0.5713(2) 0.0291(14) Uani 1 1 d U
C14 C 0.1232(5) 0.3503(5) 0.5667(2) 0.0381(16) Uani 1 1 d U
H14 H 0.1216 0.3195 0.5336 0.046 Uiso 1 1 calc R
C15 C 0.1302(5) 0.2832(5) 0.6099(2) 0.0337(15) Uani 1 1 d U
H15 H 0.1335 0.2079 0.6051 0.040 Uiso 1 1 calc R
C16 C 0.1361(5) 0.8394(5) 0.5011(2) 0.0332(14) Uani 1 1 d U
C17 C 0.0940(5) 0.9119(5) 0.4604(2) 0.0389(15) Uani 1 1 d U
H17 H 0.0611 0.8861 0.4265 0.047 Uiso 1 1 calc R
C18 C 0.1016(5) 1.0236(5) 0.4707(3) 0.0449(17) Uani 1 1 d U
C19 C 0.1535(6) 1.0629(6) 0.5209(3) 0.0501(18) Uani 1 1 d U
H19 H 0.1599 1.1380 0.5271 0.060 Uiso 1 1 calc R
C20 C 0.1946(6) 0.9910(6) 0.5607(3) 0.0524(19) Uani 1 1 d U
H20 H 0.2290 1.0170 0.5943 0.063 Uiso 1 1 calc R
C21 C 0.1856(5) 0.8811(5) 0.5515(3) 0.0444(16) Uani 1 1 d U
H21 H 0.2129 0.8327 0.5794 0.053 Uiso 1 1 calc R
C22 C 0.0563(7) 1.0995(6) 0.4299(3) 0.061(2) Uani 1 1 d U
C23 C 0.6191(4) -0.0487(4) 0.0305(2) 0.0255(13) Uani 1 1 d U
C24 C 0.6157(4) -0.1613(5) 0.0328(2) 0.0294(13) Uani 1 1 d U
H24 H 0.6108 -0.1954 0.0640 0.035 Uiso 1 1 calc R
C25 C 0.6196(4) -0.2236(4) -0.0106(2) 0.0265(13) Uani 1 1 d U
C26 C 0.6266(5) -0.1686(5) -0.0567(2) 0.0280(13) Uani 1 1 d U
H26 H 0.6310 -0.2080 -0.0867 0.034 Uiso 1 1 calc R
C27 C 0.6271(4) -0.0554(4) -0.0573(2) 0.0252(13) Uani 1 1 d U
C28 C 0.6367(4) 0.2006(5) 0.1187(2) 0.0301(13) Uani 1 1 d U
H28 H 0.6445 0.2758 0.1155 0.036 Uiso 1 1 calc R
C29 C 0.6294(5) 0.1359(4) 0.0743(2) 0.0300(14) Uani 1 1 d U
H29 H 0.6306 0.1677 0.0419 0.036 Uiso 1 1 calc R
C30 C 0.6202(4) 0.0231(4) 0.0778(2) 0.0242(13) Uani 1 1 d U
C31 C 0.6142(4) -0.0174(4) 0.1268(2) 0.0293(14) Uani 1 1 d U
H31 H 0.6059 -0.0922 0.1309 0.035 Uiso 1 1 calc R
C32 C 0.6204(5) 0.0520(4) 0.1691(2) 0.0292(13) Uani 1 1 d U
H32 H 0.6157 0.0223 0.2014 0.035 Uiso 1 1 calc R
C33 C 0.6455(5) 0.0235(5) -0.1951(2) 0.0355(15) Uani 1 1 d U
H33 H 0.6509 -0.0117 -0.2260 0.043 Uiso 1 1 calc R
C34 C 0.6386(5) -0.0410(4) -0.1527(2) 0.0322(14) Uani 1 1 d U
H34 H 0.6382 -0.1171 -0.1556 0.039 Uiso 1 1 calc R
C35 C 0.6322(4) 0.0084(4) -0.1054(2) 0.0261(13) Uani 1 1 d U
C36 C 0.6306(5) 0.1214(4) -0.1056(2) 0.0318(14) Uani 1 1 d U
H36 H 0.6260 0.1588 -0.0751 0.038 Uiso 1 1 calc R
C37 C 0.6356(5) 0.1797(5) -0.1499(2) 0.0337(15) Uani 1 1 d U
H37 H 0.6323 0.2558 -0.1488 0.040 Uiso 1 1 calc R
C38 C 0.6187(5) -0.3459(4) -0.0092(2) 0.0303(14) Uani 1 1 d U
C39 C 0.5728(5) -0.4065(4) -0.0538(2) 0.0340(14) Uani 1 1 d U
H39 H 0.5429 -0.3706 -0.0857 0.041 Uiso 1 1 calc R
C40 C 0.5703(5) -0.5198(5) -0.0518(2) 0.0345(15) Uani 1 1 d U
C41 C 0.6170(5) -0.5745(5) -0.0043(3) 0.0433(17) Uani 1 1 d U
H41 H 0.6159 -0.6507 -0.0027 0.052 Uiso 1 1 calc R
C42 C 0.6647(5) -0.5143(5) 0.0402(3) 0.0434(17) Uani 1 1 d U
H42 H 0.6973 -0.5500 0.0717 0.052 Uiso 1 1 calc R
C43 C 0.6641(5) -0.4019(5) 0.0379(2) 0.0357(15) Uani 1 1 d U
H43 H 0.6947 -0.3622 0.0685 0.043 Uiso 1 1 calc R
C44 C 0.5173(5) -0.5825(5) -0.0975(3) 0.0395(16) Uani 1 1 d U
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_3
O10 Co1 O11 87.86(18) .
O10 Co1 O1 93.21(17) .
O11 Co1 O1 178.84(16) .
O10 Co1 O9 178.25(18) .
O11 Co1 O9 93.87(18) .
O1 Co1 O9 85.06(17) .
O10 Co1 N2 90.35(18) .
O11 Co1 N2 88.10(17) .
O1 Co1 N2 91.44(16) .
O9 Co1 N2 89.43(17) .
O10 Co1 N3 92.47(19) 4_565
O11 Co1 N3 85.61(17) 4_565
O1 Co1 N3 94.79(17) 4_565
O9 Co1 N3 87.94(18) 4_565
N2 Co1 N3 173.0(2) 4_565
O13 Co2 O5 173.09(17) .
O13 Co2 O14 85.61(18) .
O5 Co2 O14 87.52(18) .
O13 Co2 O12 96.12(17) .
O5 Co2 O12 90.71(16) .
O14 Co2 O12 177.06(16) .
O13 Co2 N6 85.76(17) .
O5 Co2 N6 95.43(18) .
O14 Co2 N6 93.82(16) .
O12 Co2 N6 88.69(16) .
O13 Co2 N7 88.33(16) 4_566
O5 Co2 N7 90.72(17) 4_566
O14 Co2 N7 88.13(16) 4_566
O12 Co2 N7 89.55(15) 4_566
N6 Co2 N7 173.6(2) 4_566
C5 N1 C1 119.0(5) .
C6 N2 C10 115.8(5) .
C6 N2 Co1 125.2(4) .
C10 N2 Co1 118.9(4) .
C15 N3 C11 116.3(5) .
C15 N3 Co1 123.7(4) 4_566
C11 N3 Co1 120.0(4) 4_566
C23 N5 C27 119.1(5) .
C32 N6 C28 116.3(5) .
C32 N6 Co2 121.8(3) .
C28 N6 Co2 121.9(4) .
C33 N7 C37 115.7(5) .
C33 N7 Co2 124.3(4) 4_565
C37 N7 Co2 119.7(4) 4_565
S2 O1 Co1 127.1(2) .
S1 O5 Co2 136.6(3) .
O6 S1 O8 110.2(3) .
O6 S1 O5 110.3(3) .
O8 S1 O5 108.0(3) .
O6 S1 O7 111.8(3) .
O8 S1 O7 109.2(3) .
O5 S1 O7 107.2(3) .
O2 S2 O4 109.9(3) .
O2 S2 O1 111.0(3) .
O4 S2 O1 107.8(3) .
O2 S2 O3 111.6(3) .
O4 S2 O3 108.4(3) .
O1 S2 O3 108.0(3) .
N1 C1 C2 122.6(5) .
N1 C1 C8 115.9(5) .
C2 C1 C8 121.5(5) .
C1 C2 C3 118.8(5) .
C4 C3 C2 118.0(5) .
C4 C3 C16 119.4(5) .
C2 C3 C16 122.6(5) .
C3 C4 C5 119.7(5) .
N1 C5 C4 121.8(5) .
N1 C5 C13 117.5(5) .
C4 C5 C13 120.7(5) .
N2 C6 C7 123.7(5) .
C6 C7 C8 120.4(5) .
C7 C8 C9 115.7(5) .
C7 C8 C1 124.7(5) .
C9 C8 C1 119.6(5) .
C10 C9 C8 119.9(5) .
N2 C10 C9 124.4(5) .
N3 C11 C12 122.9(5) .
C11 C12 C13 121.0(6) .
C14 C13 C12 115.1(5) .
C14 C13 C5 122.2(5) .
C12 C13 C5 122.7(5) .
C15 C14 C13 121.1(6) .
N3 C15 C14 123.5(5) .
C17 C16 C21 118.9(5) .
C17 C16 C3 121.3(6) .
C21 C16 C3 119.8(6) .
C16 C17 C18 119.2(6) .
C17 C18 C19 120.7(6) .
C17 C18 C22 120.1(7) .
C19 C18 C22 119.2(6) .
C20 C19 C18 119.7(6) .
C19 C20 C21 120.2(7) .
C20 C21 C16 121.3(6) .
N4 C22 C18 176.3(9) .
N5 C23 C24 121.6(5) .
N5 C23 C30 115.8(5) .
C24 C23 C30 122.6(5) .
C25 C24 C23 120.6(5) .
C24 C25 C26 117.7(5) .
C24 C25 C38 122.2(5) .
C26 C25 C38 120.1(5) .
C27 C26 C25 119.4(5) .
N5 C27 C26 121.7(5) .
N5 C27 C35 116.1(5) .
C26 C27 C35 122.2(5) .
N6 C28 C29 123.2(5) .
C28 C29 C30 120.1(5) .
C31 C30 C29 116.4(5) .
C31 C30 C23 123.4(5) .
C29 C30 C23 120.2(5) .
C32 C31 C30 120.4(5) .
N6 C32 C31 123.5(5) .
N7 C33 C34 124.5(5) .
C33 C34 C35 119.5(5) .
C36 C35 C34 115.8(5) .
C36 C35 C27 121.3(5) .
C34 C35 C27 122.8(5) .
C37 C36 C35 121.1(5) .
N7 C37 C36 123.2(5) .
C39 C38 C43 118.2(5) .
C39 C38 C25 121.5(5) .
C43 C38 C25 120.3(5) .
C38 C39 C40 121.2(6) .
C39 C40 C41 119.8(6) .
C39 C40 C44 121.0(6) .
C41 C40 C44 119.1(5) .
C42 C41 C40 119.3(6) .
C43 C42 C41 120.0(6) .
C42 C43 C38 121.5(6) .
N8 C44 C40 178.0(8) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O10 2.073(4) .
Co1 O11 2.103(4) .
Co1 O1 2.110(4) .
Co1 O9 2.143(4) .
Co1 N2 2.169(4) .
Co1 N3 2.173(5) 4_565
Co2 O13 2.080(4) .
Co2 O5 2.116(4) .
Co2 O14 2.117(4) .
Co2 O12 2.123(4) .
Co2 N6 2.175(4) .
Co2 N7 2.179(4) 4_566
N1 C5 1.332(6) .
N1 C1 1.336(7) .
N2 C6 1.332(6) .
N2 C10 1.338(7) .
N3 C15 1.326(7) .
N3 C11 1.332(7) .
N3 Co1 2.173(5) 4_566
N4 C22 1.141(9) .
N5 C23 1.339(7) .
N5 C27 1.343(6) .
N6 C32 1.339(6) .
N6 C28 1.350(7) .
N7 C33 1.329(7) .
N7 C37 1.341(6) .
N7 Co2 2.179(4) 4_565
N8 C44 1.128(8) .
O1 S2 1.477(4) .
O2 S2 1.435(4) .
O3 S2 1.487(4) .
O4 S2 1.467(4) .
O5 S1 1.482(4) .
O6 S1 1.445(4) .
O7 S1 1.487(5) .
O8 S1 1.453(4) .
C1 C2 1.388(8) .
C1 C8 1.491(7) .
C2 C3 1.391(7) .
C3 C4 1.389(7) .
C3 C16 1.489(8) .
C4 C5 1.388(8) .
C5 C13 1.488(7) .
C6 C7 1.375(7) .
C7 C8 1.387(7) .
C8 C9 1.398(7) .
C9 C10 1.364(7) .
C11 C12 1.370(8) .
C12 C13 1.384(8) .
C13 C14 1.369(8) .
C14 C15 1.367(7) .
C16 C17 1.381(8) .
C16 C21 1.400(8) .
C17 C18 1.387(8) .
C18 C19 1.394(9) .
C18 C22 1.420(10) .
C19 C20 1.358(9) .
C20 C21 1.361(9) .
C23 C24 1.375(8) .
C23 C30 1.501(7) .
C24 C25 1.369(7) .
C25 C26 1.399(7) .
C25 C38 1.492(7) .
C26 C27 1.381(7) .
C27 C35 1.487(7) .
C28 C29 1.373(7) .
C29 C30 1.387(7) .
C30 C31 1.386(7) .
C31 C32 1.367(7) .
C33 C34 1.376(7) .
C34 C35 1.391(7) .
C35 C36 1.378(7) .
C36 C37 1.369(7) .
C38 C39 1.376(8) .
C38 C43 1.393(8) .
C39 C40 1.382(8) .
C40 C41 1.398(8) .
C40 C44 1.438(9) .
C41 C42 1.379(9) .
C42 C43 1.371(8) .
