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#$Date: 2017-04-05 13:02:21 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195148 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/60/7056008.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_7056008
loop_
_publ_author_name
'Cindrić, Marina'
'Bjelopetrović, Alen'
'Pavlović, Gordana'
'Damjanović, Vladimir'
'Lovrić, Jasna'
'Matković-Čalogović, Dubravka'
'Vrdoljak, Višnja'
_publ_section_title
;
 Copper(ii) complexes with benzhydrazone-related ligands: synthesis,
 structural studies and cytotoxicity assay
;
_journal_issue                   6
_journal_name_full               'New J. Chem.'
_journal_page_first              2425
_journal_paper_doi               10.1039/C6NJ03827A
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C64 H46 Cu4 N8 O18'
_chemical_formula_weight         1469.25
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-12-05 deposited with the CCDC.
2017-02-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 120.069(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.256(2)
_cell_length_b                   11.1490(5)
_cell_length_c                   25.821(2)
_cell_measurement_reflns_used    5679
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.0368
_cell_measurement_theta_min      4.0771
_cell_volume                     6292.2(10)
_computing_cell_refinement
'CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.34.44'
_computing_data_collection
'CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.34.44'
_computing_data_reduction
'CrysAlisPro, Oxford Diffraction Ltd.,Version 1.171.34.44'
_computing_molecular_graphics    'MERCURY 3.7. (CCDC, 2015)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXLS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0815
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17702
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.000
_diffrn_reflns_theta_min         4.085
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.413
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44.
Empirical absorption correction using 
spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_description       prism
_exptl_crystal_F_000             2984
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.560
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         8337
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.1311
_refine_ls_R_factor_gt           0.1015
_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)+(0.0571P)²+121.6043P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2270
_refine_ls_wR_factor_ref         0.2413
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6289
_reflns_number_total             8337
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6nj03827a2.cif
_cod_data_source_block           2a_4MeOH_2H2O
_cod_depositor_comments
'Adding full bibliography for 7056006--7056012.cif.'
_cod_database_code               7056008
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Cu1 Cu 0.06576(4) 0.68632(7) 0.24222(4) 0.0213(2) Uani 1 1 d . .
Cu2 Cu -0.04614(4) 0.49405(7) 0.17302(4) 0.0226(2) Uani 1 1 d . .
N11 N 0.0627(3) 0.8578(5) 0.2306(2) 0.0227(11) Uani 1 1 d . .
N12 N 0.1170(3) 0.9162(5) 0.2706(3) 0.0285(13) Uani 1 1 d . .
N21 N -0.0592(3) 0.3250(6) 0.1707(3) 0.0336(14) Uani 1 1 d . .
N22 N -0.0408(4) 0.2606(6) 0.1360(4) 0.0450(19) Uani 1 1 d . .
O11 O 0.1481(2) 0.7222(4) 0.3036(2) 0.0280(10) Uani 1 1 d . .
O12 O -0.0200(2) 0.6661(4) 0.1828(2) 0.0224(9) Uani 1 1 d . .
O13 O -0.1288(2) 0.5952(4) 0.0982(2) 0.0281(10) Uani 1 1 d . .
O21 O -0.0206(2) 0.4533(4) 0.1162(2) 0.0279(10) Uani 1 1 d . .
O22 O 0.0674(2) 0.5156(4) 0.2638(2) 0.0254(10) Uani 1 1 d . .
O23 O 0.1068(2) 0.5898(4) 0.1926(2) 0.0319(11) Uani 1 1 d . .
C11 C 0.1577(3) 0.8375(6) 0.3061(3) 0.0253(14) Uani 1 1 d . .
C12 C 0.2188(3) 0.8803(7) 0.3531(3) 0.0303(16) Uani 1 1 d . .
C13 C 0.2289(4) 1.0000(8) 0.3713(4) 0.0392(18) Uani 1 1 d . .
H13 H 0.1965 1.0564 0.3523 0.047 Uiso 1 1 calc R U
C14 C 0.2851(4) 1.0373(10) 0.4165(4) 0.051(2) Uani 1 1 d . .
H14 H 0.2912 1.1190 0.4287 0.061 Uiso 1 1 calc R U
C15 C 0.3323(4) 0.9571(10) 0.4441(4) 0.052(3) Uani 1 1 d . .
H15 H 0.3713 0.9827 0.4751 0.063 Uiso 1 1 calc R U
C16 C 0.3224(4) 0.8390(10) 0.4265(4) 0.048(2) Uani 1 1 d . .
H16 H 0.3547 0.7826 0.4461 0.057 Uiso 1 1 calc R U
C17 C 0.2662(3) 0.8011(8) 0.3804(3) 0.0363(17) Uani 1 1 d . .
H17 H 0.2606 0.7198 0.3678 0.044 Uiso 1 1 calc R U
C18 C 0.0180(3) 0.9200(6) 0.1922(3) 0.0251(14) Uani 1 1 d . .
H18 H 0.0233 1.0044 0.1928 0.030 Uiso 1 1 calc R U
C19 C -0.0406(3) 0.8703(6) 0.1475(3) 0.0212(12) Uani 1 1 d . .
C21 C -0.0233(4) 0.3396(6) 0.1089(3) 0.0315(16) Uani 1 1 d . .
C22 C -0.0027(4) 0.2864(7) 0.0685(4) 0.0384(19) Uani 1 1 d . .
C23 C 0.0214(5) 0.1731(9) 0.0767(5) 0.055(3) Uani 1 1 d . .
H23 H 0.0263 0.1267 0.1097 0.065 Uiso 1 1 calc R U
C24 C 0.0387(5) 0.1248(9) 0.0380(5) 0.062(3) Uani 1 1 d . .
H24 H 0.0562 0.0469 0.0447 0.075 Uiso 1 1 calc R U
C25 C 0.0298(5) 0.1935(10) -0.0116(5) 0.062(3) Uani 1 1 d . .
H25 H 0.0394 0.1606 -0.0398 0.074 Uiso 1 1 calc R U
C26 C 0.0075(4) 0.3071(10) -0.0187(4) 0.048(2) Uani 1 1 d . .
H26 H 0.0026 0.3540 -0.0516 0.057 Uiso 1 1 calc R U
C27 C -0.0080(4) 0.3548(8) 0.0212(4) 0.0383(18) Uani 1 1 d . .
H27 H -0.0224 0.4351 0.0163 0.046 Uiso 1 1 calc R U
C28 C -0.0820(4) 0.2621(6) 0.1967(4) 0.0354(17) Uani 1 1 d . .
H28 H -0.0845 0.1777 0.1909 0.043 Uiso 1 1 calc R U
C29 C 0.1043(3) 0.3115(6) 0.2657(3) 0.0300(15) Uani 1 1 d . .
C110 C -0.0570(3) 0.7496(6) 0.1431(3) 0.0208(12) Uani 1 1 d . .
C111 C -0.1153(3) 0.7152(6) 0.0981(3) 0.0248(13) Uani 1 1 d . .
C112 C -0.1558(3) 0.7968(6) 0.0577(3) 0.0288(15) Uani 1 1 d . .
H112 H -0.1948 0.7706 0.0269 0.035 Uiso 1 1 calc R U
C113 C -0.1400(3) 0.9173(7) 0.0617(3) 0.0302(15) Uani 1 1 d . .
H113 H -0.1683 0.9740 0.0343 0.036 Uiso 1 1 calc R U
C114 C -0.0832(3) 0.9535(6) 0.1054(3) 0.0263(14) Uani 1 1 d . .
H114 H -0.0721 1.0355 0.1078 0.032 Uiso 1 1 calc R U
C115 C -0.1915(3) 0.5601(7) 0.0704(4) 0.0359(17) Uani 1 1 d . .
H11A H -0.2134 0.6139 0.0833 0.054 Uiso 1 1 calc R U
H11B H -0.1942 0.4776 0.0821 0.054 Uiso 1 1 calc R U
H11C H -0.2100 0.5645 0.0269 0.054 Uiso 1 1 calc R U
C210 C 0.0958(3) 0.4354(6) 0.2481(3) 0.0213(13) Uani 1 1 d . .
C211 C 0.1187(3) 0.4711(6) 0.2101(3) 0.0291(15) Uani 1 1 d . .
C212 C 0.1490(4) 0.3947(7) 0.1921(4) 0.0388(18) Uani 1 1 d . .
H212 H 0.1653 0.4229 0.1682 0.047 Uiso 1 1 calc R U
C213 C 0.1553(4) 0.2740(8) 0.2097(4) 0.041(2) Uani 1 1 d . .
H213 H 0.1753 0.2198 0.1967 0.049 Uiso 1 1 calc R U
C215 C 0.1385(6) 0.6445(9) 0.1666(6) 0.067(3) Uani 1 1 d . .
H21A H 0.1826 0.6420 0.1950 0.101 Uiso 1 1 calc R U
H21B H 0.1252 0.7281 0.1567 0.101 Uiso 1 1 calc R U
H21C H 0.1296 0.6012 0.1301 0.101 Uiso 1 1 calc R U
C214 C 0.1332(4) 0.2328(7) 0.2453(4) 0.0369(18) Uani 1 1 d . .
O1ME O -0.1723(12) 1.215(2) 0.0306(12) 0.258(10) Uiso 1 1 d . .
O2ME O 0.2754(14) 0.428(3) 0.3462(15) 0.313(14) Uiso 1 1 d . .
C1ME C -0.262(2) 0.309(4) 0.023(2) 0.274(19) Uiso 1 1 d . .
O1W O -0.313(2) 0.381(5) 0.063(2) 0.48(3) Uiso 1 1 d . .
C2ME C 0.196(3) -0.020(6) 0.191(3) 0.37(3) Uiso 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'
Cu Cu 0.3201 1.2651 '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'
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
O11 Cu1 N11 82.2(2) . .
O11 Cu1 O12 173.7(2) . .
N11 Cu1 O12 92.9(2) . .
O11 Cu1 O22 96.1(2) . .
N11 Cu1 O22 172.0(2) . .
O12 Cu1 O22 88.19(19) . .
O11 Cu1 O23 87.3(2) . .
N11 Cu1 O23 111.9(2) . .
O12 Cu1 O23 98.2(2) . .
O22 Cu1 O23 75.72(18) . .
N21 Cu2 O21 82.1(2) . .
N21 Cu2 O22 91.8(2) . 2
O21 Cu2 O22 172.5(2) . 2
N21 Cu2 O12 172.0(2) . .
O21 Cu2 O12 96.2(2) . .
O22 Cu2 O12 89.30(19) 2 .
N21 Cu2 O13 112.8(2) . .
O21 Cu2 O13 89.2(2) . .
O22 Cu2 O13 97.25(19) 2 .
O12 Cu2 O13 74.95(18) . .
C18 N11 N12 118.8(6) . .
C18 N11 Cu1 127.7(5) . .
N12 N11 Cu1 113.5(4) . .
C11 N12 N11 109.9(6) . .
C28 N21 N22 115.7(6) . .
C28 N21 Cu2 129.5(5) . .
N22 N21 Cu2 114.8(5) . .
C21 N22 N21 107.6(6) . .
C11 O11 Cu1 110.1(4) . .
C110 O12 Cu1 126.4(4) . .
C110 O12 Cu2 120.2(4) . .
Cu1 O12 Cu2 112.2(2) . .
C111 O13 C115 118.5(6) . .
C111 O13 Cu2 110.8(4) . .
C115 O13 Cu2 126.6(4) . .
C21 O21 Cu2 109.3(4) . .
C210 O22 Cu2 125.7(4) . 2
C210 O22 Cu1 119.9(4) . .
Cu2 O22 Cu1 112.0(2) 2 .
C211 O23 C215 119.0(6) . .
C211 O23 Cu1 110.7(4) . .
C215 O23 Cu1 126.0(5) . .
O11 C11 N12 124.3(6) . .
O11 C11 C12 116.6(6) . .
N12 C11 C12 119.1(6) . .
C17 C12 C13 118.7(7) . .
C17 C12 C11 119.9(7) . .
C13 C12 C11 121.4(7) . .
C14 C13 C12 120.8(9) . .
C14 C13 H13 119.6 . .
C12 C13 H13 119.6 . .
C15 C14 C13 120.2(9) . .
C15 C14 H14 119.9 . .
C13 C14 H14 119.9 . .
C14 C15 C16 119.2(8) . .
C14 C15 H15 120.4 . .
C16 C15 H15 120.4 . .
C15 C16 C17 121.0(9) . .
C15 C16 H16 119.5 . .
C17 C16 H16 119.5 . .
C12 C17 C16 120.2(9) . .
C12 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
N11 C18 C19 124.3(6) . .
N11 C18 H18 117.8 . .
C19 C18 H18 117.8 . .
C110 C19 C114 119.0(6) . .
C110 C19 C18 125.0(6) . .
C114 C19 C18 116.0(6) . .
O21 C21 N22 126.0(6) . .
O21 C21 C22 118.8(6) . .
N22 C21 C22 115.2(6) . .
C23 C22 C27 118.8(8) . .
C23 C22 C21 122.5(8) . .
C27 C22 C21 118.7(7) . .
C22 C23 C24 121.5(10) . .
C22 C23 H23 119.3 . .
C24 C23 H23 119.3 . .
C23 C24 C25 118.7(10) . .
C23 C24 H24 120.6 . .
C25 C24 H24 120.6 . .
C26 C25 C24 119.7(9) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C25 C26 C27 120.7(9) . .
C25 C26 H26 119.6 . .
C27 C26 H26 119.6 . .
C26 C27 C22 120.4(8) . .
C26 C27 H27 119.8 . .
C22 C27 H27 119.8 . .
N21 C28 C29 124.5(7) . 2
N21 C28 H28 117.8 . .
C29 C28 H28 117.8 2 .
C214 C29 C210 120.4(6) . .
C214 C29 C28 117.6(7) . 2
C210 C29 C28 122.0(6) . 2
O12 C110 C19 122.4(6) . .
O12 C110 C111 118.8(6) . .
C19 C110 C111 118.6(6) . .
C112 C111 O13 123.5(6) . .
C112 C111 C110 121.5(6) . .
O13 C111 C110 115.0(6) . .
C111 C112 C113 120.4(7) . .
C111 C112 H112 119.8 . .
C113 C112 H112 119.8 . .
C114 C113 C112 119.2(7) . .
C114 C113 H113 120.4 . .
C112 C113 H113 120.4 . .
C113 C114 C19 121.2(6) . .
C113 C114 H114 119.4 . .
C19 C114 H114 119.4 . .
O13 C115 H11A 109.5 . .
O13 C115 H11B 109.5 . .
H11A C115 H11B 109.5 . .
O13 C115 H11C 109.5 . .
H11A C115 H11C 109.5 . .
H11B C115 H11C 109.5 . .
O22 C210 C211 119.4(6) . .
O22 C210 C29 124.6(6) . .
C211 C210 C29 116.0(6) . .
C212 C211 O23 123.4(7) . .
C212 C211 C210 123.3(7) . .
O23 C211 C210 113.3(6) . .
C211 C212 C213 118.6(7) . .
C211 C212 H212 120.7 . .
C213 C212 H212 120.7 . .
C214 C213 C212 121.2(7) . .
C214 C213 H213 119.4 . .
C212 C213 H213 119.4 . .
O23 C215 H21A 109.5 . .
O23 C215 H21B 109.5 . .
H21A C215 H21B 109.5 . .
O23 C215 H21C 109.5 . .
H21A C215 H21C 109.5 . .
H21B C215 H21C 109.5 . .
C213 C214 C29 120.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O11 1.922(5) .
Cu1 N11 1.930(5) .
Cu1 O12 1.940(5) .
Cu1 O22 1.979(5) .
Cu1 O23 2.281(5) .
Cu2 N21 1.909(7) .
Cu2 O21 1.931(5) .
Cu2 O22 1.970(4) 2
Cu2 O12 2.004(4) .
Cu2 O13 2.306(5) .
N11 C18 1.271(9) .
N11 N12 1.396(8) .
N12 C11 1.312(9) .
N21 C28 1.290(9) .
N21 N22 1.399(8) .
N22 C21 1.330(10) .
O11 C11 1.304(8) .
O12 C110 1.353(8) .
O13 C111 1.380(8) .
O13 C115 1.428(9) .
O21 C21 1.278(8) .
O22 C210 1.330(8) .
O22 Cu2 1.970(4) 2
O23 C211 1.382(8) .
O23 C215 1.415(9) .
C11 C12 1.485(10) .
C12 C17 1.365(11) .
C12 C13 1.396(12) .
C13 C14 1.375(12) .
C13 H13 0.9500 .
C14 C15 1.370(15) .
C14 H14 0.9500 .
C15 C16 1.375(15) .
C15 H15 0.9500 .
C16 C17 1.384(11) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 C19 1.455(9) .
C18 H18 0.9500 .
C19 C110 1.396(8) .
C19 C114 1.424(9) .
C21 C22 1.502(10) .
C22 C23 1.371(13) .
C22 C27 1.389(12) .
C23 C24 1.385(13) .
C23 H23 0.9500 .
C24 C25 1.410(16) .
C24 H24 0.9500 .
C25 C26 1.361(15) .
C25 H25 0.9500 .
C26 C27 1.380(11) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 C29 1.451(10) 2
C28 H28 0.9500 .
C29 C214 1.402(10) .
C29 C210 1.437(9) .
C29 C28 1.451(10) 2
C110 C111 1.397(9) .
C111 C112 1.376(10) .
C112 C113 1.391(10) .
C112 H112 0.9500 .
C113 C114 1.368(10) .
C113 H113 0.9500 .
C114 H114 0.9500 .
C115 H11A 0.9800 .
C115 H11B 0.9800 .
C115 H11C 0.9800 .
C210 C211 1.424(9) .
C211 C212 1.371(10) .
C212 C213 1.403(11) .
C212 H212 0.9500 .
C213 C214 1.372(11) .
C213 H213 0.9500 .
C215 H21A 0.9800 .
C215 H21B 0.9800 .
C215 H21C 0.9800 .
O1ME C1ME 1.56(4) 7_465
O2ME C2ME 1.57(6) 4
C1ME O1ME 1.56(4) 7_465
C2ME O2ME 1.57(6) 4_545
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_4
C18 N11 N12 C11 -179.3(6) . .
Cu1 N11 N12 C11 1.4(7) . .
C28 N21 N22 C21 175.0(8) . .
Cu2 N21 N22 C21 -5.4(9) . .
Cu1 O11 C11 N12 -1.1(8) . .
Cu1 O11 C11 C12 177.7(5) . .
N11 N12 C11 O11 -0.2(9) . .
N11 N12 C11 C12 -179.0(6) . .
O11 C11 C12 C17 17.0(9) . .
N12 C11 C12 C17 -164.0(7) . .
O11 C11 C12 C13 -161.5(7) . .
N12 C11 C12 C13 17.4(10) . .
C17 C12 C13 C14 -1.1(12) . .
C11 C12 C13 C14 177.5(7) . .
C12 C13 C14 C15 0.4(13) . .
C13 C14 C15 C16 -0.6(14) . .
C14 C15 C16 C17 1.6(13) . .
C13 C12 C17 C16 2.0(11) . .
C11 C12 C17 C16 -176.6(7) . .
C15 C16 C17 C12 -2.3(12) . .
N12 N11 C18 C19 179.1(6) . .
Cu1 N11 C18 C19 -1.7(10) . .
N11 C18 C19 C110 4.3(11) . .
N11 C18 C19 C114 -175.2(6) . .
Cu2 O21 C21 N22 -0.1(11) . .
Cu2 O21 C21 C22 -177.3(6) . .
N21 N22 C21 O21 3.7(12) . .
N21 N22 C21 C22 -179.1(7) . .
O21 C21 C22 C23 150.7(9) . .
N22 C21 C22 C23 -26.7(13) . .
O21 C21 C22 C27 -29.0(12) . .
N22 C21 C22 C27 153.6(8) . .
C27 C22 C23 C24 -1.9(15) . .
C21 C22 C23 C24 178.3(9) . .
C22 C23 C24 C25 -1.4(16) . .
C23 C24 C25 C26 3.2(16) . .
C24 C25 C26 C27 -1.6(15) . .
C25 C26 C27 C22 -1.8(14) . .
C23 C22 C27 C26 3.6(13) . .
C21 C22 C27 C26 -176.7(8) . .
N22 N21 C28 C29 -179.5(8) . 2
Cu2 N21 C28 C29 1.0(13) . 2
Cu1 O12 C110 C19 -12.5(9) . .
Cu2 O12 C110 C19 -179.1(5) . .
Cu1 O12 C110 C111 171.4(4) . .
Cu2 O12 C110 C111 4.8(8) . .
C114 C19 C110 O12 -177.3(6) . .
C18 C19 C110 O12 3.2(10) . .
C114 C19 C110 C111 -1.2(9) . .
C18 C19 C110 C111 179.3(6) . .
C115 O13 C111 C112 -22.2(10) . .
Cu2 O13 C111 C112 178.9(5) . .
C115 O13 C111 C110 157.0(6) . .
Cu2 O13 C111 C110 -1.9(7) . .
O12 C110 C111 C112 177.7(6) . .
C19 C110 C111 C112 1.5(10) . .
O12 C110 C111 O13 -1.5(9) . .
C19 C110 C111 O13 -177.7(6) . .
O13 C111 C112 C113 177.5(7) . .
C110 C111 C112 C113 -1.6(11) . .
C111 C112 C113 C114 1.4(11) . .
C112 C113 C114 C19 -1.1(11) . .
C110 C19 C114 C113 1.0(10) . .
C18 C19 C114 C113 -179.4(6) . .
Cu2 O22 C210 C211 -167.9(5) 2 .
Cu1 O22 C210 C211 -7.0(8) . .
Cu2 O22 C210 C29 13.6(9) 2 .
Cu1 O22 C210 C29 174.4(5) . .
C214 C29 C210 O22 178.0(7) . .
C28 C29 C210 O22 0.0(11) 2 .
C214 C29 C210 C211 -0.6(11) . .
C28 C29 C210 C211 -178.7(7) 2 .
C215 O23 C211 C212 -15.2(12) . .
Cu1 O23 C211 C212 -173.4(7) . .
C215 O23 C211 C210 165.7(8) . .
Cu1 O23 C211 C210 7.5(7) . .
O22 C210 C211 C212 179.5(7) . .
C29 C210 C211 C212 -1.9(11) . .
O22 C210 C211 O23 -1.4(9) . .
C29 C210 C211 O23 177.3(6) . .
O23 C211 C212 C213 -176.2(8) . .
C210 C211 C212 C213 2.9(13) . .
C211 C212 C213 C214 -1.5(14) . .
C212 C213 C214 C29 -0.9(14) . .
C210 C29 C214 C213 2.0(13) . .
C28 C29 C214 C213 -179.9(8) 2 .
