# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_rpa009
_database_code_depnum_ccdc_archive 'CCDC 2301686'
loop_
_audit_author_name
_audit_author_address
'Natalia Kuratieva'
;Nikolaev Institute of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2023-10-17 deposited with the CCDC.	2023-12-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C12 H4 Cu3 O26, 2(Co H18 N6), 2(H2 O)'
_chemical_formula_sum            'C12 H44 Co2 Cu3 N12 O28'
_chemical_melting_point          ?

_exptl_crystal_description       plate
_exptl_crystal_colour            green
_diffrn_ambient_temperature      150(2)
_chemical_formula_weight         1113.07

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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'

_cell_length_a                   9.6581(7)
_cell_length_b                   28.4118(14)
_cell_length_c                   13.7644(10)
_cell_angle_alpha                90
_cell_angle_beta                 106.496(2)
_cell_angle_gamma                90
_cell_volume                     3621.5(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2050
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      25.29
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_F_000             2260
_exptl_transmission_factor_min   0.651
_exptl_transmission_factor_max   0.745
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    2.747
_shelx_estimated_absorpt_T_min   0.513
_shelx_estimated_absorpt_T_max   0.898


_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?


_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method       'φ scans'
_diffrn_detector_area_resol_mean 25
_diffrn_reflns_number            24701
_diffrn_reflns_av_unetI/netI     0.1060
_diffrn_reflns_av_R_equivalents  0.0968
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.701
_diffrn_reflns_theta_max         26.421
_diffrn_reflns_theta_full        25.250
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7404
_reflns_number_gt                4189
_reflns_threshold_expression     >2σ(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0412P)²] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.00062(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7404
_refine_ls_number_parameters     550
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.1204
_refine_ls_R_factor_gt           0.0587
_refine_ls_wR_factor_ref         0.1274
_refine_ls_wR_factor_gt          0.1084
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_restrained_S_all      0.971
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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) . ?

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) . . ?

_refine_diff_density_max         0.953
_refine_diff_density_min         -0.773
_refine_diff_density_rms         0.154



_symmetry_space_group_name_Hall  ?
_diffrn_radiation_monochromator  graphite
_diffrn_standards_number         0
_diffrn_standards_decay_%        0
_symmetry_cell_setting           ?
_symmetry_space_group_name_h-m   ?
_symmetry_int_tables_number      ?
_chemical_absolute_configuration ?

