#------------------------------------------------------------------------------
#$Date: 2025-08-18 23:06:14 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301780 $
#$URL: svn://www.crystallography.net/cod/cif/1/55/24/1552446.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_1552446
loop_
_publ_author_name
'Mo, Xiyu'
'Chen, Zilu'
'Chu, Bo'
'Liu, Dongcheng'
'Liang, Yuning'
'Liang, Fupei'
_publ_section_title
;
 Structure and Anticancer Activities of Four Cu(II) Complexes Bearing
 Tropolone
;
_journal_name_full               Metallomics
_journal_paper_doi               10.1039/C9MT00165D
_journal_year                    2019
_chemical_formula_moiety         'C34 H26 Cu2 N2 O6'
_chemical_formula_sum            'C34 H26 Cu2 N2 O6'
_chemical_formula_weight         685.65
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-01-27 deposited with the CCDC.    2019-10-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.432(2)
_cell_angle_beta                 95.729(2)
_cell_angle_gamma                102.287(2)
_cell_formula_units_Z            2
_cell_length_a                   8.0152(11)
_cell_length_b                   12.4307(17)
_cell_length_c                   14.712(2)
_cell_measurement_reflns_used    8712
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.51
_cell_measurement_theta_min      2.21
_cell_volume                     1424.5(3)
_computing_cell_refinement       'SAINT v8.27A (Bruker, 2012)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0243
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15435
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.015
_diffrn_reflns_theta_max         25.015
_diffrn_reflns_theta_min         1.392
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.545
_exptl_absorpt_correction_T_max  0.723
_exptl_absorpt_correction_T_min  0.655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_description       block
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.381
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         5028
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0490P)²+0.5140P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0852
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4398
_reflns_number_total             5028
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9mt00165d2.cif
_cod_data_source_block           AAAA_CCDC1
_cod_original_cell_volume        1424.4(3)
_cod_database_code               1552446
_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   0.672
_shelx_estimated_absorpt_t_max   0.737
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.40498(3) 0.07871(2) 0.05494(2) 0.03792(10) Uani 1 1 d . .
Cu2 Cu 0.32201(3) 0.52053(2) 0.44854(2) 0.03782(10) Uani 1 1 d . .
O1 O 0.5311(3) 0.21437(13) 0.00491(11) 0.0515(4) Uani 1 1 d . .
O2 O 0.4676(2) 0.16535(13) 0.16725(11) 0.0471(4) Uani 1 1 d . .
C1 C 0.5879(4) 0.29172(19) 0.06544(16) 0.0490(6) Uani 1 1 d . .
C2 C 0.6878(6) 0.3915(3) 0.0410(2) 0.1024(16) Uani 1 1 d . .
H2 H 0.7123 0.3932 -0.0195 0.123 Uiso 1 1 calc R U
C3 C 0.7564(7) 0.4878(3) 0.0905(3) 0.1149(19) Uani 1 1 d . .
H3 H 0.8208 0.5433 0.0586 0.138 Uiso 1 1 calc R U
C4 C 0.7439(6) 0.5141(2) 0.1799(2) 0.0945(14) Uani 1 1 d . .
H4 H 0.7962 0.5856 0.2002 0.113 Uiso 1 1 calc R U
C5 C 0.6636(5) 0.4474(3) 0.2421(2) 0.0722(9) Uani 1 1 d . .
H5 H 0.6672 0.4801 0.2996 0.087 Uiso 1 1 calc R U
C6 C 0.5774(4) 0.3386(2) 0.23344(18) 0.0537(6) Uani 1 1 d . .
H6 H 0.5341 0.3091 0.2864 0.064 Uiso 1 1 calc R U
C7 C 0.5447(3) 0.26527(19) 0.15760(15) 0.0403(5) Uani 1 1 d . .
C8 C 0.1283(3) -0.09698(18) 0.01422(16) 0.0379(5) Uani 1 1 d . .
C9 C 0.2062(3) -0.07097(18) -0.06761(16) 0.0391(5) Uani 1 1 d . .
O3 O 0.3498(2) 0.00596(12) -0.06396(10) 0.0406(4) Uani 1 1 d . .
C10 C 0.1289(3) -0.1280(2) -0.14729(18) 0.0495(6) Uani 1 1 d . .
H10 H 0.1772 -0.1121 -0.2018 0.059 Uiso 1 1 calc R U
C11 C -0.0223(3) -0.2101(2) -0.14645(19) 0.0549(7) Uani 1 1 d . .
H11 H -0.0717 -0.2477 -0.2007 0.066 Uiso 1 1 calc R U
C12 C -0.0980(3) -0.2357(2) -0.0684(2) 0.0543(7) Uani 1 1 d . .
H12 H -0.1975 -0.2903 -0.0696 0.065 Uiso 1 1 calc R U
C13 C -0.0250(3) -0.17903(19) 0.01412(18) 0.0454(6) Uani 1 1 d . .
C14 C -0.0937(3) -0.1968(2) 0.0987(2) 0.0543(7) Uani 1 1 d . .
H14 H -0.1961 -0.2478 0.1022 0.065 Uiso 1 1 calc R U
C15 C -0.0113(4) -0.1399(2) 0.17474(19) 0.0556(7) Uani 1 1 d . .
H15 H -0.0561 -0.1536 0.2305 0.067 Uiso 1 1 calc R U
C16 C 0.1416(3) -0.06006(19) 0.17071(17) 0.0458(6) Uani 1 1 d . .
N1 N 0.2087(2) -0.03883(14) 0.09182(13) 0.0376(4) Uani 1 1 d . .
C17 C 0.2281(4) 0.0016(2) 0.25620(17) 0.0598(7) Uani 1 1 d . .
H17A H 0.3424 -0.0109 0.2678 0.090 Uiso 1 1 calc R U
H17B H 0.1642 -0.0236 0.3066 0.090 Uiso 1 1 calc R U
H17C H 0.2334 0.0789 0.2491 0.090 Uiso 1 1 calc R U
O4 O 0.1993(2) 0.45684(13) 0.54985(10) 0.0433(4) Uani 1 1 d . .
O5 O 0.1354(2) 0.41990(14) 0.37831(11) 0.0465(4) Uani 1 1 d . .
C18 C 0.0715(3) 0.37786(17) 0.52571(16) 0.0384(5) Uani 1 1 d . .
C19 C -0.0190(3) 0.3192(2) 0.59293(18) 0.0486(6) Uani 1 1 d . .
H19 H 0.0198 0.3446 0.6525 0.058 Uiso 1 1 calc R U
C20 C -0.1565(4) 0.2297(2) 0.5853(2) 0.0551(7) Uani 1 1 d . .
H20 H -0.1921 0.2027 0.6406 0.066 Uiso 1 1 calc R U
C21 C -0.2485(3) 0.1745(2) 0.5088(2) 0.0580(7) Uani 1 1 d . .
H21 H -0.3361 0.1148 0.5187 0.070 Uiso 1 1 calc R U
C22 C -0.2251(3) 0.1979(2) 0.4192(2) 0.0579(7) Uani 1 1 d . .
H22 H -0.3026 0.1533 0.3760 0.070 Uiso 1 1 calc R U
C23 C -0.1027(3) 0.2783(2) 0.38358(19) 0.0503(6) Uani 1 1 d . .
H23 H -0.1125 0.2797 0.3201 0.060 Uiso 1 1 calc R U
C24 C 0.0322(3) 0.35723(18) 0.42696(16) 0.0392(5) Uani 1 1 d . .
O6 O 0.4949(2) 0.61344(12) 0.53140(10) 0.0400(4) Uani 1 1 d . .
C25 C 0.5347(3) 0.71195(17) 0.39610(16) 0.0394(5) Uani 1 1 d . .
C26 C 0.5727(3) 0.70344(17) 0.49191(16) 0.0373(5) Uani 1 1 d . .
C27 C 0.6870(3) 0.78914(18) 0.53906(18) 0.0451(5) Uani 1 1 d . .
H27 H 0.7130 0.7852 0.6018 0.054 Uiso 1 1 calc R U
C28 C 0.7646(3) 0.8826(2) 0.4931(2) 0.0538(7) Uani 1 1 d . .
H28 H 0.8419 0.9392 0.5261 0.065 Uiso 1 1 calc R U
C29 C 0.7293(4) 0.89206(19) 0.4016(2) 0.0552(7) Uani 1 1 d . .
H29 H 0.7824 0.9545 0.3727 0.066 Uiso 1 1 calc R U
C30 C 0.6118(3) 0.80694(19) 0.35033(18) 0.0470(6) Uani 1 1 d . .
C31 C 0.5603(4) 0.8095(2) 0.25561(19) 0.0596(7) Uani 1 1 d . .
H31 H 0.6040 0.8706 0.2224 0.072 Uiso 1 1 calc R U
C32 C 0.4476(4) 0.7230(2) 0.21367(19) 0.0651(8) Uani 1 1 d . .
H32 H 0.4162 0.7248 0.1512 0.078 Uiso 1 1 calc R U
C33 C 0.3760(4) 0.6295(2) 0.26249(17) 0.0558(7) Uani 1 1 d . .
N2 N 0.4193(3) 0.62507(16) 0.35240(13) 0.0418(4) Uani 1 1 d . .
C34 C 0.2536(5) 0.5343(3) 0.2136(2) 0.0863(12) Uani 1 1 d . .
H34A H 0.2831 0.4668 0.2336 0.129 Uiso 1 1 calc R U
H34B H 0.2600 0.5402 0.1490 0.129 Uiso 1 1 calc R U
H34C H 0.1389 0.5349 0.2269 0.129 Uiso 1 1 calc R U
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'
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_3
O2 Cu1 O3 174.07(6) .
O2 Cu1 O1 81.63(7) .
O3 Cu1 O1 92.58(6) .
O2 Cu1 N1 100.38(7) .
O3 Cu1 N1 84.70(7) .
O1 Cu1 N1 161.01(8) .
O2 Cu1 O3 97.21(7) 2_655
O3 Cu1 O3 84.26(6) 2_655
O1 Cu1 O3 92.92(7) 2_655
N1 Cu1 O3 105.46(6) 2_655
O6 Cu2 O5 173.00(7) .
O6 Cu2 O4 91.19(6) .
O5 Cu2 O4 81.81(7) .
O6 Cu2 N2 84.36(7) .
O5 Cu2 N2 102.41(7) .
O4 Cu2 N2 163.00(7) .
C1 O1 Cu1 113.26(15) .
C7 O2 Cu1 114.66(14) .
O1 C1 C2 119.9(2) .
O1 C1 C7 115.3(2) .
C2 C1 C7 124.8(2) .
C3 C2 C1 131.4(3) .
C3 C2 H2 114.3 .
C1 C2 H2 114.3 .
C4 C3 C2 129.6(4) .
C4 C3 H3 115.2 .
C2 C3 H3 115.2 .
C5 C4 C3 127.1(3) .
C5 C4 H4 116.4 .
C3 C4 H4 116.4 .
C4 C5 C6 130.1(3) .
C4 C5 H5 115.0 .
C6 C5 H5 115.0 .
C5 C6 C7 130.4(3) .
C5 C6 H6 114.8 .
C7 C6 H6 114.8 .
O2 C7 C6 119.0(2) .
O2 C7 C1 114.8(2) .
C6 C7 C1 126.1(2) .
N1 C8 C9 116.5(2) .
N1 C8 C13 122.7(2) .
C9 C8 C13 120.8(2) .
O3 C9 C10 123.3(2) .
O3 C9 C8 118.6(2) .
C10 C9 C8 118.2(2) .
C9 O3 Cu1 111.54(14) .
C9 O3 Cu1 110.00(13) 2_655
Cu1 O3 Cu1 95.74(6) 2_655
C9 C10 C11 120.6(3) .
C9 C10 H10 119.7 .
C11 C10 H10 119.7 .
C12 C11 C10 121.7(2) .
C12 C11 H11 119.1 .
C10 C11 H11 119.1 .
C11 C12 C13 119.7(2) .
C11 C12 H12 120.1 .
C13 C12 H12 120.1 .
C12 C13 C14 124.8(2) .
C12 C13 C8 119.0(2) .
C14 C13 C8 116.2(2) .
C15 C14 C13 120.2(2) .
C15 C14 H14 119.9 .
C13 C14 H14 119.9 .
C14 C15 C16 120.9(2) .
C14 C15 H15 119.5 .
C16 C15 H15 119.5 .
N1 C16 C15 120.8(2) .
N1 C16 C17 119.9(2) .
C15 C16 C17 119.3(2) .
C16 N1 C8 119.1(2) .
C16 N1 Cu1 132.70(16) .
C8 N1 Cu1 107.88(14) .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C18 O4 Cu2 113.78(14) .
C24 O5 Cu2 114.33(14) .
O4 C18 C19 119.3(2) .
O4 C18 C24 115.2(2) .
C19 C18 C24 125.4(2) .
C20 C19 C18 130.7(3) .
C20 C19 H19 114.7 .
C18 C19 H19 114.7 .
C21 C20 C19 130.1(3) .
C21 C20 H20 115.0 .
C19 C20 H20 115.0 .
C22 C21 C20 127.1(2) .
C22 C21 H21 116.5 .
C20 C21 H21 116.5 .
C21 C22 C23 129.5(3) .
C21 C22 H22 115.2 .
C23 C22 H22 115.2 .
C22 C23 C24 130.9(3) .
C22 C23 H23 114.6 .
C24 C23 H23 114.6 .
O5 C24 C23 119.2(2) .
O5 C24 C18 114.5(2) .
C23 C24 C18 126.2(2) .
C26 O6 Cu2 112.17(14) .
N2 C25 C30 123.1(2) .
N2 C25 C26 116.30(19) .
C30 C25 C26 120.6(2) .
O6 C26 C27 123.4(2) .
O6 C26 C25 118.07(19) .
C27 C26 C25 118.5(2) .
C26 C27 C28 120.6(2) .
C26 C27 H27 119.7 .
C28 C27 H27 119.7 .
C29 C28 C27 121.6(2) .
C29 C28 H28 119.2 .
C27 C28 H28 119.2 .
C28 C29 C30 119.9(2) .
C28 C29 H29 120.0 .
C30 C29 H29 120.0 .
C29 C30 C31 124.9(2) .
C29 C30 C25 118.7(2) .
C31 C30 C25 116.3(2) .
C32 C31 C30 119.8(2) .
C32 C31 H31 120.1 .
C30 C31 H31 120.1 .
C31 C32 C33 121.6(3) .
C31 C32 H32 119.2 .
C33 C32 H32 119.2 .
N2 C33 C32 120.3(2) .
N2 C33 C34 119.5(2) .
C32 C33 C34 120.2(2) .
C33 N2 C25 118.9(2) .
C33 N2 Cu2 132.29(18) .
C25 N2 Cu2 108.14(14) .
C33 C34 H34A 109.5 .
C33 C34 H34B 109.5 .
H34A C34 H34B 109.5 .
C33 C34 H34C 109.5 .
H34A C34 H34C 109.5 .
H34B C34 H34C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O2 1.9286(16) .
Cu1 O3 1.9299(15) .
Cu1 O1 1.9620(16) .
Cu1 N1 2.0268(18) .
Cu1 O3 2.4123(17) 2_655
Cu2 O6 1.9237(15) .
Cu2 O5 1.9354(16) .
Cu2 O4 1.9479(15) .
Cu2 N2 2.0283(19) .
O1 C1 1.282(3) .
O2 C7 1.280(3) .
C1 C2 1.397(4) .
C1 C7 1.455(3) .
C2 C3 1.376(4) .
C2 H2 0.9300 .
C3 C4 1.372(5) .
C3 H3 0.9300 .
C4 C5 1.357(5) .
C4 H4 0.9300 .
C5 C6 1.380(4) .
C5 H5 0.9300 .
C6 C7 1.403(3) .
C6 H6 0.9300 .
C8 N1 1.372(3) .
C8 C9 1.419(3) .
C8 C13 1.420(3) .
C9 O3 1.327(3) .
C9 C10 1.384(3) .
O3 Cu1 2.4123(17) 2_655
C10 C11 1.410(4) .
C10 H10 0.9300 .
C11 C12 1.360(4) .
C11 H11 0.9300 .
C12 C13 1.408(4) .
C12 H12 0.9300 .
C13 C14 1.410(4) .
C14 C15 1.353(4) .
C14 H14 0.9300 .
C15 C16 1.409(4) .
C15 H15 0.9300 .
C16 N1 1.332(3) .
C16 C17 1.495(4) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
O4 C18 1.278(3) .
O5 C24 1.286(3) .
C18 C19 1.402(3) .
C18 C24 1.464(3) .
C19 C20 1.384(4) .
C19 H19 0.9300 .
C20 C21 1.375(4) .
C20 H20 0.9300 .
C21 C22 1.374(4) .
C21 H21 0.9300 .
C22 C23 1.389(4) .
C22 H22 0.9300 .
C23 C24 1.393(3) .
C23 H23 0.9300 .
O6 C26 1.328(3) .
C25 N2 1.371(3) .
C25 C30 1.419(3) .
C25 C26 1.422(3) .
C26 C27 1.379(3) .
C27 C28 1.408(4) .
C27 H27 0.9300 .
C28 C29 1.359(4) .
C28 H28 0.9300 .
C29 C30 1.413(4) .
C29 H29 0.9300 .
C30 C31 1.416(4) .
C31 C32 1.348(4) .
C31 H31 0.9300 .
C32 C33 1.417(4) .
C32 H32 0.9300 .
C33 N2 1.338(3) .
C33 C34 1.494(4) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C17 H17C O2 0.96 2.40 2.902(3) 112.4 .
C32 H32 O1 0.93 2.47 3.326(3) 152.9 2_665
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_4
Cu1 O1 C1 C2 176.8(3) .
Cu1 O1 C1 C7 -1.5(3) .
O1 C1 C2 C3 176.4(5) .
C7 C1 C2 C3 -5.5(8) .
C1 C2 C3 C4 -0.9(10) .
C2 C3 C4 C5 2.6(10) .
C3 C4 C5 C6 0.8(8) .
C4 C5 C6 C7 -1.2(7) .
Cu1 O2 C7 C6 172.48(18) .
Cu1 O2 C7 C1 -6.5(3) .
C5 C6 C7 O2 176.8(3) .
C5 C6 C7 C1 -4.3(5) .
O1 C1 C7 O2 5.3(3) .
C2 C1 C7 O2 -172.8(3) .
O1 C1 C7 C6 -173.6(2) .
C2 C1 C7 C6 8.3(5) .
N1 C8 C9 O3 0.5(3) .
C13 C8 C9 O3 -179.7(2) .
N1 C8 C9 C10 179.9(2) .
C13 C8 C9 C10 -0.2(3) .
C10 C9 O3 Cu1 173.54(19) .
C8 C9 O3 Cu1 -7.0(2) .
C10 C9 O3 Cu1 -81.5(2) 2_655
C8 C9 O3 Cu1 97.93(19) 2_655
O3 C9 C10 C11 179.0(2) .
C8 C9 C10 C11 -0.4(4) .
C9 C10 C11 C12 0.4(4) .
C10 C11 C12 C13 0.2(4) .
C11 C12 C13 C14 178.6(3) .
C11 C12 C13 C8 -0.8(4) .
N1 C8 C13 C12 -179.3(2) .
C9 C8 C13 C12 0.9(3) .
N1 C8 C13 C14 1.2(3) .
C9 C8 C13 C14 -178.7(2) .
C12 C13 C14 C15 178.3(2) .
C8 C13 C14 C15 -2.2(4) .
C13 C14 C15 C16 1.7(4) .
C14 C15 C16 N1 -0.1(4) .
C14 C15 C16 C17 179.6(3) .
C15 C16 N1 C8 -0.9(3) .
C17 C16 N1 C8 179.4(2) .
C15 C16 N1 Cu1 171.66(18) .
C17 C16 N1 Cu1 -8.0(4) .
C9 C8 N1 C16 -179.8(2) .
C13 C8 N1 C16 0.4(3) .
C9 C8 N1 Cu1 5.9(2) .
C13 C8 N1 Cu1 -173.94(17) .
Cu2 O4 C18 C19 174.87(17) .
Cu2 O4 C18 C24 -5.4(2) .
O4 C18 C19 C20 -177.9(3) .
C24 C18 C19 C20 2.4(4) .
C18 C19 C20 C21 -2.6(5) .
C19 C20 C21 C22 -1.1(5) .
C20 C21 C22 C23 2.4(5) .
C21 C22 C23 C24 0.9(5) .
Cu2 O5 C24 C23 -177.30(17) .
Cu2 O5 C24 C18 2.8(2) .
C22 C23 C24 O5 176.3(3) .
C22 C23 C24 C18 -3.7(4) .
O4 C18 C24 O5 1.8(3) .
C19 C18 C24 O5 -178.5(2) .
O4 C18 C24 C23 -178.1(2) .
C19 C18 C24 C23 1.6(4) .
Cu2 O6 C26 C27 172.22(18) .
Cu2 O6 C26 C25 -7.2(2) .
N2 C25 C26 O6 0.0(3) .
C30 C25 C26 O6 179.0(2) .
N2 C25 C26 C27 -179.5(2) .
C30 C25 C26 C27 -0.5(3) .
O6 C26 C27 C28 -179.7(2) .
C25 C26 C27 C28 -0.3(3) .
C26 C27 C28 C29 0.4(4) .
C27 C28 C29 C30 0.2(4) .
C28 C29 C30 C31 177.5(3) .
C28 C29 C30 C25 -0.9(4) .
N2 C25 C30 C29 -180.0(2) .
C26 C25 C30 C29 1.0(3) .
N2 C25 C30 C31 1.5(3) .
C26 C25 C30 C31 -177.5(2) .
C29 C30 C31 C32 179.7(3) .
C25 C30 C31 C32 -1.9(4) .
C30 C31 C32 C33 1.2(5) .
C31 C32 C33 N2 0.0(5) .
C31 C32 C33 C34 -179.0(3) .
C32 C33 N2 C25 -0.4(4) .
C34 C33 N2 C25 178.6(3) .
C32 C33 N2 Cu2 169.2(2) .
C34 C33 N2 Cu2 -11.8(4) .
C30 C25 N2 C33 -0.3(3) .
C26 C25 N2 C33 178.7(2) .
C30 C25 N2 Cu2 -172.31(18) .
C26 C25 N2 Cu2 6.7(2) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168303259
