#------------------------------------------------------------------------------
#$Date: 2025-08-21 00:01:10 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301838 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/07/4320709.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_4320709
loop_
_publ_author_name
'James H. Espenson'
'Xiaopeng Shan'
'David W. Lahti'
'Timothy M. Rockey'
'Basudeb Saha'
'Arkady Ellern'
_publ_contact_author_address
; Department of Chemistry 
   University of Alberta 
   Edmonton Alberta T6G 2G2 
   Canada 
;
_publ_contact_author_email       whoever@ualberta.ca
_publ_contact_author_fax         1(780)4928231
_publ_contact_author_name        'Dr Robert B Jordan'
_publ_contact_author_phone       1(780)4925551
_publ_section_title
;
 Isomer Formation and Other Issues in the Substitution Reactions of
 Oxorhenium(V) Complexes of 2,2'-Bipyridine and Related Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6717
_journal_page_last               6724
_journal_paper_doi               10.1021/ic010613s
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C3 H18 Co2 N6 O9'
_chemical_formula_weight         400.09
_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           'manual editing of SHELXL template'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.489(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.8070(14)
_cell_length_b                   10.5466(9)
_cell_length_c                   13.7297(12)
_cell_measurement_reflns_used    3048
_cell_measurement_temperature    193(2)
_cell_volume                     2496.5(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_sigmaI/netI    0.0635
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12698
_diffrn_reflns_theta_full        25.70
_diffrn_reflns_theta_max         25.70
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    2.716
_exptl_absorpt_correction_T_max  0.8943
_exptl_absorpt_correction_T_min  0.6666
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'deep green'
_exptl_crystal_density_diffrn    2.129
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         4740
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0437P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.0998
_reflns_number_gt                3338
_reflns_number_total             4740
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010613s.cif
_cod_data_source_block           rbj9902
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4320709
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.38607(3) -0.23990(5) 0.00326(4) 0.01477(16) Uani 1 1 d . . .
O11 O 0.29125(16) -0.2486(3) 0.0448(2) 0.0192(7) Uani 1 1 d . . .
O12 O 0.38604(16) -0.1206(3) 0.1086(2) 0.0186(7) Uani 1 1 d . . .
O13 O 0.27889(17) -0.1132(3) 0.1672(2) 0.0256(8) Uani 1 1 d . . .
O14 O 0.35719(16) -0.1132(3) -0.0981(2) 0.0212(7) Uani 1 1 d . . .
O15 O 0.47412(15) -0.1827(3) -0.0414(2) 0.0180(7) Uani 1 1 d . . .
O16 O 0.45067(18) -0.0399(3) -0.1680(2) 0.0268(8) Uani 1 1 d . . .
O17 O 0.42660(16) -0.3839(3) 0.0835(2) 0.0201(7) Uani 1 1 d . . .
O18 O 0.37332(17) -0.3914(3) -0.0767(2) 0.0206(7) Uani 1 1 d . . .
O19 O 0.4077(2) -0.5749(3) 0.0082(2) 0.0324(8) Uani 1 1 d . . .
C11 C 0.3162(2) -0.1593(4) 0.1113(3) 0.0154(9) Uani 1 1 d . . .
C12 C 0.4290(2) -0.1063(4) -0.1059(3) 0.0173(10) Uani 1 1 d . . .
C13 C 0.4026(3) -0.4575(4) 0.0047(3) 0.0210(10) Uani 1 1 d . . .
Co2 Co 0.11907(3) 0.26492(6) -0.01477(4) 0.01755(16) Uani 1 1 d . . .
O21 O 0.21422(16) 0.2515(3) -0.0542(2) 0.0215(7) Uani 1 1 d . . .
O22 O 0.10699(16) 0.1586(3) -0.1319(2) 0.0208(7) Uani 1 1 d . . .
O23 O 0.21715(18) 0.1140(3) -0.1781(3) 0.0307(8) Uani 1 1 d . . .
O24 O 0.14631(17) 0.3972(3) 0.0825(2) 0.0229(7) Uani 1 1 d . . .
O25 O 0.09759(16) 0.4297(3) -0.0770(2) 0.0203(7) Uani 1 1 d . . .
O26 O 0.13087(17) 0.5981(3) 0.0257(2) 0.0252(8) Uani 1 1 d . . .
O27 O 0.02439(16) 0.2289(3) 0.0227(2) 0.0222(7) Uani 1 1 d . . .
O28 O 0.12992(16) 0.1203(3) 0.0711(2) 0.0233(7) Uani 1 1 d . . .
O29 O 0.02699(19) 0.0655(3) 0.1292(3) 0.0347(9) Uani 1 1 d . . .
C21 C 0.1813(2) 0.1706(4) -0.1258(3) 0.0189(10) Uani 1 1 d . . .
C22 C 0.1244(2) 0.4827(4) 0.0115(3) 0.0195(10) Uani 1 1 d . . .
C23 C 0.0584(2) 0.1335(4) 0.0780(3) 0.0206(10) Uani 1 1 d . . .
Co3 Co 0.37302(3) 0.27402(5) -0.27445(4) 0.01213(15) Uani 1 1 d . . .
N31 N 0.38271(19) 0.2134(3) -0.1377(2) 0.0158(8) Uani 1 1 d . . .
H31A H 0.3910 0.2804 -0.0946 0.019 Uiso 1 1 calc R . .
H31B H 0.4234 0.1587 -0.1203 0.019 Uiso 1 1 calc R . .
H31C H 0.3383 0.1729 -0.1344 0.019 Uiso 1 1 calc R . .
N32 N 0.3617(2) 0.3380(3) -0.4121(2) 0.0174(8) Uani 1 1 d . . .
H32A H 0.3162 0.3097 -0.4524 0.021 Uiso 1 1 calc R . .
H32B H 0.4019 0.3097 -0.4361 0.021 Uiso 1 1 calc R . .
H32C H 0.3617 0.4243 -0.4114 0.021 Uiso 1 1 calc R . .
N33 N 0.42453(19) 0.4314(3) -0.2211(2) 0.0155(8) Uani 1 1 d . . .
H33A H 0.3905 0.4821 -0.1997 0.019 Uiso 1 1 calc R . .
H33B H 0.4414 0.4719 -0.2702 0.019 Uiso 1 1 calc R . .
H33C H 0.4657 0.4137 -0.1685 0.019 Uiso 1 1 calc R . .
N34 N 0.3241(2) 0.1119(3) -0.3269(3) 0.0187(8) Uani 1 1 d . . .
H34A H 0.2725 0.1150 -0.3297 0.022 Uiso 1 1 calc R . .
H34B H 0.3465 0.0476 -0.2855 0.022 Uiso 1 1 calc R . .
H34C H 0.3306 0.0982 -0.3897 0.022 Uiso 1 1 calc R . .
N35 N 0.47338(19) 0.2008(3) -0.2772(3) 0.0206(8) Uani 1 1 d . . .
H35A H 0.4857 0.1381 -0.2303 0.025 Uiso 1 1 calc R . .
H35B H 0.5105 0.2621 -0.2632 0.025 Uiso 1 1 calc R . .
H35C H 0.4707 0.1679 -0.3392 0.025 Uiso 1 1 calc R . .
N36 N 0.27283(18) 0.3491(3) -0.2715(3) 0.0204(9) Uani 1 1 d . . .
H36A H 0.2725 0.4326 -0.2883 0.024 Uiso 1 1 calc R . .
H36B H 0.2654 0.3414 -0.2086 0.024 Uiso 1 1 calc R . .
H36C H 0.2341 0.3081 -0.3163 0.024 Uiso 1 1 calc R . .
Co4 Co 0.12915(3) -0.26456(5) 0.27634(4) 0.01298(15) Uani 1 1 d . . .
N41 N 0.1454(2) -0.3545(3) 0.4058(3) 0.0203(8) Uani 1 1 d . . .
H41A H 0.1681 -0.3012 0.4568 0.024 Uiso 1 1 calc R . .
H41B H 0.1767 -0.4227 0.4059 0.024 Uiso 1 1 calc R . .
H41C H 0.0989 -0.3811 0.4145 0.024 Uiso 1 1 calc R . .
N42 N 0.1138(2) -0.1742(3) 0.1494(2) 0.0175(8) Uani 1 1 d . . .
H42A H 0.0834 -0.1050 0.1502 0.021 Uiso 1 1 calc R . .
H42B H 0.0903 -0.2263 0.0980 0.021 Uiso 1 1 calc R . .
H42C H 0.1605 -0.1489 0.1407 0.021 Uiso 1 1 calc R . .
N43 N 0.04030(19) -0.1739(3) 0.3045(3) 0.0193(8) Uani 1 1 d . . .
H43A H 0.0255 -0.2131 0.3556 0.023 Uiso 1 1 calc R . .
H43B H 0.0001 -0.1740 0.2484 0.023 Uiso 1 1 calc R . .
H43C H 0.0542 -0.0925 0.3224 0.023 Uiso 1 1 calc R . .
N44 N 0.21507(19) -0.3564(3) 0.2433(3) 0.0203(8) Uani 1 1 d . . .
H44A H 0.2608 -0.3207 0.2765 0.024 Uiso 1 1 calc R . .
H44B H 0.2103 -0.3523 0.1758 0.024 Uiso 1 1 calc R . .
H44C H 0.2140 -0.4389 0.2622 0.024 Uiso 1 1 calc R . .
N45 N 0.06005(19) -0.4023(3) 0.2140(3) 0.0207(9) Uani 1 1 d . . .
H45A H 0.0234 -0.4149 0.2489 0.025 Uiso 1 1 calc R . .
H45B H 0.0881 -0.4746 0.2149 0.025 Uiso 1 1 calc R . .
H45C H 0.0365 -0.3814 0.1493 0.025 Uiso 1 1 calc R . .
N46 N 0.19927(19) -0.1293(3) 0.3423(3) 0.0176(8) Uani 1 1 d . . .
H46A H 0.1749 -0.0530 0.3290 0.021 Uiso 1 1 calc R . .
H46B H 0.2426 -0.1293 0.3186 0.021 Uiso 1 1 calc R . .
H46C H 0.2128 -0.1427 0.4099 0.021 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'
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
O14 Co1 O17 166.84(13) . . ?
O14 Co1 O11 98.87(12) . . ?
O17 Co1 O11 91.40(13) . . ?
O14 Co1 O12 92.27(13) . . ?
O17 Co1 O12 99.13(13) . . ?
O11 Co1 O12 68.89(12) . . ?
O14 Co1 O15 68.82(12) . . ?
O17 Co1 O15 102.32(12) . . ?
O11 Co1 O15 164.25(12) . . ?
O12 Co1 O15 100.90(12) . . ?
O14 Co1 O18 101.22(13) . . ?
O17 Co1 O18 68.97(12) . . ?
O11 Co1 O18 98.27(12) . . ?
O12 Co1 O18 162.83(13) . . ?
O15 Co1 O18 93.91(13) . . ?
C11 O11 Co1 90.2(2) . . ?
C11 O12 Co1 89.8(2) . . ?
C12 O14 Co1 90.5(2) . . ?
C12 O15 Co1 89.9(2) . . ?
C13 O17 Co1 89.8(3) . . ?
C13 O18 Co1 89.4(2) . . ?
O13 C11 O11 125.1(4) . . ?
O13 C11 O12 123.6(4) . . ?
O11 C11 O12 111.2(4) . . ?
O16 C12 O15 124.7(4) . . ?
O16 C12 O14 124.5(4) . . ?
O15 C12 O14 110.8(4) . . ?
O19 C13 O18 125.0(4) . . ?
O19 C13 O17 123.5(4) . . ?
O18 C13 O17 111.5(4) . . ?
O28 Co2 O24 100.56(14) . . ?
O28 Co2 O21 98.97(13) . . ?
O24 Co2 O21 99.47(13) . . ?
O28 Co2 O27 68.65(13) . . ?
O24 Co2 O27 92.50(13) . . ?
O21 Co2 O27 164.30(13) . . ?
O28 Co2 O22 91.34(13) . . ?
O24 Co2 O22 164.77(13) . . ?
O21 Co2 O22 69.01(12) . . ?
O27 Co2 O22 100.74(13) . . ?
O28 Co2 O25 166.07(13) . . ?
O24 Co2 O25 68.86(12) . . ?
O21 Co2 O25 91.90(12) . . ?
O27 Co2 O25 101.93(12) . . ?
O22 Co2 O25 100.73(12) . . ?
C21 O21 Co2 89.9(2) . . ?
C21 O22 Co2 89.4(2) . . ?
C22 O24 Co2 90.4(3) . . ?
C22 O25 Co2 89.3(2) . . ?
C23 O27 Co2 89.8(2) . . ?
C23 O28 Co2 90.6(3) . . ?
O23 C21 O22 125.5(4) . . ?
O23 C21 O21 123.2(4) . . ?
O22 C21 O21 111.3(4) . . ?
O26 C22 O24 124.2(4) . . ?
O26 C22 O25 124.3(4) . . ?
O24 C22 O25 111.4(4) . . ?
O29 C23 O28 124.7(4) . . ?
O29 C23 O27 124.4(4) . . ?
O28 C23 O27 110.9(4) . . ?
N33 Co3 N31 89.85(14) . . ?
N33 Co3 N35 89.85(15) . . ?
N31 Co3 N35 91.59(14) . . ?
N33 Co3 N36 89.62(14) . . ?
N31 Co3 N36 88.52(14) . . ?
N35 Co3 N36 179.46(16) . . ?
N33 Co3 N32 89.67(14) . . ?
N31 Co3 N32 178.76(15) . . ?
N35 Co3 N32 89.56(15) . . ?
N36 Co3 N32 90.33(14) . . ?
N33 Co3 N34 178.17(14) . . ?
N31 Co3 N34 89.54(15) . . ?
N35 Co3 N34 88.45(15) . . ?
N36 Co3 N34 92.08(15) . . ?
N32 Co3 N34 90.98(14) . . ?
N42 Co4 N45 92.28(15) . . ?
N42 Co4 N44 88.72(15) . . ?
N45 Co4 N44 88.49(15) . . ?
N42 Co4 N46 89.30(15) . . ?
N45 Co4 N46 178.40(15) . . ?
N44 Co4 N46 91.31(14) . . ?
N42 Co4 N43 89.88(14) . . ?
N45 Co4 N43 89.89(14) . . ?
N44 Co4 N43 177.82(14) . . ?
N46 Co4 N43 90.34(14) . . ?
N42 Co4 N41 179.35(15) . . ?
N45 Co4 N41 88.37(15) . . ?
N44 Co4 N41 91.39(15) . . ?
N46 Co4 N41 90.06(14) . . ?
N43 Co4 N41 90.03(15) . . ?
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
Co1 O14 1.905(3) . ?
Co1 O17 1.908(3) . ?
Co1 O11 1.915(3) . ?
Co1 O12 1.917(3) . ?
Co1 O15 1.918(3) . ?
Co1 O18 1.919(3) . ?
O11 C11 1.309(5) . ?
O12 C11 1.319(5) . ?
O13 C11 1.233(5) . ?
O14 C12 1.312(5) . ?
O15 C12 1.312(5) . ?
O16 C12 1.237(5) . ?
O17 C13 1.312(5) . ?
O18 C13 1.310(5) . ?
O19 C13 1.242(5) . ?
Co2 O28 1.908(3) . ?
Co2 O24 1.908(3) . ?
Co2 O21 1.909(3) . ?
Co2 O27 1.920(3) . ?
Co2 O22 1.928(3) . ?
Co2 O25 1.932(3) . ?
O21 C21 1.323(5) . ?
O22 C21 1.310(5) . ?
O23 C21 1.229(5) . ?
O24 C22 1.314(5) . ?
O25 C22 1.314(5) . ?
O26 C22 1.233(5) . ?
O27 C23 1.313(5) . ?
O28 C23 1.307(5) . ?
O29 C23 1.232(5) . ?
Co3 N33 1.949(3) . ?
Co3 N31 1.949(3) . ?
Co3 N35 1.956(3) . ?
Co3 N36 1.961(3) . ?
Co3 N32 1.969(3) . ?
Co3 N34 1.972(3) . ?
Co4 N42 1.945(3) . ?
Co4 N45 1.957(3) . ?
Co4 N44 1.958(3) . ?
Co4 N46 1.962(3) . ?
Co4 N43 1.968(3) . ?
Co4 N41 1.972(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O14 Co1 O11 C11 -89.2(2) . . . . ?
O17 Co1 O11 C11 99.0(2) . . . . ?
O12 Co1 O11 C11 -0.2(2) . . . . ?
O15 Co1 O11 C11 -51.8(6) . . . . ?
O18 Co1 O11 C11 168.0(2) . . . . ?
O14 Co1 O12 C11 98.9(2) . . . . ?
O17 Co1 O12 C11 -87.7(2) . . . . ?
O11 Co1 O12 C11 0.2(2) . . . . ?
O15 Co1 O12 C11 167.7(2) . . . . ?
O18 Co1 O12 C11 -43.1(5) . . . . ?
O17 Co1 O14 C12 -48.0(7) . . . . ?
O11 Co1 O14 C12 171.1(2) . . . . ?
O12 Co1 O14 C12 102.1(2) . . . . ?
O15 Co1 O14 C12 1.3(2) . . . . ?
O18 Co1 O14 C12 -88.6(2) . . . . ?
O14 Co1 O15 C12 -1.3(2) . . . . ?
O17 Co1 O15 C12 168.6(2) . . . . ?
O11 Co1 O15 C12 -41.4(6) . . . . ?
O12 Co1 O15 C12 -89.5(2) . . . . ?
O18 Co1 O15 C12 99.3(2) . . . . ?
O14 Co1 O17 C13 -46.5(7) . . . . ?
O11 Co1 O17 C13 95.0(2) . . . . ?
O12 Co1 O17 C13 163.8(2) . . . . ?
O15 Co1 O17 C13 -92.8(2) . . . . ?
O18 Co1 O17 C13 -3.3(2) . . . . ?
O14 Co1 O18 C13 174.2(2) . . . . ?
O17 Co1 O18 C13 3.3(2) . . . . ?
O11 Co1 O18 C13 -85.0(3) . . . . ?
O12 Co1 O18 C13 -44.7(5) . . . . ?
O15 Co1 O18 C13 105.0(2) . . . . ?
Co1 O11 C11 O13 177.9(4) . . . . ?
Co1 O11 C11 O12 0.3(3) . . . . ?
Co1 O12 C11 O13 -177.9(4) . . . . ?
Co1 O12 C11 O11 -0.3(3) . . . . ?
Co1 O15 C12 O16 -175.9(4) . . . . ?
Co1 O15 C12 O14 1.8(3) . . . . ?
Co1 O14 C12 O16 175.9(4) . . . . ?
Co1 O14 C12 O15 -1.9(3) . . . . ?
Co1 O18 C13 O19 175.5(4) . . . . ?
Co1 O18 C13 O17 -4.9(3) . . . . ?
Co1 O17 C13 O19 -175.5(4) . . . . ?
Co1 O17 C13 O18 4.9(4) . . . . ?
O28 Co2 O21 C21 84.3(2) . . . . ?
O24 Co2 O21 C21 -173.4(2) . . . . ?
O27 Co2 O21 C21 47.4(6) . . . . ?
O22 Co2 O21 C21 -3.7(2) . . . . ?
O25 Co2 O21 C21 -104.5(2) . . . . ?
O28 Co2 O22 C21 -95.3(2) . . . . ?
O24 Co2 O22 C21 46.2(6) . . . . ?
O21 Co2 O22 C21 3.8(2) . . . . ?
O27 Co2 O22 C21 -163.9(2) . . . . ?
O25 Co2 O22 C21 91.7(2) . . . . ?
O28 Co2 O24 C22 -171.3(2) . . . . ?
O21 Co2 O24 C22 87.6(3) . . . . ?
O27 Co2 O24 C22 -102.6(2) . . . . ?
O22 Co2 O24 C22 47.9(6) . . . . ?
O25 Co2 O24 C22 -0.7(2) . . . . ?
O28 Co2 O25 C22 42.7(6) . . . . ?
O24 Co2 O25 C22 0.7(2) . . . . ?
O21 Co2 O25 C22 -98.7(2) . . . . ?
O27 Co2 O25 C22 88.8(2) . . . . ?
O22 Co2 O25 C22 -167.7(2) . . . . ?
O28 Co2 O27 C23 1.4(2) . . . . ?
O24 Co2 O27 C23 -99.0(3) . . . . ?
O21 Co2 O27 C23 40.8(6) . . . . ?
O22 Co2 O27 C23 88.6(3) . . . . ?
O25 Co2 O27 C23 -167.9(2) . . . . ?
O24 Co2 O28 C23 87.2(3) . . . . ?
O21 Co2 O28 C23 -171.4(2) . . . . ?
O27 Co2 O28 C23 -1.4(2) . . . . ?
O22 Co2 O28 C23 -102.4(2) . . . . ?
O25 Co2 O28 C23 47.8(6) . . . . ?
Co2 O22 C21 O23 173.8(4) . . . . ?
Co2 O22 C21 O21 -5.4(3) . . . . ?
Co2 O21 C21 O23 -173.8(4) . . . . ?
Co2 O21 C21 O22 5.5(3) . . . . ?
Co2 O24 C22 O26 -176.5(4) . . . . ?
Co2 O24 C22 O25 1.1(3) . . . . ?
Co2 O25 C22 O26 176.5(4) . . . . ?
Co2 O25 C22 O24 -1.1(3) . . . . ?
Co2 O28 C23 O29 -178.2(4) . . . . ?
Co2 O28 C23 O27 2.0(3) . . . . ?
Co2 O27 C23 O29 178.2(4) . . . . ?
Co2 O27 C23 O28 -2.0(3) . . . . ?
loop_
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1 PubChem 139134008
