#------------------------------------------------------------------------------
#$Date: 2022-10-12 02:02:55 +0300 (Wed, 12 Oct 2022) $
#$Revision: 278535 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/14/7711460.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_7711460
loop_
_publ_author_name
'Molčanov, Lidija'
'Šenjug, Pavla'
'Barišić, Dario'
'Pajić, Damir'
'Molčanov, Krešimir'
'Jurić, Marijana'
_publ_section_title
;
 Oxalate-based [CuIICrIII] coordination compounds affected by the
 tridentate ligand, simple anion, and reactant ratio: structural and
 magnetic features
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01949C
_journal_year                    2022
_chemical_formula_moiety
'2(C21 H13 Cr Cu N3 O13), 2(C15 H13 Cu N4 O4.50), 12(H2 O)'
_chemical_formula_sum            'C72 H76 Cr2 Cu4 N14 O47'
_chemical_formula_weight         2247.67
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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   mixed
_audit_creation_date             2020-06-02T15:42:27-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2022-09-06 deposited with the CCDC.	2022-10-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.742(13)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.0956(16)
_cell_length_b                   29.969(4)
_cell_length_c                   14.092(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      9.0
_cell_volume                     4639.3(14)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       'non-profiled omega/2theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8352
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_theta_full        24.983
_diffrn_reflns_theta_max         24.983
_diffrn_reflns_theta_min         1.359
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  500
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.231
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            light-blue
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_description       prism
_exptl_crystal_F_000             2292
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.849
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     653
_refine_ls_number_reflns         7951
_refine_ls_number_restraints     209
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1887
_refine_ls_R_factor_gt           0.069
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0840P)²+11.8261P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2098
_reflns_number_gt                3975
_reflns_number_total             7951
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01949c2.cif
_cod_data_source_block           l_p476
_cod_original_cell_volume        4639.2(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7711460
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Cu1 0.61972(11) 0.48307(4) 0.79999(10) 0.0617(4) Uani d 1 . . Cu
Cu2 0.31215(8) 0.24543(3) 0.41479(8) 0.0430(3) Uani d 1 . . Cu
Cr1 -0.08365(11) 0.30342(4) 0.46965(11) 0.0443(4) Uani d 1 . . Cr
O1 -0.1181(6) 0.3767(3) 0.6882(6) 0.089(2) Uani d 1 . . O
O2 -0.0105(6) 0.4262(2) 0.5807(6) 0.084(2) Uani d 1 . . O
O3 -0.1195(5) 0.3188(2) 0.5883(5) 0.0567(16) Uani d 1 . . O
O4 -0.0262(5) 0.3651(2) 0.4855(5) 0.0579(16) Uani d 1 . . O
O5 -0.4337(5) 0.2888(2) 0.2943(5) 0.0724(19) Uani d 1 . . O
O6 -0.2498(5) 0.31804(19) 0.3708(4) 0.0512(15) Uani d 1 . . O
O7 -0.1494(5) 0.24312(19) 0.4537(4) 0.0509(14) Uani d 1 . . O
O8 -0.3177(7) 0.2048(2) 0.3585(6) 0.085(2) Uani d 1 . . O
O9 0.0821(5) 0.28147(19) 0.5626(4) 0.0485(14) Uani d 1 . . O
O10 -0.0235(5) 0.29144(18) 0.3589(4) 0.0459(14) Uani d 1 . . O
O11 0.1411(5) 0.26610(19) 0.3416(4) 0.0469(14) Uani d 1 . . O
O12 0.2449(5) 0.2514(2) 0.5533(4) 0.0541(15) Uani d 1 . . O
O13 0.3483(5) 0.2502(2) 0.2698(4) 0.0616(17) Uani d 1 . . O
H13A 0.327923 0.225859 0.234965 0.092 Uiso d 1 . . H
H13B 0.424992 0.252172 0.288035 0.092 Uiso d 1 . . H
O14 0.7726(7) 0.4532(3) 0.8794(9) 0.141(4) Uani d 1 . . O
H14A 0.839971 0.47169 0.902644 0.211 Uiso d 1 . . H
H14B 0.793871 0.4335 0.84029 0.211 Uiso d 1 . . H
O15 0.8468(10) 0.3699(3) 0.8729(9) 0.118(3) Uani d 1 . . O
H15A 0.893707 0.347495 0.89592 0.177 Uiso d 1 . . H
H15B 0.843512 0.374314 0.812193 0.177 Uiso d 1 . . H
O16 0.9215(11) 0.1117(4) 0.6935(10) 0.162(4) Uani d 1 . . O
H16A 0.928(4) 0.0919(10) 0.643(3) 0.244 Uiso d 1 . . H
H16B 1.001(6) 0.114(7) 0.748(9) 0.244 Uiso d 1 . . H
O17 0.0919(15) 0.4140(5) 0.3769(13) 0.185(5) Uani d 1 . . O
H17A 0.049573 0.416802 0.411833 0.277 Uiso d 1 . . H
H17B 0.114433 0.43963 0.365941 0.277 Uiso d 1 . . H
O18 0.0001(7) 0.1881(2) 0.6309(5) 0.087(2) Uani d 1 . . O
H18A -0.04783 0.208542 0.57795 0.13 Uiso d 1 . . H
H18B 0.045345 0.203135 0.695147 0.13 Uiso d 1 . . H
O19 0.617(2) 0.4635(8) 1.0824(16) 0.161(8) Uiso d 0.5 . . O
O20 0.673(3) 0.4661(11) 0.968(3) 0.260(16) Uiso d 0.5 . . O
O21 0.8554(14) 0.0327(5) 0.6044(9) 0.374(17) Uani d 1 . . O
H21A 0.900651 0.022612 0.677778 0.561 Uiso d 1 . . H
H21B 0.776266 0.043566 0.600144 0.561 Uiso d 1 . . H
O22 0.9138(12) 0.4857(4) 0.7009(15) 0.378(17) Uani d 1 . . O
H22A 0.831153 0.495696 0.658854 0.567 Uiso d 1 . . H
H22B 0.970365 0.490502 0.670162 0.567 Uiso d 1 . . H
O23 0.514(2) 0.5039(7) 0.9611(15) 0.148(8) Uiso d 0.5 . . O
O24 0.641(3) 0.5074(11) 0.510(2) 0.223(12) Uani d 0.5 . . O
O25 0.484(2) 0.4954(8) 0.5420(16) 0.158(8) Uani d 0.5 . . O
O26 0.6653(11) 0.4799(3) 0.6568(9) 0.141(4) Uani d 1 . . O
N1 0.6851(9) 0.5463(3) 0.8289(5) 0.079(2) Uani d 1 . . N
N2 0.4695(8) 0.5155(2) 0.7414(4) 0.063(2) Uani d 1 . . N
N3 0.5024(6) 0.4308(2) 0.7544(5) 0.0495(17) Uani d 1 . . N
N4 0.3971(6) 0.3055(2) 0.4600(5) 0.0472(17) Uani d 1 . . N
N5 0.4752(6) 0.2246(2) 0.5011(5) 0.0456(17) Uani d 1 . . N
N6 0.2831(6) 0.1786(2) 0.4047(5) 0.0446(17) Uani d 1 . . N
N7 0.5947(17) 0.4804(6) 0.9889(14) 0.095(6) Uiso d 0.5 . . N
N8 0.594(2) 0.4948(7) 0.5689(17) 0.142(8) Uani d 0.5 . . N
C1 0.8024(13) 0.5586(4) 0.8779(9) 0.101(4) Uani d 1 . . C
H1 0.861654 0.536481 0.90308 0.121 Uiso calc 1 . . H
C2 0.8387(15) 0.6032(5) 0.8925(10) 0.114(4) Uani d 1 . . C
H2 0.920203 0.611331 0.926551 0.137 Uiso calc 1 . . H
C3 0.7461(18) 0.6350(5) 0.8532(10) 0.115(4) Uani d 1 . . C
H3 0.766894 0.665098 0.861423 0.138 Uiso calc 1 . . H
C4 0.6267(15) 0.6236(4) 0.8033(9) 0.100(4) Uani d 1 . . C
H4 0.565964 0.645101 0.777055 0.12 Uiso calc 1 . . H
C5 0.5990(13) 0.5773(4) 0.7930(8) 0.081(3) Uani d 1 . . C
C6 0.4732(11) 0.5601(3) 0.7425(8) 0.080(3) Uani d 1 . . C
C7 0.3659(13) 0.5826(4) 0.7023(9) 0.115(4) Uani d 1 . . C
H7 0.366701 0.613619 0.70413 0.138 Uiso calc 1 . . H
C8 0.2579(14) 0.5609(5) 0.6597(10) 0.125(5) Uani d 1 . . C
H8 0.185119 0.576741 0.631768 0.15 Uiso calc 1 . . H
C9 0.2579(11) 0.5154(4) 0.6586(8) 0.107(4) Uani d 1 . . C
H9 0.184459 0.499984 0.630311 0.129 Uiso calc 1 . . H
C10 0.3639(9) 0.4924(3) 0.6984(7) 0.063(2) Uani d 1 . . C
C11 0.3835(8) 0.4437(3) 0.7053(6) 0.054(2) Uani d 1 . . C
C12 0.2912(9) 0.4120(4) 0.6658(7) 0.068(3) Uani d 1 . . C
H12 0.210245 0.420492 0.630408 0.081 Uiso calc 1 . . H
C13 0.3240(10) 0.3669(4) 0.6807(7) 0.072(3) Uani d 1 . . C
H13 0.263604 0.345222 0.654383 0.086 Uiso calc 1 . . H
C14 0.4414(9) 0.3540(3) 0.7326(8) 0.066(3) Uani d 1 . . C
H14 0.462772 0.323946 0.742714 0.08 Uiso calc 1 . . H
C15 0.5290(8) 0.3875(3) 0.7703(7) 0.057(2) Uani d 1 . . C
H15 0.609802 0.379298 0.80844 0.068 Uiso calc 1 . . H
C16 0.3492(9) 0.3451(3) 0.4335(7) 0.061(3) Uani d 1 . . C
H16 0.266444 0.347795 0.391219 0.074 Uiso calc 1 . . H
C17 0.4202(12) 0.3837(4) 0.4676(10) 0.086(4) Uani d 1 . . C
H17 0.38477 0.41169 0.447673 0.103 Uiso calc 1 . . H
C18 0.5411(13) 0.3802(5) 0.5300(10) 0.093(4) Uani d 1 . . C
H18 0.588778 0.405681 0.552937 0.112 Uiso calc 1 . . H
C19 0.5928(10) 0.3384(4) 0.5592(8) 0.071(3) Uani d 1 . . C
H19 0.675332 0.335472 0.60233 0.085 Uiso calc 1 . . H
C20 0.5200(8) 0.3010(3) 0.5233(7) 0.056(3) Uani d 1 . . C
C21 0.5625(7) 0.2548(3) 0.5470(6) 0.047(2) Uani d 1 . . C
C22 0.6797(8) 0.2414(4) 0.6079(7) 0.065(3) Uani d 1 . . C
H22 0.741405 0.262157 0.63954 0.079 Uiso calc 1 . . H
C23 0.7029(9) 0.1964(5) 0.6207(8) 0.081(4) Uani d 1 . . C
H23 0.781646 0.186701 0.662019 0.098 Uiso calc 1 . . H
C24 0.6121(9) 0.1650(4) 0.5736(7) 0.065(3) Uani d 1 . . C
H24 0.627927 0.134544 0.58265 0.078 Uiso calc 1 . . H
C25 0.4955(8) 0.1813(3) 0.5119(7) 0.054(2) Uani d 1 . . C
C26 0.3838(8) 0.1543(3) 0.4563(7) 0.049(2) Uani d 1 . . C
C27 0.3807(10) 0.1077(3) 0.4578(8) 0.069(3) Uani d 1 . . C
H27 0.451169 0.091383 0.494428 0.083 Uiso calc 1 . . H
C28 0.2705(11) 0.0865(4) 0.4037(8) 0.078(3) Uani d 1 . . C
H28 0.266963 0.055499 0.401793 0.093 Uiso calc 1 . . H
C29 0.1662(10) 0.1111(3) 0.3525(8) 0.071(3) Uani d 1 . . C
H29 0.090959 0.097305 0.317838 0.086 Uiso calc 1 . . H
C30 0.1774(9) 0.1570(3) 0.3546(7) 0.058(2) Uani d 1 . . C
H30 0.107619 0.173886 0.319195 0.07 Uiso calc 1 . . H
C31 0.1435(7) 0.2685(3) 0.5131(6) 0.0409(19) Uani d 1 . . C
C32 0.0826(7) 0.2756(3) 0.3950(6) 0.0400(19) Uani d 1 . . C
C33 -0.0406(8) 0.3875(3) 0.5573(8) 0.062(3) Uani d 1 . . C
C34 -0.0969(8) 0.3594(4) 0.6185(7) 0.062(3) Uani d 1 . . C
C35 -0.3252(8) 0.2856(3) 0.3462(7) 0.050(2) Uani d 1 . . C
C36 -0.2638(8) 0.2394(3) 0.3875(7) 0.055(2) Uani d 1 . . C
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0039 0.0018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0072 0.0035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0127 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1581 0.1735 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3376 0.6649 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3275 1.3856 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
2 0 -2
0 -2 -4
1 -4 -2
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
N2 Cu1 O14 171.4(4) . . ?
N2 Cu1 N1 80.4(4) . . ?
O14 Cu1 N1 96.8(4) . . ?
N2 Cu1 N3 81.0(3) . . ?
O14 Cu1 N3 101.5(3) . . ?
N1 Cu1 N3 161.3(4) . . ?
N2 Cu1 O20 111.9(7) . . ?
O14 Cu1 O20 60.1(7) . . ?
N1 Cu1 O20 94.8(9) . . ?
N3 Cu1 O20 90.8(9) . . ?
N2 Cu1 O26 100.0(3) . . ?
O14 Cu1 O26 88.1(5) . . ?
N1 Cu1 O26 89.9(3) . . ?
N3 Cu1 O26 94.7(3) . . ?
O20 Cu1 O26 148.1(7) . . ?
N5 Cu2 O11 173.1(3) . . ?
N5 Cu2 N6 80.1(3) . . ?
O11 Cu2 N6 99.2(3) . . ?
N5 Cu2 N4 80.8(3) . . ?
O11 Cu2 N4 99.6(3) . . ?
N6 Cu2 N4 160.7(3) . . ?
N5 Cu2 O13 93.2(2) . . ?
O11 Cu2 O13 93.7(2) . . ?
N6 Cu2 O13 95.2(2) . . ?
N4 Cu2 O13 88.0(2) . . ?
N5 Cu2 O12 96.6(2) . . ?
O11 Cu2 O12 76.5(2) . . ?
N6 Cu2 O12 91.3(2) . . ?
N4 Cu2 O12 88.8(2) . . ?
O13 Cu2 O12 169.0(2) . . ?
O3 Cr1 O7 95.2(3) . . ?
O3 Cr1 O4 82.8(3) . . ?
O7 Cr1 O4 176.8(2) . . ?
O3 Cr1 O6 91.5(2) . . ?
O7 Cr1 O6 83.0(2) . . ?
O4 Cr1 O6 94.6(3) . . ?
O3 Cr1 O9 92.2(2) . . ?
O7 Cr1 O9 91.1(2) . . ?
O4 Cr1 O9 91.5(2) . . ?
O6 Cr1 O9 173.3(3) . . ?
O3 Cr1 O10 171.9(2) . . ?
O7 Cr1 O10 90.4(2) . . ?
O4 Cr1 O10 91.8(3) . . ?
O6 Cr1 O10 94.9(2) . . ?
O9 Cr1 O10 82.0(2) . . ?
C34 O3 Cr1 114.6(6) . . ?
C33 O4 Cr1 115.2(6) . . ?
C35 O6 Cr1 115.2(5) . . ?
C36 O7 Cr1 114.7(6) . . ?
C31 O9 Cr1 113.4(5) . . ?
C32 O10 Cr1 113.1(5) . . ?
C32 O11 Cu2 118.9(5) . . ?
C31 O12 Cu2 105.5(5) . . ?
N7 O19 O23 70.1(14) . 3_667 ?
N7 O20 Cu1 106(2) . . ?
N7 O23 O23 95(2) . 3_667 ?
N7 O23 O19 176(2) . 3_667 ?
O23 O23 O19 83.2(19) 3_667 3_667 ?
N7 O23 N7 133.9(17) . 3_667 ?
O23 O23 N7 39.1(12) 3_667 3_667 ?
O19 O23 N7 44.2(9) 3_667 3_667 ?
N8 O24 O25 68.5(17) . 3_666 ?
N8 O25 O24 166(2) . 3_666 ?
N8 O25 O25 67.3(19) . 3_666 ?
O24 O25 O25 101(2) 3_666 3_666 ?
N8 O25 N8 117(2) . 3_666 ?
O24 O25 N8 51.5(13) 3_666 3_666 ?
O25 O25 N8 49.9(12) 3_666 3_666 ?
N8 O26 Cu1 121.9(13) . . ?
C5 N1 C1 119.6(10) . . ?
C5 N1 Cu1 113.6(8) . . ?
C1 N1 Cu1 126.8(9) . . ?
C6 N2 C10 122.5(9) . . ?
C6 N2 Cu1 118.8(8) . . ?
C10 N2 Cu1 118.8(6) . . ?
C15 N3 C11 119.2(8) . . ?
C15 N3 Cu1 127.6(6) . . ?
C11 N3 Cu1 113.1(6) . . ?
C16 N4 C20 120.0(8) . . ?
C16 N4 Cu2 127.5(6) . . ?
C20 N4 Cu2 112.4(6) . . ?
C25 N5 C21 122.7(8) . . ?
C25 N5 Cu2 118.7(6) . . ?
C21 N5 Cu2 118.6(6) . . ?
C30 N6 C26 118.1(8) . . ?
C30 N6 Cu2 127.8(6) . . ?
C26 N6 Cu2 114.1(6) . . ?
O23 N7 O20 143(3) . . ?
O23 N7 O19 112(2) . . ?
O20 N7 O19 105(2) . . ?
O23 N7 O23 46.1(17) . 3_667 ?
O20 N7 O23 171(2) . 3_667 ?
O19 N7 O23 65.7(13) . 3_667 ?
O25 N8 O24 122(3) . . ?
O25 N8 O26 121(2) . . ?
O24 N8 O26 116(2) . . ?
O25 N8 O25 63(2) . 3_666 ?
O24 N8 O25 60.1(18) . 3_666 ?
O26 N8 O25 169(2) . 3_666 ?
N1 C1 C2 122.5(14) . . ?
C3 C2 C1 116.4(14) . . ?
C4 C3 C2 122.4(14) . . ?
C3 C4 C5 116.9(14) . . ?
N1 C5 C4 122.1(13) . . ?
N1 C5 C6 115.1(10) . . ?
C4 C5 C6 122.8(13) . . ?
N2 C6 C7 118.1(12) . . ?
N2 C6 C5 112.1(10) . . ?
C7 C6 C5 129.7(12) . . ?
C8 C7 C6 121.5(13) . . ?
C7 C8 C9 118.7(13) . . ?
C10 C9 C8 120.6(13) . . ?
N2 C10 C9 118.6(10) . . ?
N2 C10 C11 112.4(8) . . ?
C9 C10 C11 128.9(11) . . ?
N3 C11 C12 120.6(9) . . ?
N3 C11 C10 114.7(8) . . ?
C12 C11 C10 124.7(9) . . ?
C11 C12 C13 118.0(9) . . ?
C14 C13 C12 121.6(10) . . ?
C13 C14 C15 117.2(10) . . ?
N3 C15 C14 123.1(9) . . ?
N4 C16 C17 121.3(10) . . ?
C18 C17 C16 119.8(12) . . ?
C17 C18 C19 119.6(11) . . ?
C18 C19 C20 119.0(11) . . ?
N4 C20 C19 120.4(10) . . ?
N4 C20 C21 114.7(7) . . ?
C19 C20 C21 124.9(9) . . ?
N5 C21 C22 120.3(9) . . ?
N5 C21 C20 113.5(7) . . ?
C22 C21 C20 126.2(9) . . ?
C23 C22 C21 118.0(10) . . ?
C22 C23 C24 121.7(9) . . ?
C23 C24 C25 116.9(10) . . ?
N5 C25 C24 120.4(9) . . ?
N5 C25 C26 113.1(7) . . ?
C24 C25 C26 126.5(9) . . ?
N6 C26 C27 121.8(9) . . ?
N6 C26 C25 114.0(8) . . ?
C27 C26 C25 124.1(9) . . ?
C28 C27 C26 118.5(10) . . ?
C29 C28 C27 120.2(10) . . ?
C28 C29 C30 117.5(10) . . ?
N6 C30 C29 123.8(9) . . ?
O12 C31 O9 125.0(7) . . ?
O12 C31 C32 119.6(7) . . ?
O9 C31 C32 115.4(7) . . ?
O10 C32 O11 125.2(7) . . ?
O10 C32 C31 116.0(7) . . ?
O11 C32 C31 118.9(7) . . ?
O2 C33 O4 125.9(10) . . ?
O2 C33 C34 121.1(10) . . ?
O4 C33 C34 112.9(9) . . ?
O1 C34 O3 125.5(10) . . ?
O1 C34 C33 120.1(10) . . ?
O3 C34 C33 114.4(8) . . ?
O5 C35 O6 124.9(9) . . ?
O5 C35 C36 121.5(9) . . ?
O6 C35 C36 113.5(7) . . ?
O8 C36 O7 125.2(9) . . ?
O8 C36 C35 122.1(9) . . ?
O7 C36 C35 112.7(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 N2 . 1.916(8) ?
Cu1 O14 . 1.934(8) ?
Cu1 N1 . 2.027(8) ?
Cu1 N3 . 2.028(7) ?
Cu1 O20 . 2.24(3) ?
Cu1 O26 . 2.305(10) ?
Cu2 N5 . 1.936(7) ?
Cu2 O11 . 1.986(5) ?
Cu2 N6 . 2.028(7) ?
Cu2 N4 . 2.037(7) ?
Cu2 O13 . 2.266(6) ?
Cu2 O12 . 2.415(5) ?
Cr1 O3 . 1.950(6) ?
Cr1 O7 . 1.949(6) ?
Cr1 O4 . 1.955(6) ?
Cr1 O6 . 1.957(5) ?
Cr1 O9 . 1.992(5) ?
Cr1 O10 . 2.010(5) ?
O1 C34 . 1.229(11) ?
O2 C33 . 1.219(11) ?
O3 C34 . 1.281(11) ?
O4 C33 . 1.285(11) ?
O5 C35 . 1.209(10) ?
O6 C35 . 1.278(10) ?
O7 C36 . 1.310(10) ?
O8 C36 . 1.202(10) ?
O9 C31 . 1.274(9) ?
O10 C32 . 1.259(8) ?
O11 C32 . 1.262(9) ?
O12 C31 . 1.227(9) ?
O19 N7 . 1.330(16) ?
O19 O23 3_667 1.74(3) ?
O20 N7 . 1.183(17) ?
O23 N7 . 1.134(16) ?
O23 O23 3_667 1.30(4) ?
O23 N7 3_667 1.79(3) ?
O24 N8 . 1.240(17) ?
O24 O25 3_666 1.37(4) ?
O25 N8 . 1.223(17) ?
O25 O25 3_666 1.42(4) ?
O25 N8 3_666 1.48(3) ?
O26 N8 . 1.260(17) ?
N1 C5 . 1.328(14) ?
N1 C1 . 1.344(14) ?
N2 C6 . 1.338(12) ?
N2 C10 . 1.353(12) ?
N3 C15 . 1.334(10) ?
N3 C11 . 1.365(10) ?
N4 C16 . 1.307(11) ?
N4 C20 . 1.383(11) ?
N5 C25 . 1.319(11) ?
N5 C21 . 1.334(10) ?
N6 C30 . 1.341(10) ?
N6 C26 . 1.342(10) ?
C1 C2 . 1.397(15) ?
C2 C3 . 1.40(2) ?
C3 C4 . 1.359(19) ?
C4 C5 . 1.420(15) ?
C5 C6 . 1.478(16) ?
C6 C7 . 1.357(13) ?
C7 C8 . 1.354(14) ?
C8 C9 . 1.365(14) ?
C9 C10 . 1.353(12) ?
C10 C11 . 1.476(13) ?
C11 C12 . 1.392(13) ?
C12 C13 . 1.399(14) ?
C13 C14 . 1.353(14) ?
C14 C15 . 1.395(12) ?
C16 C17 . 1.400(14) ?
C17 C18 . 1.359(16) ?
C18 C19 . 1.383(16) ?
C19 C20 . 1.384(12) ?
C20 C21 . 1.466(13) ?
C21 C22 . 1.374(12) ?
C22 C23 . 1.375(15) ?
C23 C24 . 1.386(15) ?
C24 C25 . 1.400(12) ?
C25 C26 . 1.486(12) ?
C26 C27 . 1.395(12) ?
C27 C28 . 1.383(14) ?
C28 C29 . 1.376(14) ?
C29 C30 . 1.382(12) ?
C31 C32 . 1.527(11) ?
C33 C34 . 1.553(14) ?
C35 C36 . 1.562(13) ?
