#------------------------------------------------------------------------------
#$Date: 2024-02-04 14:22:49 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289593 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/29/7062943.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_7062943
loop_
_publ_author_name
'Lagunova, Varvara'
'Rubilkin, Pavel'
'Filatov, Evgeny'
'Plyusnin, Pavel'
'Kuratieva, Natalia'
'Korenev, Sergey'
_publ_section_title
;
 Oxalatocuprate(ii) hexaammincobalt(iii) as a precursor of metastable
 solid solutions in the Co--Cu system
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1578
_journal_page_last               1586
_journal_paper_doi               10.1039/D3NJ05311C
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C12 H4 Cu3 O26, 2(Co H18 N6), 2(H2 O)'
_chemical_formula_sum            'C12 H44 Co2 Cu3 N12 O28'
_chemical_formula_weight         1113.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-10-17 deposited with the CCDC.	2023-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.496(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6581(7)
_cell_length_b                   28.4118(14)
_cell_length_c                   13.7644(10)
_cell_measurement_reflns_used    2050
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.29
_cell_measurement_theta_min      2.41
_cell_volume                     3621.5(4)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method       'φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0968
_diffrn_reflns_av_unetI/netI     0.1060
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24701
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.250
_diffrn_reflns_theta_max         26.421
_diffrn_reflns_theta_min         1.701
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.747
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_description       plate
_exptl_crystal_F_000             2260
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_exptl_transmission_factor_max   0.745
_exptl_transmission_factor_min   0.651
_refine_diff_density_max         0.953
_refine_diff_density_min         -0.773
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       0.00062(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7404
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.1204
_refine_ls_R_factor_gt           0.0587
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0412P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1084
_refine_ls_wR_factor_ref         0.1274
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4189
_reflns_number_total             7404
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            d3nj05311c2.cif
_cod_data_source_block           rpa009
_cod_depositor_comments          'Adding full bibliography for 7062943.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7062943
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.513
_shelx_estimated_absorpt_t_max   0.898
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.75958(9) 0.57235(3) 0.25129(6) 0.0142(2) Uani 1 1 d . . . . .
Cu2 Cu 0.40111(9) 0.17651(3) 0.28462(6) 0.0144(2) Uani 1 1 d . . . . .
Cu3 Cu 0.57232(9) 0.37483(2) 0.26496(6) 0.0136(2) Uani 1 1 d . . . . .
Co1 Co 0.0000 0.0000 0.0000 0.0095(3) Uani 1 2 d S . P . .
Co2 Co 0.5000 0.0000 0.5000 0.0091(3) Uani 1 2 d S . P . .
Co3 Co 0.65040(9) 0.24901(2) 0.03270(6) 0.0093(2) Uani 1 1 d . . . . .
O1W O 0.3632(6) 0.40799(16) 0.1230(4) 0.0239(12) Uani 1 1 d D . . . .
O2W O 0.5190(6) 0.18082(16) 0.6655(4) 0.0251(12) Uani 1 1 d D . . . .
O3W O 0.6279(5) 0.06844(15) 0.8654(4) 0.0234(12) Uani 1 1 d D . . . .
O4W O 0.7826(6) 0.34058(15) 0.4082(4) 0.0260(12) Uani 1 1 d D . . . .
O11 O 0.9541(5) 0.57592(13) 0.2381(3) 0.0139(10) Uani 1 1 d . . . . .
O12 O 0.8505(5) 0.57693(13) 0.3956(3) 0.0135(10) Uani 1 1 d . . . . .
O13 O 0.6657(5) 0.58048(14) 0.1089(3) 0.0160(11) Uani 1 1 d . . . . .
O14 O 0.5679(5) 0.56416(14) 0.2657(3) 0.0161(10) Uani 1 1 d . . . . .
O15 O 1.1732(5) 0.55709(15) 0.3354(4) 0.0220(11) Uani 1 1 d . . . . .
O16 O 1.0711(5) 0.57444(15) 0.5033(4) 0.0228(12) Uani 1 1 d . . . . .
O17 O 0.4530(5) 0.56456(15) -0.0007(4) 0.0229(12) Uani 1 1 d . . . . .
O18 O 0.3514(5) 0.54427(15) 0.1646(4) 0.0226(11) Uani 1 1 d . . . . .
O21 O 0.2068(5) 0.17242(13) 0.2966(3) 0.0162(10) Uani 1 1 d . . . . .
O22 O 0.3133(5) 0.17387(13) 0.1412(3) 0.0155(10) Uani 1 1 d . . . . .
O23 O 0.4957(5) 0.16907(13) 0.4270(3) 0.0142(10) Uani 1 1 d . . . . .
O24 O 0.5942(5) 0.18609(14) 0.2712(3) 0.0164(11) Uani 1 1 d . . . . .
O25 O -0.0136(5) 0.19117(16) 0.1994(4) 0.0265(12) Uani 1 1 d . . . . .
O26 O 0.0958(6) 0.18547(15) 0.0324(4) 0.0269(12) Uani 1 1 d . . . . .
O27 O 0.7169(5) 0.17610(14) 0.5357(4) 0.0202(11) Uani 1 1 d . . . . .
O28 O 0.8118(5) 0.20365(15) 0.3716(3) 0.0208(11) Uani 1 1 d . . . . .
O31 O 0.6434(5) 0.43947(12) 0.2857(3) 0.0126(10) Uani 1 1 d . . . . .
O32 O 0.7027(5) 0.36885(13) 0.1821(3) 0.0146(10) Uani 1 1 d . . . . .
O33 O 0.4427(5) 0.38107(12) 0.3486(3) 0.0147(10) Uani 1 1 d . . . . .
O34 O 0.5013(5) 0.31051(12) 0.2437(3) 0.0115(10) Uani 1 1 d . . . . .
O35 O 0.7964(5) 0.48674(13) 0.2365(3) 0.0147(10) Uani 1 1 d . . . . .
O36 O 0.8769(5) 0.40891(13) 0.1421(3) 0.0151(10) Uani 1 1 d . . . . .
O37 O 0.2671(5) 0.34112(13) 0.3874(3) 0.0154(10) Uani 1 1 d . . . . .
O38 O 0.3497(5) 0.26262(13) 0.2936(3) 0.0179(11) Uani 1 1 d . . . . .
N11 N 0.0244(6) 0.06640(15) 0.0416(4) 0.0117(12) Uani 1 1 d . . . . .
H11A H -0.0001 0.0851 -0.0144 0.018 Uiso 1 1 calc R U . . .
H11B H 0.1181 0.0717 0.0768 0.018 Uiso 1 1 calc R U . . .
H11C H -0.0336 0.0731 0.0816 0.018 Uiso 1 1 calc R U . . .
N12 N 0.1035(6) -0.01662(15) 0.1393(4) 0.0130(13) Uani 1 1 d . . . . .
H12A H 0.1871 -0.0317 0.1404 0.020 Uiso 1 1 calc R U . . .
H12B H 0.0476 -0.0359 0.1651 0.020 Uiso 1 1 calc R U . . .
H12C H 0.1242 0.0100 0.1775 0.020 Uiso 1 1 calc R U . . .
N13 N 0.1860(6) 0.00138(16) -0.0323(4) 0.0161(13) Uani 1 1 d . . . . .
H13A H 0.2235 -0.0282 -0.0273 0.024 Uiso 1 1 calc R U . . .
H13B H 0.2484 0.0207 0.0121 0.024 Uiso 1 1 calc R U . . .
H13C H 0.1721 0.0123 -0.0965 0.024 Uiso 1 1 calc R U . . .
N21 N 0.6846(6) 0.00454(16) 0.4697(4) 0.0164(13) Uani 1 1 d . . . . .
H21A H 0.6740 -0.0053 0.4051 0.025 Uiso 1 1 calc R U . . .
H21B H 0.7507 -0.0139 0.5135 0.025 Uiso 1 1 calc R U . . .
H21C H 0.7153 0.0350 0.4765 0.025 Uiso 1 1 calc R U . . .
N22 N 0.4503(6) 0.06440(15) 0.4513(4) 0.0153(13) Uani 1 1 d . . . . .
H22A H 0.3531 0.0666 0.4231 0.023 Uiso 1 1 calc R U . . .
H22B H 0.4963 0.0716 0.4040 0.023 Uiso 1 1 calc R U . . .
H22C H 0.4782 0.0848 0.5042 0.023 Uiso 1 1 calc R U . . .
N23 N 0.5959(6) 0.02240(16) 0.6389(4) 0.0152(13) Uani 1 1 d . . . . .
H23A H 0.5342 0.0411 0.6605 0.023 Uiso 1 1 calc R U . . .
H23B H 0.6763 0.0391 0.6388 0.023 Uiso 1 1 calc R U . . .
H23C H 0.6215 -0.0027 0.6812 0.023 Uiso 1 1 calc R U . . .
N31 N 0.6849(6) 0.18320(15) 0.0752(4) 0.0134(12) Uani 1 1 d . . . . .
H31A H 0.6439 0.1772 0.1258 0.020 Uiso 1 1 calc R U . . .
H31B H 0.7817 0.1779 0.0979 0.020 Uiso 1 1 calc R U . . .
H31C H 0.6453 0.1640 0.0216 0.020 Uiso 1 1 calc R U . . .
N32 N 0.6156(6) 0.31489(15) -0.0112(4) 0.0132(12) Uani 1 1 d . . . . .
H32A H 0.5191 0.3197 -0.0377 0.020 Uiso 1 1 calc R U . . .
H32B H 0.6616 0.3212 -0.0590 0.020 Uiso 1 1 calc R U . . .
H32C H 0.6502 0.3343 0.0430 0.020 Uiso 1 1 calc R U . . .
N33 N 0.8361(5) 0.25105(15) 0.0020(4) 0.0117(12) Uani 1 1 d . . . . .
H33A H 0.8836 0.2780 0.0275 0.018 Uiso 1 1 calc R U . . .
H33B H 0.8209 0.2503 -0.0664 0.018 Uiso 1 1 calc R U . . .
H33C H 0.8903 0.2258 0.0305 0.018 Uiso 1 1 calc R U . . .
N34 N 0.7502(6) 0.26679(16) 0.1729(4) 0.0143(13) Uani 1 1 d . . . . .
H34A H 0.6919 0.2857 0.1974 0.021 Uiso 1 1 calc R U . . .
H34B H 0.8330 0.2824 0.1746 0.021 Uiso 1 1 calc R U . . .
H34C H 0.7719 0.2404 0.2118 0.021 Uiso 1 1 calc R U . . .
N35 N 0.4661(6) 0.24903(16) 0.0642(4) 0.0128(12) Uani 1 1 d . . . . .
H35A H 0.4775 0.2622 0.1262 0.019 Uiso 1 1 calc R U . . .
H35B H 0.4341 0.2189 0.0645 0.019 Uiso 1 1 calc R U . . .
H35C H 0.4004 0.2660 0.0165 0.019 Uiso 1 1 calc R U . . .
N36 N 0.5515(6) 0.22886(16) -0.1068(4) 0.0141(13) Uani 1 1 d . . . . .
H36A H 0.4710 0.2121 -0.1071 0.021 Uiso 1 1 calc R U . . .
H36B H 0.6119 0.2105 -0.1305 0.021 Uiso 1 1 calc R U . . .
H36C H 0.5259 0.2546 -0.1472 0.021 Uiso 1 1 calc R U . . .
C11 C 1.0476(7) 0.56802(19) 0.3239(5) 0.0117(11) Uani 1 1 d . . . . .
C12 C 0.9867(7) 0.57362(18) 0.4174(5) 0.0117(11) Uani 1 1 d . . . . .
C13 C 0.5345(7) 0.56813(19) 0.0862(5) 0.0148(15) Uani 1 1 d . . . . .
C14 C 0.4758(7) 0.55818(19) 0.1790(5) 0.0129(15) Uani 1 1 d . . . . .
C21 C 0.1141(8) 0.1813(2) 0.2119(5) 0.0158(16) Uani 1 1 d . . . . .
C22 C 0.1751(8) 0.1803(2) 0.1189(6) 0.0180(16) Uani 1 1 d . . . . .
C23 C 0.6320(7) 0.17786(19) 0.4496(5) 0.0129(15) Uani 1 1 d . . . . .
C24 C 0.6866(7) 0.1905(2) 0.3576(5) 0.0136(15) Uani 1 1 d . . . . .
C31 C 0.7374(7) 0.4484(2) 0.2397(5) 0.0118(14) Uani 1 1 d . . . . .
C32 C 0.7791(7) 0.40563(19) 0.1824(5) 0.0123(14) Uani 1 1 d . . . . .
C33 C 0.3655(7) 0.34422(19) 0.3478(5) 0.0114(10) Uani 1 1 d . . . . .
C34 C 0.4068(7) 0.3014(2) 0.2911(5) 0.0114(10) Uani 1 1 d . . . . .
H41W H 0.808(6) 0.3716(9) 0.433(4) 0.017(18) Uiso 1 1 d D . . . .
H21W H 0.596(9) 0.181(4) 0.634(8) 0.13(5) Uiso 1 1 d D . . . .
H31W H 0.560(6) 0.070(2) 0.905(5) 0.04(2) Uiso 1 1 d D . . . .
H11W H 0.421(9) 0.422(3) 0.085(7) 0.10(4) Uiso 1 1 d D . . . .
H42W H 0.750(16) 0.329(3) 0.463(6) 0.24(8) Uiso 1 1 d D . . . .
H12W H 0.310(8) 0.3802(17) 0.097(6) 0.07(3) Uiso 1 1 d D . . . .
H32W H 0.670(7) 0.0991(12) 0.879(6) 0.05(2) Uiso 1 1 d D . . . .
H22W H 0.504(13) 0.1482(12) 0.677(10) 0.15(5) 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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
O13 Cu1 O14 86.01(19) . . ?
O13 Cu1 O12 169.19(17) . . ?
O14 Cu1 O12 94.13(19) . . ?
O13 Cu1 O11 95.00(19) . . ?
O14 Cu1 O11 176.04(17) . . ?
O12 Cu1 O11 85.61(19) . . ?
O22 Cu2 O23 171.19(17) . . ?
O22 Cu2 O21 86.0(2) . . ?
O23 Cu2 O21 95.61(19) . . ?
O22 Cu2 O24 93.6(2) . . ?
O23 Cu2 O24 85.48(19) . . ?
O21 Cu2 O24 175.36(17) . . ?
O32 Cu3 O33 179.6(2) . . ?
O32 Cu3 O34 95.15(16) . . ?
O33 Cu3 O34 85.14(16) . . ?
O32 Cu3 O31 84.73(17) . . ?
O33 Cu3 O31 94.97(16) . . ?
O34 Cu3 O31 179.8(2) . . ?
N12 Co1 N12 180.0 3 . ?
N12 Co1 N11 87.7(2) 3 3 ?
N12 Co1 N11 92.3(2) . 3 ?
N12 Co1 N11 92.3(2) 3 . ?
N12 Co1 N11 87.7(2) . . ?
N11 Co1 N11 180.0 3 . ?
N12 Co1 N13 91.1(2) 3 . ?
N12 Co1 N13 88.9(2) . . ?
N11 Co1 N13 89.7(2) 3 . ?
N11 Co1 N13 90.3(2) . . ?
N12 Co1 N13 88.9(2) 3 3 ?
N12 Co1 N13 91.1(2) . 3 ?
N11 Co1 N13 90.3(2) 3 3 ?
N11 Co1 N13 89.7(2) . 3 ?
N13 Co1 N13 180.0 . 3 ?
N21 Co2 N21 180.0 . 3_656 ?
N21 Co2 N22 90.9(2) . . ?
N21 Co2 N22 89.1(2) 3_656 . ?
N21 Co2 N22 89.1(2) . 3_656 ?
N21 Co2 N22 90.9(2) 3_656 3_656 ?
N22 Co2 N22 180.0 . 3_656 ?
N21 Co2 N23 91.2(2) . 3_656 ?
N21 Co2 N23 88.8(2) 3_656 3_656 ?
N22 Co2 N23 88.2(2) . 3_656 ?
N22 Co2 N23 91.8(2) 3_656 3_656 ?
N21 Co2 N23 88.8(2) . . ?
N21 Co2 N23 91.2(2) 3_656 . ?
N22 Co2 N23 91.8(2) . . ?
N22 Co2 N23 88.2(2) 3_656 . ?
N23 Co2 N23 180.0(3) 3_656 . ?
N35 Co3 N33 178.25(19) . . ?
N35 Co3 N31 91.3(2) . . ?
N33 Co3 N31 90.2(2) . . ?
N35 Co3 N34 90.3(2) . . ?
N33 Co3 N34 88.9(2) . . ?
N31 Co3 N34 87.6(2) . . ?
N35 Co3 N32 88.9(2) . . ?
N33 Co3 N32 89.6(2) . . ?
N31 Co3 N32 179.5(2) . . ?
N34 Co3 N32 92.9(2) . . ?
N35 Co3 N36 89.8(2) . . ?
N33 Co3 N36 91.1(2) . . ?
N31 Co3 N36 90.4(2) . . ?
N34 Co3 N36 178.02(19) . . ?
N32 Co3 N36 89.1(2) . . ?
C11 O11 Cu1 110.5(4) . . ?
C12 O12 Cu1 112.1(4) . . ?
C13 O13 Cu1 111.6(4) . . ?
C14 O14 Cu1 110.7(4) . . ?
C21 O21 Cu2 110.8(4) . . ?
C22 O22 Cu2 111.3(4) . . ?
C23 O23 Cu2 112.4(4) . . ?
C24 O24 Cu2 111.2(4) . . ?
C31 O31 Cu3 112.7(4) . . ?
C32 O32 Cu3 113.5(4) . . ?
C33 O33 Cu3 113.1(4) . . ?
C34 O34 Cu3 112.5(4) . . ?
O15 C11 O11 125.3(6) . . ?
O15 C11 C12 120.7(6) . . ?
O11 C11 C12 114.0(6) . . ?
O16 C12 O12 125.8(7) . . ?
O16 C12 C11 119.4(6) . . ?
O12 C12 C11 114.8(6) . . ?
O17 C13 O13 125.6(7) . . ?
O17 C13 C14 119.7(6) . . ?
O13 C13 C14 114.7(6) . . ?
O18 C14 O14 125.6(6) . . ?
O18 C14 C13 119.5(6) . . ?
O14 C14 C13 114.8(6) . . ?
O25 C21 O21 126.0(7) . . ?
O25 C21 C22 119.3(6) . . ?
O21 C21 C22 114.7(6) . . ?
O26 C22 O22 124.2(7) . . ?
O26 C22 C21 121.3(7) . . ?
O22 C22 C21 114.5(6) . . ?
O27 C23 O23 125.2(6) . . ?
O27 C23 C24 120.5(6) . . ?
O23 C23 C24 114.3(6) . . ?
O28 C24 O24 125.1(6) . . ?
O28 C24 C23 119.5(6) . . ?
O24 C24 C23 115.5(6) . . ?
O35 C31 O31 126.5(6) . . ?
O35 C31 C32 118.6(6) . . ?
O31 C31 C32 114.9(5) . . ?
O36 C32 O32 125.4(5) . . ?
O36 C32 C31 120.8(5) . . ?
O32 C32 C31 113.9(5) . . ?
O37 C33 O33 125.2(5) . . ?
O37 C33 C34 120.5(5) . . ?
O33 C33 C34 114.3(5) . . ?
O38 C34 O34 125.4(5) . . ?
O38 C34 C33 120.1(6) . . ?
O34 C34 C33 114.5(5) . . ?
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
Cu1 O13 1.925(5) . ?
Cu1 O14 1.931(5) . ?
Cu1 O12 1.935(4) . ?
Cu1 O11 1.941(4) . ?
Cu2 O22 1.916(5) . ?
Cu2 O23 1.925(4) . ?
Cu2 O21 1.934(5) . ?
Cu2 O24 1.945(4) . ?
Cu3 O32 1.931(4) . ?
Cu3 O33 1.935(4) . ?
Cu3 O34 1.945(4) . ?
Cu3 O31 1.953(4) . ?
Co1 N12 1.953(5) 3 ?
Co1 N12 1.953(5) . ?
Co1 N11 1.966(4) 3 ?
Co1 N11 1.966(4) . ?
Co1 N13 1.970(5) . ?
Co1 N13 1.970(5) 3 ?
Co2 N21 1.947(5) . ?
Co2 N21 1.947(5) 3_656 ?
Co2 N22 1.961(4) . ?
Co2 N22 1.961(4) 3_656 ?
Co2 N23 1.977(5) 3_656 ?
Co2 N23 1.978(5) . ?
Co3 N35 1.948(5) . ?
Co3 N33 1.957(5) . ?
Co3 N31 1.959(4) . ?
Co3 N34 1.963(5) . ?
Co3 N32 1.966(4) . ?
Co3 N36 1.971(5) . ?
O11 C11 1.286(8) . ?
O12 C12 1.267(8) . ?
O13 C13 1.265(8) . ?
O14 C14 1.281(8) . ?
O15 C11 1.219(8) . ?
O16 C12 1.232(8) . ?
O17 C13 1.235(8) . ?
O18 C14 1.226(8) . ?
O21 C21 1.278(8) . ?
O22 C22 1.296(8) . ?
O23 C23 1.288(8) . ?
O24 C24 1.273(8) . ?
O25 C21 1.229(8) . ?
O26 C22 1.228(8) . ?
O27 C23 1.236(8) . ?
O28 C24 1.227(7) . ?
O31 C31 1.271(7) . ?
O32 C32 1.279(7) . ?
O33 C33 1.283(7) . ?
O34 C34 1.289(7) . ?
O35 C31 1.237(7) . ?
O36 C32 1.227(7) . ?
O37 C33 1.226(7) . ?
O38 C34 1.236(7) . ?
C11 C12 1.568(9) . ?
C13 C14 1.563(9) . ?
C21 C22 1.552(9) . ?
C23 C24 1.545(9) . ?
C31 C32 1.562(8) . ?
C33 C34 1.558(8) . ?
