#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/26/8102629.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_8102629
loop_
_publ_author_name
'Hong-Mei Chai'
'Lou-Jun Gao'
_publ_section_title
;
 Crystal structure of
 monoaqua-bis(2,2-bipyridine)-(anthraquinone-2,6-disulfonato)cobalt(II)
 dihydrate, Co(H2O)(C10H8N2)2(C14H6O8S2) · 2H2O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              124
_journal_volume                  225
_journal_year                    2010
_chemical_formula_sum            'C34 H28 Co N4 O11 S2'
_chemical_formula_weight         791.65
_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                 99.72(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.610(6)
_cell_length_b                   9.4700(19)
_cell_length_c                   24.180(5)
_cell_measurement_reflns_used    554
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.986
_cell_measurement_theta_min      2.329
_cell_volume                     6683(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  '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  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0338
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            17947
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    0.708
_exptl_absorpt_correction_T_max  0.9455
_exptl_absorpt_correction_T_min  0.9198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3256
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.224
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         6215
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0456
_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)+(0.0621P)²+13.6666P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1186
_refine_ls_wR_factor_ref         0.1288
_reflns_number_gt                4855
_reflns_number_total             6215
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2867.cff
_cod_data_source_block           z
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               8102629
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
O11 O 0.00246(13) 0.4919(6) 0.4281(2) 0.1209(15) Uani 1 1 d D . .
C1 C 0.17638(13) 0.6856(4) 0.44613(16) 0.0516(9) Uani 1 1 d . . .
H1 H 0.1612 0.6472 0.4733 0.062 Uiso 1 1 calc R . .
C2 C 0.22035(14) 0.6429(5) 0.4447(2) 0.0642(12) Uani 1 1 d . . .
H2 H 0.2349 0.5782 0.4707 0.077 Uiso 1 1 calc R . .
C3 C 0.24225(14) 0.6974(5) 0.4044(2) 0.0726(14) Uani 1 1 d . . .
H3 H 0.2719 0.6690 0.4020 0.087 Uiso 1 1 calc R . .
C4 C 0.22013(13) 0.7948(4) 0.3671(2) 0.0627(12) Uani 1 1 d . . .
H4 H 0.2347 0.8328 0.3394 0.075 Uiso 1 1 calc R . .
C5 C 0.17598(11) 0.8358(3) 0.37124(15) 0.0429(8) Uani 1 1 d . . .
C6 C 0.15022(12) 0.9428(3) 0.33484(14) 0.0433(8) Uani 1 1 d . . .
C7 C 0.16858(15) 1.0184(4) 0.29464(16) 0.0586(11) Uani 1 1 d . . .
H7 H 0.1984 1.0011 0.2891 0.070 Uiso 1 1 calc R . .
C8 C 0.14264(19) 1.1180(5) 0.26341(17) 0.0677(13) Uani 1 1 d . . .
H8 H 0.1544 1.1680 0.2359 0.081 Uiso 1 1 calc R . .
C9 C 0.09929(19) 1.1438(4) 0.27272(17) 0.0675(13) Uani 1 1 d . . .
H9 H 0.0814 1.2134 0.2526 0.081 Uiso 1 1 calc R . .
C10 C 0.08227(15) 1.0646(4) 0.31274(15) 0.0543(10) Uani 1 1 d . . .
H10 H 0.0525 1.0810 0.3186 0.065 Uiso 1 1 calc R . .
C11 C 0.12172(12) 1.0278(4) 0.49882(14) 0.0476(9) Uani 1 1 d . . .
H11 H 0.1481 0.9733 0.5019 0.057 Uiso 1 1 calc R . .
C12 C 0.12161(15) 1.1429(4) 0.53298(16) 0.0575(10) Uani 1 1 d . . .
H12 H 0.1475 1.1666 0.5587 0.069 Uiso 1 1 calc R . .
C13 C 0.08265(16) 1.2223(4) 0.52845(17) 0.0640(11) Uani 1 1 d . . .
H13 H 0.0818 1.3010 0.5513 0.077 Uiso 1 1 calc R . .
C14 C 0.04509(15) 1.1859(4) 0.49042(16) 0.0562(10) Uani 1 1 d . . .
H14 H 0.0185 1.2399 0.4867 0.067 Uiso 1 1 calc R . .
C15 C 0.04702(12) 1.0677(3) 0.45749(13) 0.0383(7) Uani 1 1 d . . .
C16 C 0.00748(11) 1.0174(3) 0.41601(13) 0.0361(7) Uani 1 1 d . . .
C17 C -0.03474(12) 1.0809(4) 0.40774(16) 0.0485(9) Uani 1 1 d . . .
H17 H -0.0399 1.1603 0.4284 0.058 Uiso 1 1 calc R . .
C18 C -0.06947(12) 1.0259(4) 0.36847(17) 0.0528(9) Uani 1 1 d . . .
H18 H -0.0983 1.0680 0.3622 0.063 Uiso 1 1 calc R . .
C19 C -0.06099(12) 0.9085(4) 0.33889(15) 0.0481(9) Uani 1 1 d . . .
H19 H -0.0839 0.8691 0.3124 0.058 Uiso 1 1 calc R . .
C20 C -0.01815(11) 0.8502(4) 0.34903(15) 0.0434(8) Uani 1 1 d . . .
H20 H -0.0125 0.7705 0.3288 0.052 Uiso 1 1 calc R . .
C21 C 0.12966(10) 0.4846(3) 0.33527(13) 0.0322(7) Uani 1 1 d . . .
C22 C 0.12122(12) 0.4049(4) 0.38030(15) 0.0433(8) Uani 1 1 d . . .
H22 H 0.0936 0.4144 0.3934 0.052 Uiso 1 1 calc R . .
C23 C 0.15373(11) 0.3117(4) 0.40565(15) 0.0434(8) Uani 1 1 d . . .
H23 H 0.1481 0.2591 0.4362 0.052 Uiso 1 1 calc R . .
C24 C 0.19485(10) 0.2951(3) 0.38625(13) 0.0342(7) Uani 1 1 d . . .
C25 C 0.20335(10) 0.3766(3) 0.34103(13) 0.0331(7) Uani 1 1 d . . .
C26 C 0.17039(10) 0.4712(3) 0.31575(13) 0.0349(7) Uani 1 1 d . . .
H26 H 0.1759 0.5255 0.2855 0.042 Uiso 1 1 calc R . .
C27 C 0.26954(10) 0.1635(3) 0.38542(13) 0.0330(7) Uani 1 1 d . . .
C28 C 0.27814(10) 0.2484(3) 0.34086(13) 0.0362(7) Uani 1 1 d . . .
C29 C 0.31674(11) 0.2230(4) 0.31702(14) 0.0428(8) Uani 1 1 d . . .
H29 H 0.3233 0.2813 0.2884 0.051 Uiso 1 1 calc R . .
C30 C 0.34546(11) 0.1126(4) 0.33511(14) 0.0407(8) Uani 1 1 d . . .
H30 H 0.3713 0.0962 0.3189 0.049 Uiso 1 1 calc R . .
C31 C 0.33586(10) 0.0260(3) 0.37741(13) 0.0349(7) Uani 1 1 d . . .
C32 C 0.29861(10) 0.0530(3) 0.40310(13) 0.0348(7) Uani 1 1 d . . .
H32 H 0.2931 -0.0039 0.4326 0.042 Uiso 1 1 calc R . .
C33 C 0.22840(11) 0.1883(3) 0.41214(14) 0.0367(7) Uani 1 1 d . . .
C34 C 0.24634(12) 0.3619(4) 0.31840(15) 0.0449(8) Uani 1 1 d . . .
Co1 Co 0.083471(14) 0.82758(4) 0.401587(17) 0.03324(14) Uani 1 1 d . . .
N1 N 0.01574(9) 0.9024(3) 0.38652(11) 0.0369(6) Uani 1 1 d . . .
N2 N 0.08547(9) 0.9910(3) 0.46136(11) 0.0377(6) Uani 1 1 d . . .
N3 N 0.15426(9) 0.7794(3) 0.41055(11) 0.0402(6) Uani 1 1 d . . .
N4 N 0.10701(10) 0.9659(3) 0.34311(11) 0.0409(6) Uani 1 1 d . . .
O1 O 0.40885(11) -0.0671(3) 0.43760(17) 0.0977(12) Uani 1 1 d . . .
O2 O 0.38965(18) -0.1611(4) 0.34827(16) 0.1274(18) Uani 1 1 d . . .
O3 O 0.34768(11) -0.2211(4) 0.4206(2) 0.1218(17) Uani 1 1 d . . .
O4 O 0.22213(9) 0.1202(3) 0.45254(11) 0.0575(7) Uani 1 1 d . . .
O5 O 0.25456(10) 0.4393(4) 0.28137(15) 0.0886(12) Uani 1 1 d . . .
O6 O 0.05487(9) 0.5045(3) 0.26585(11) 0.0608(7) Uani 1 1 d . . .
O7 O 0.06595(7) 0.6656(2) 0.34269(9) 0.0392(5) Uani 1 1 d . . .
O8 O 0.10965(8) 0.6946(3) 0.26796(10) 0.0490(6) Uani 1 1 d . . .
O9 O 0.06537(11) 0.6840(3) 0.45902(12) 0.0657(8) Uani 1 1 d D . .
O10 O 0.00493(15) 0.3507(6) 0.1695(2) 0.1204(15) Uani 1 1 d D . .
S1 S 0.37221(3) -0.12127(9) 0.39696(4) 0.0421(2) Uani 1 1 d . . .
S2 S 0.08648(3) 0.59707(8) 0.29901(3) 0.0360(2) Uani 1 1 d . . .
H1W H 0.0457(10) 0.630(3) 0.4440(12) 0.054 Uiso 1 1 d D . .
H2W H 0.0793(11) 0.657(3) 0.4893(9) 0.054 Uiso 1 1 d D . .
H3W H 0.0331(4) 0.357(4) 0.1777(14) 0.054 Uiso 1 1 d D . .
H5W H -0.0238(6) 0.488(4) 0.4350(12) 0.054 Uiso 1 1 d D . .
H6W H 0.0028(11) 0.479(5) 0.3935(6) 0.054 Uiso 1 1 d D . .
H4W H -0.0092(9) 0.382(4) 0.1934(12) 0.054 Uiso 1 1 d 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
_geom_angle_publ_flag
H5W O11 H6W 111.3(18) . . ?
N3 C1 C2 123.2(4) . . ?
N3 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C3 C2 C1 118.4(4) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C2 C3 C4 119.5(4) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C3 C4 C5 119.5(4) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
N3 C5 C4 120.6(4) . . ?
N3 C5 C6 115.8(3) . . ?
C4 C5 C6 123.5(4) . . ?
N4 C6 C7 120.9(4) . . ?
N4 C6 C5 115.7(3) . . ?
C7 C6 C5 123.3(4) . . ?
C8 C7 C6 119.6(4) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C7 C8 C9 119.5(4) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C8 C9 C10 118.8(4) . . ?
C8 C9 H9 120.6 . . ?
C10 C9 H9 120.6 . . ?
N4 C10 C9 122.4(4) . . ?
N4 C10 H10 118.8 . . ?
C9 C10 H10 118.8 . . ?
N2 C11 C12 122.4(4) . . ?
N2 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C13 C12 C11 118.6(4) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C14 C13 C12 119.8(4) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C14 C15 119.1(4) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 H14 120.5 . . ?
N2 C15 C14 121.1(3) . . ?
N2 C15 C16 115.9(3) . . ?
C14 C15 C16 123.0(3) . . ?
N1 C16 C17 121.3(3) . . ?
N1 C16 C15 115.1(3) . . ?
C17 C16 C15 123.6(3) . . ?
C16 C17 C18 119.4(3) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C19 C18 C17 119.0(3) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C20 C19 C18 118.8(3) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
N1 C20 C19 122.9(3) . . ?
N1 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
C26 C21 C22 120.4(3) . . ?
C26 C21 S2 119.1(2) . . ?
C22 C21 S2 120.4(2) . . ?
C23 C22 C21 119.8(3) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.8(3) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C25 119.2(3) . . ?
C23 C24 C33 120.0(3) . . ?
C25 C24 C33 120.8(3) . . ?
C26 C25 C24 119.7(3) . . ?
C26 C25 C34 119.0(3) . . ?
C24 C25 C34 121.3(3) . . ?
C21 C26 C25 120.1(3) . . ?
C21 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C32 C27 C28 119.3(3) . . ?
C32 C27 C33 119.9(3) . . ?
C28 C27 C33 120.7(3) . . ?
C29 C28 C27 119.3(3) . . ?
C29 C28 C34 119.7(3) . . ?
C27 C28 C34 121.0(3) . . ?
C30 C29 C28 120.7(3) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C29 C30 C31 119.7(3) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C30 C31 C32 120.4(3) . . ?
C30 C31 S1 118.2(2) . . ?
C32 C31 S1 121.4(2) . . ?
C27 C32 C31 120.5(3) . . ?
C27 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
O4 C33 C24 121.4(3) . . ?
O4 C33 C27 120.9(3) . . ?
C24 C33 C27 117.6(3) . . ?
O5 C34 C28 121.2(3) . . ?
O5 C34 C25 120.7(3) . . ?
C28 C34 C25 118.1(3) . . ?
O9 Co1 O7 85.01(11) . . ?
O9 Co1 N1 89.43(12) . . ?
O7 Co1 N1 90.54(9) . . ?
O9 Co1 N2 90.16(12) . . ?
O7 Co1 N2 167.35(9) . . ?
N1 Co1 N2 77.70(10) . . ?
O9 Co1 N3 98.80(12) . . ?
O7 Co1 N3 92.22(10) . . ?
N1 Co1 N3 171.52(11) . . ?
N2 Co1 N3 100.08(11) . . ?
O9 Co1 N4 175.46(12) . . ?
O7 Co1 N4 94.03(10) . . ?
N1 Co1 N4 95.02(11) . . ?
N2 Co1 N4 91.67(10) . . ?
N3 Co1 N4 76.79(11) . . ?
C20 N1 C16 118.6(3) . . ?
C20 N1 Co1 125.6(2) . . ?
C16 N1 Co1 115.8(2) . . ?
C11 N2 C15 119.0(3) . . ?
C11 N2 Co1 125.8(2) . . ?
C15 N2 Co1 115.1(2) . . ?
C1 N3 C5 118.7(3) . . ?
C1 N3 Co1 125.5(3) . . ?
C5 N3 Co1 115.1(2) . . ?
C10 N4 C6 118.8(3) . . ?
C10 N4 Co1 126.0(3) . . ?
C6 N4 Co1 115.1(2) . . ?
S2 O7 Co1 137.06(14) . . ?
Co1 O9 H1W 111(2) . . ?
Co1 O9 H2W 131(2) . . ?
H1W O9 H2W 114.6(18) . . ?
H3W O10 H4W 114.5(19) . . ?
O3 S1 O2 117.2(3) . . ?
O3 S1 O1 110.7(3) . . ?
O2 S1 O1 109.1(3) . . ?
O3 S1 C31 108.15(17) . . ?
O2 S1 C31 106.12(18) . . ?
O1 S1 C31 104.87(17) . . ?
O6 S2 O8 115.32(17) . . ?
O6 S2 O7 111.51(15) . . ?
O8 S2 O7 112.79(14) . . ?
O6 S2 C21 104.98(15) . . ?
O8 S2 C21 106.02(14) . . ?
O7 S2 C21 105.21(14) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O11 H5W 0.822(10) . ?
O11 H6W 0.849(10) . ?
C1 N3 1.329(4) . ?
C1 C2 1.369(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.361(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.376(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.384(5) . ?
C4 H4 0.9300 . ?
C5 N3 1.345(4) . ?
C5 C6 1.468(5) . ?
C6 N4 1.346(4) . ?
C6 C7 1.390(5) . ?
C7 C8 1.362(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.362(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.385(6) . ?
C9 H9 0.9300 . ?
C10 N4 1.330(4) . ?
C10 H10 0.9300 . ?
C11 N2 1.329(4) . ?
C11 C12 1.368(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.366(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.362(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.381(5) . ?
C14 H14 0.9300 . ?
C15 N2 1.340(4) . ?
C15 C16 1.486(5) . ?
C16 N1 1.346(4) . ?
C16 C17 1.371(4) . ?
C17 C18 1.379(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.368(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.367(5) . ?
C19 H19 0.9300 . ?
C20 N1 1.329(4) . ?
C20 H20 0.9300 . ?
C21 C26 1.374(4) . ?
C21 C22 1.382(4) . ?
C21 S2 1.777(3) . ?
C22 C23 1.372(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.386(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.395(4) . ?
C24 C33 1.481(4) . ?
C25 C26 1.388(4) . ?
C25 C34 1.475(4) . ?
C26 H26 0.9300 . ?
C27 C32 1.377(4) . ?
C27 C28 1.401(4) . ?
C27 C33 1.491(4) . ?
C28 C29 1.385(4) . ?
C28 C34 1.471(4) . ?
C29 C30 1.372(4) . ?
C29 H29 0.9300 . ?
C30 C31 1.377(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.378(4) . ?
C31 S1 1.776(3) . ?
C32 H32 0.9300 . ?
C33 O4 1.211(4) . ?
C34 O5 1.213(4) . ?
Co1 O9 2.077(3) . ?
Co1 O7 2.098(2) . ?
Co1 N1 2.100(3) . ?
Co1 N2 2.112(3) . ?
Co1 N3 2.120(3) . ?
Co1 N4 2.129(3) . ?
O1 S1 1.430(3) . ?
O2 S1 1.414(4) . ?
O3 S1 1.374(3) . ?
O6 S2 1.426(3) . ?
O7 S2 1.457(2) . ?
O8 S2 1.436(3) . ?
O9 H1W 0.817(10) . ?
O9 H2W 0.818(10) . ?
O10 H3W 0.825(10) . ?
O10 H4W 0.823(10) . ?
