#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:10:25 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179955 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/50/7025000.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_7025000
loop_
_publ_author_name
'Wang, Jun'
'Xu, Youg-Lu'
'Zhou, Hong-Bo'
'Wang, Hui-Sheng'
'Song, Xiao-Jiao'
'Song, You'
'You, Xiao-Zeng'
_publ_section_title
;
 Octacyanotungstate(v)-based square W(2)M(2) (M = Co, Mn) complexes:
 synthesis, structure and magnetic properties.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3489
_journal_page_last               3494
_journal_paper_doi               10.1039/b924203a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety
'C36 H24 Co2 N28 O2 W2, C20 H20 Co N12, 4(H2 O)'
_chemical_formula_sum            'C56 H52 Co3 N40 O6 W2'
_chemical_formula_weight         1925.87
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.057(4)
_cell_angle_beta                 95.149(5)
_cell_angle_gamma                106.715(4)
_cell_formula_units_Z            1
_cell_length_a                   11.550(3)
_cell_length_b                   11.578(3)
_cell_length_c                   14.605(4)
_cell_measurement_temperature    298(2)
_cell_volume                     1853.4(8)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_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  0.0390
_diffrn_reflns_av_sigmaI/netI    0.0753
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9308
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    3.825
_exptl_absorpt_correction_T_max  0.682
_exptl_absorpt_correction_T_min  0.415
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             945
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.115
_refine_diff_density_min         -1.015
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         6417
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0433P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0945
_refine_ls_wR_factor_ref         0.0977
_reflns_number_gt                5411
_reflns_number_total             6417
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b924203a.txt
_cod_data_source_block           Co
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7025000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.1857(6) 0.4176(6) -0.0463(5) 0.0316(15) Uani 1 1 d .
C2 C 0.2876(6) 0.2774(6) -0.1211(5) 0.0353(16) Uani 1 1 d .
C3 C 0.3736(6) 0.4215(6) -0.2409(6) 0.0415(18) Uani 1 1 d .
C4 C 0.2902(6) 0.5755(6) -0.1525(5) 0.0408(18) Uani 1 1 d .
C5 C 0.0377(6) 0.2460(6) -0.1710(5) 0.0341(16) Uani 1 1 d .
C6 C 0.1724(7) 0.2380(7) -0.2958(5) 0.0392(17) Uani 1 1 d .
C7 C 0.1728(7) 0.4611(6) -0.3205(5) 0.0402(18) Uani 1 1 d .
C8 C 0.0519(6) 0.4696(6) -0.1834(4) 0.0301(15) Uani 1 1 d .
C9 C -0.1021(7) 0.2159(7) 0.0519(5) 0.047(2) Uani 1 1 d .
H9 H -0.1234 0.2766 0.0224 0.057 Uiso 1 1 calc R
C10 C -0.1721(7) 0.0951(7) 0.0422(6) 0.055(2) Uani 1 1 d .
H10 H -0.2471 0.0611 0.0070 0.066 Uiso 1 1 calc R
C11 C -0.1092(7) 0.0383(7) 0.0943(6) 0.051(2) Uani 1 1 d .
H11 H -0.1324 -0.0439 0.1023 0.061 Uiso 1 1 calc R
C12 C 0.3639(6) 0.2683(7) 0.1473(5) 0.0426(18) Uani 1 1 d .
H12 H 0.4208 0.3374 0.1325 0.051 Uiso 1 1 calc R
C13 C 0.3863(7) 0.1592(7) 0.1551(6) 0.047(2) Uani 1 1 d .
H13 H 0.4583 0.1411 0.1469 0.057 Uiso 1 1 calc R
C14 C 0.2814(7) 0.0831(6) 0.1775(5) 0.0428(19) Uani 1 1 d .
H14 H 0.2676 0.0023 0.1883 0.051 Uiso 1 1 calc R
C15 C 0.0797(8) 0.3342(8) 0.3772(6) 0.056(2) Uani 1 1 d .
H15 H 0.0888 0.4137 0.4000 0.067 Uiso 1 1 calc R
C16 C 0.0463(9) 0.2366(10) 0.4277(7) 0.074(3) Uani 1 1 d .
H16 H 0.0301 0.2376 0.4889 0.089 Uiso 1 1 calc R
C17 C 0.0421(8) 0.1398(8) 0.3703(6) 0.058(2) Uani 1 1 d .
H17 H 0.0217 0.0598 0.3842 0.070 Uiso 1 1 calc R
C18 C 0.0805(7) 0.1101(6) 0.2053(5) 0.0414(18) Uani 1 1 d .
H18 H 0.0609 0.0245 0.2162 0.050 Uiso 1 1 calc R
C19 C 0.7503(9) 0.1485(9) 0.6216(6) 0.067(3) Uani 1 1 d .
H19 H 0.7443 0.0993 0.6696 0.081 Uiso 1 1 calc R
C20 C 0.8426(9) 0.2520(10) 0.6200(7) 0.081(3) Uani 1 1 d .
H20 H 0.9094 0.2845 0.6644 0.098 Uiso 1 1 calc R
C21 C 0.8171(8) 0.2982(8) 0.5399(6) 0.060(2) Uani 1 1 d .
H21 H 0.8620 0.3697 0.5190 0.072 Uiso 1 1 calc R
C22 C 0.5718(9) -0.0648(9) 0.3016(7) 0.068(3) Uani 1 1 d .
H22 H 0.5355 -0.1482 0.2969 0.082 Uiso 1 1 calc R
C23 C 0.6411(10) -0.0036(10) 0.2355(7) 0.077(3) Uani 1 1 d .
H23 H 0.6577 -0.0375 0.1804 0.092 Uiso 1 1 calc R
C24 C 0.6779(8) 0.1127(9) 0.2683(6) 0.061(2) Uani 1 1 d .
H24 H 0.7271 0.1764 0.2411 0.073 Uiso 1 1 calc R
C25 C 0.3608(9) 0.2038(9) 0.4841(7) 0.076(3) Uani 1 1 d .
H25 H 0.2938 0.1672 0.5138 0.091 Uiso 1 1 calc R
C26 C 0.3812(11) 0.3153(11) 0.4473(9) 0.101(4) Uani 1 1 d .
H26 H 0.3295 0.3638 0.4459 0.122 Uiso 1 1 calc R
C27 C 0.4886(10) 0.3385(9) 0.4148(8) 0.076(3) Uani 1 1 d .
H27 H 0.5275 0.4077 0.3881 0.091 Uiso 1 1 calc R
C28 C 0.6451(7) 0.2263(7) 0.4118(5) 0.0463(19) Uani 1 1 d .
H28 H 0.6918 0.2967 0.3835 0.056 Uiso 1 1 calc R
Co1 Co 0.14422(8) 0.38433(8) 0.16651(6) 0.0306(2) Uani 1 1 d .
Co2 Co 0.5000 0.0000 0.5000 0.0464(4) Uani 1 2 d S
N1 N 0.1776(5) 0.4294(5) 0.0314(4) 0.0387(14) Uani 1 1 d .
N2 N 0.3386(6) 0.2205(6) -0.0838(5) 0.0525(18) Uani 1 1 d .
N3 N 0.4676(6) 0.4409(6) -0.2667(5) 0.0563(18) Uani 1 1 d .
N4 N 0.3369(6) 0.6766(6) -0.1320(5) 0.061(2) Uani 1 1 d .
N5 N -0.0503(6) 0.1714(5) -0.1646(5) 0.0503(17) Uani 1 1 d .
N6 N 0.1533(7) 0.1592(7) -0.3519(5) 0.064(2) Uani 1 1 d .
N7 N 0.1603(7) 0.5015(6) -0.3893(5) 0.061(2) Uani 1 1 d .
N8 N -0.0251(5) 0.5117(5) -0.1776(4) 0.0336(13) Uani 1 1 d .
N9 N -0.0025(5) 0.2332(5) 0.1077(4) 0.0390(14) Uani 1 1 d .
N10 N 0.2532(5) 0.2639(5) 0.1630(4) 0.0365(14) Uani 1 1 d .
N11 N 0.0972(6) 0.3015(5) 0.2928(4) 0.0417(15) Uani 1 1 d .
N12 N -0.0064(5) 0.1213(5) 0.1329(4) 0.0395(14) Uani 1 1 d .
N13 N 0.2022(5) 0.1474(5) 0.1808(4) 0.0372(14) Uani 1 1 d .
N14 N 0.0721(5) 0.1786(5) 0.2903(4) 0.0415(15) Uani 1 1 d .
N15 N 0.6710(6) 0.1258(6) 0.5482(5) 0.0545(18) Uani 1 1 d .
N16 N 0.5649(6) 0.0109(6) 0.3708(5) 0.0535(17) Uani 1 1 d .
N17 N 0.4511(6) 0.1585(6) 0.4704(5) 0.0566(18) Uani 1 1 d .
N18 N 0.7140(6) 0.2195(6) 0.4975(4) 0.0512(17) Uani 1 1 d .
N19 N 0.6298(6) 0.1201(6) 0.3489(4) 0.0505(17) Uani 1 1 d .
N20 N 0.5298(6) 0.2440(6) 0.4276(5) 0.0512(17) Uani 1 1 d .
O1 O 0.2792(4) 0.5283(4) 0.2338(4) 0.0466(13) Uani 1 1 d .
H1A H 0.3475 0.5138 0.2385 0.056 Uiso 1 1 d R
H1B H 0.2843 0.5908 0.2053 0.056 Uiso 1 1 d R
O2 O 0.4271(6) 0.8320(7) 0.0411(5) 0.093(2) Uani 1 1 d .
H2A H 0.3962 0.7888 -0.0095 0.112 Uiso 1 1 d R
H2B H 0.4954 0.8208 0.0570 0.112 Uiso 1 1 d R
O3 O 0.2839(6) 0.7476(6) 0.1747(5) 0.0774(19) Uani 1 1 d .
H3A H 0.3304 0.7687 0.1331 0.093 Uiso 1 1 d R
H3B H 0.2114 0.7453 0.1559 0.093 Uiso 1 1 d R
W1 W 0.19748(2) 0.38813(2) -0.192002(19) 0.02791(10) 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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
N1 C1 W1 177.8(6) . .
N2 C2 W1 178.1(7) . .
N3 C3 W1 179.1(7) . .
N4 C4 W1 178.1(7) . .
N5 C5 W1 176.1(7) . .
N6 C6 W1 176.4(7) . .
N7 C7 W1 179.3(8) . .
N8 C8 W1 178.9(6) . .
N9 C9 C10 111.4(7) . .
N9 C9 H9 124.3 . .
C10 C9 H9 124.3 . .
C11 C10 C9 105.5(7) . .
C11 C10 H10 127.2 . .
C9 C10 H10 127.2 . .
C10 C11 N12 107.5(7) . .
C10 C11 H11 126.2 . .
N12 C11 H11 126.2 . .
N10 C12 C13 112.0(7) . .
N10 C12 H12 124.0 . .
C13 C12 H12 124.0 . .
C14 C13 C12 105.7(6) . .
C14 C13 H13 127.1 . .
C12 C13 H13 127.1 . .
N13 C14 C13 106.4(6) . .
N13 C14 H14 126.8 . .
C13 C14 H14 126.8 . .
N11 C15 C16 111.8(8) . .
N11 C15 H15 124.1 . .
C16 C15 H15 124.1 . .
C17 C16 C15 105.6(8) . .
C17 C16 H16 127.2 . .
C15 C16 H16 127.2 . .
N14 C17 C16 107.5(8) . .
N14 C17 H17 126.3 . .
C16 C17 H17 126.3 . .
N12 C18 N13 112.0(6) . .
N12 C18 N14 110.6(6) . .
N13 C18 N14 110.4(6) . .
N12 C18 H18 107.9 . .
N13 C18 H18 107.9 . .
N14 C18 H18 107.9 . .
N15 C19 C20 112.6(8) . .
N15 C19 H19 123.7 . .
C20 C19 H19 123.7 . .
C19 C20 C21 105.7(8) . .
C19 C20 H20 127.1 . .
C21 C20 H20 127.1 . .
N18 C21 C20 105.9(8) . .
N18 C21 H21 127.0 . .
C20 C21 H21 127.0 . .
N16 C22 C23 111.4(9) . .
N16 C22 H22 124.3 . .
C23 C22 H22 124.3 . .
C24 C23 C22 105.7(9) . .
C24 C23 H23 127.1 . .
C22 C23 H23 127.1 . .
C23 C24 N19 106.5(8) . .
C23 C24 H24 126.8 . .
N19 C24 H24 126.8 . .
N17 C25 C26 109.7(9) . .
N17 C25 H25 125.1 . .
C26 C25 H25 125.1 . .
C27 C26 C25 106.8(10) . .
C27 C26 H26 126.6 . .
C25 C26 H26 126.6 . .
C26 C27 N20 107.1(10) . .
C26 C27 H27 126.5 . .
N20 C27 H27 126.5 . .
N19 C28 N18 110.5(6) . .
N19 C28 N20 111.6(6) . .
N18 C28 N20 111.1(7) . .
N19 C28 H28 107.8 . .
N18 C28 H28 107.8 . .
N20 C28 H28 107.8 . .
O1 Co1 N8 88.2(2) . 2_565
O1 Co1 N1 95.9(2) . .
N8 Co1 N1 93.1(2) 2_565 .
O1 Co1 N9 175.0(2) . .
N8 Co1 N9 90.1(2) 2_565 .
N1 Co1 N9 88.8(2) . .
O1 Co1 N10 95.2(2) . .
N8 Co1 N10 173.8(2) 2_565 .
N1 Co1 N10 91.8(2) . .
N9 Co1 N10 86.2(2) . .
O1 Co1 N11 93.9(2) . .
N8 Co1 N11 92.6(2) 2_565 .
N1 Co1 N11 168.8(2) . .
N9 Co1 N11 81.5(2) . .
N10 Co1 N11 81.9(2) . .
N16 Co2 N16 180.000(1) 2_656 .
N16 Co2 N15 84.5(3) 2_656 2_656
N16 Co2 N15 95.5(3) . 2_656
N16 Co2 N15 95.5(3) 2_656 .
N16 Co2 N15 84.5(3) . .
N15 Co2 N15 180.0 2_656 .
N16 Co2 N17 84.4(3) 2_656 2_656
N16 Co2 N17 95.6(3) . 2_656
N15 Co2 N17 83.5(3) 2_656 2_656
N15 Co2 N17 96.5(3) . 2_656
N16 Co2 N17 95.6(3) 2_656 .
N16 Co2 N17 84.4(3) . .
N15 Co2 N17 96.5(3) 2_656 .
N15 Co2 N17 83.5(3) . .
N17 Co2 N17 180.0(4) 2_656 .
C1 N1 Co1 159.9(5) . .
C8 N8 Co1 170.7(5) . 2_565
C9 N9 N12 104.8(6) . .
C9 N9 Co1 136.3(5) . .
N12 N9 Co1 118.8(4) . .
C12 N10 N13 104.4(5) . .
C12 N10 Co1 137.5(5) . .
N13 N10 Co1 118.1(4) . .
C15 N11 N14 103.5(6) . .
C15 N11 Co1 138.7(6) . .
N14 N11 Co1 117.7(4) . .
C11 N12 N9 110.7(6) . .
C11 N12 C18 128.7(6) . .
N9 N12 C18 119.4(6) . .
C14 N13 N10 111.4(6) . .
C14 N13 C18 128.3(6) . .
N10 N13 C18 120.1(5) . .
C17 N14 N11 111.7(7) . .
C17 N14 C18 129.4(7) . .
N11 N14 C18 118.9(6) . .
C19 N15 N18 104.1(7) . .
C19 N15 Co2 137.8(6) . .
N18 N15 Co2 117.8(5) . .
C22 N16 N19 103.8(8) . .
C22 N16 Co2 137.2(7) . .
N19 N16 Co2 118.6(5) . .
C25 N17 N20 104.8(7) . .
C25 N17 Co2 137.2(6) . .
N20 N17 Co2 118.1(5) . .
C21 N18 N15 111.7(7) . .
C21 N18 C28 129.0(7) . .
N15 N18 C28 119.3(6) . .
N16 N19 C24 112.6(7) . .
N16 N19 C28 119.3(7) . .
C24 N19 C28 128.0(7) . .
C27 N20 N17 111.5(8) . .
C27 N20 C28 130.1(8) . .
N17 N20 C28 118.1(6) . .
Co1 O1 H1A 111.6 . .
Co1 O1 H1B 109.8 . .
H1A O1 H1B 109.9 . .
H2A O2 H2B 108.2 . .
H3A O3 H3B 110.7 . .
C4 W1 C2 110.3(3) . .
C4 W1 C7 79.8(3) . .
C2 W1 C7 144.3(3) . .
C4 W1 C5 142.1(3) . .
C2 W1 C5 82.4(3) . .
C7 W1 C5 111.2(3) . .
C4 W1 C1 74.1(3) . .
C2 W1 C1 71.5(2) . .
C7 W1 C1 142.5(3) . .
C5 W1 C1 76.9(3) . .
C4 W1 C3 73.9(3) . .
C2 W1 C3 73.6(3) . .
C7 W1 C3 76.9(3) . .
C5 W1 C3 143.0(3) . .
C1 W1 C3 119.5(3) . .
C4 W1 C6 144.9(3) . .
C2 W1 C6 78.4(3) . .
C7 W1 C6 75.5(3) . .
C5 W1 C6 71.3(3) . .
C1 W1 C6 138.5(3) . .
C3 W1 C6 76.5(3) . .
C4 W1 C8 76.3(3) . .
C2 W1 C8 142.2(3) . .
C7 W1 C8 72.8(3) . .
C5 W1 C8 73.1(2) . .
C1 W1 C8 75.1(2) . .
C3 W1 C8 140.6(3) . .
C6 W1 C8 118.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.149(8) .
C1 W1 2.154(8) .
C2 N2 1.138(8) .
C2 W1 2.136(7) .
C3 N3 1.148(9) .
C3 W1 2.155(7) .
C4 N4 1.145(9) .
C4 W1 2.135(7) .
C5 N5 1.145(9) .
C5 W1 2.153(7) .
C6 N6 1.139(9) .
C6 W1 2.160(7) .
C7 N7 1.153(9) .
C7 W1 2.141(7) .
C8 N8 1.137(8) .
C8 W1 2.160(7) .
C9 N9 1.304(9) .
C9 C10 1.389(11) .
C9 H9 0.9300 .
C10 C11 1.337(11) .
C10 H10 0.9300 .
C11 N12 1.341(9) .
C11 H11 0.9300 .
C12 N10 1.306(8) .
C12 C13 1.371(10) .
C12 H12 0.9300 .
C13 C14 1.360(10) .
C13 H13 0.9300 .
C14 N13 1.338(8) .
C14 H14 0.9300 .
C15 N11 1.314(9) .
C15 C16 1.374(12) .
C15 H15 0.9300 .
C16 C17 1.337(12) .
C16 H16 0.9300 .
C17 N14 1.320(9) .
C17 H17 0.9300 .
C18 N12 1.430(8) .
C18 N13 1.433(9) .
C18 N14 1.452(9) .
C18 H18 0.9800 .
C19 N15 1.304(9) .
C19 C20 1.359(12) .
C19 H19 0.9300 .
C20 C21 1.364(12) .
C20 H20 0.9300 .
C21 N18 1.339(10) .
C21 H21 0.9300 .
C22 N16 1.313(10) .
C22 C23 1.409(13) .
C22 H22 0.9300 .
C23 C24 1.328(12) .
C23 H23 0.9300 .
C24 N19 1.354(10) .
C24 H24 0.9300 .
C25 N17 1.319(10) .
C25 C26 1.399(14) .
C25 H25 0.9300 .
C26 C27 1.330(14) .
C26 H26 0.9300 .
C27 N20 1.331(10) .
C27 H27 0.9300 .
C28 N19 1.440(9) .
C28 N18 1.441(9) .
C28 N20 1.441(10) .
C28 H28 0.9800 .
Co1 O1 2.043(5) .
Co1 N8 2.082(6) 2_565
Co1 N1 2.117(6) .
Co1 N9 2.120(6) .
Co1 N10 2.132(5) .
Co1 N11 2.179(6) .
Co2 N16 2.090(7) 2_656
Co2 N16 2.090(7) .
Co2 N15 2.114(7) 2_656
Co2 N15 2.114(7) .
Co2 N17 2.130(7) 2_656
Co2 N17 2.130(7) .
N8 Co1 2.082(6) 2_565
N9 N12 1.361(7) .
N10 N13 1.362(7) .
N11 N14 1.365(8) .
N15 N18 1.357(8) .
N16 N19 1.348(9) .
N17 N20 1.367(9) .
O1 H1A 0.8500 .
O1 H1B 0.8500 .
O2 H2A 0.8500 .
O2 H2B 0.8499 .
O3 H3A 0.8500 .
O3 H3B 0.8502 .
