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#$Date: 2025-08-21 12:25:49 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301846 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/87/7008775.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_7008775
loop_
_publ_author_name
'Glaser, Thorsten'
'Liratzis, Ioannis'
'Fröhlich, Roland'
_publ_section_title
;
 A 1,8-naphthalenediol-based unsymmetrical dinucleating ligand.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2892
_journal_page_last               2898
_journal_paper_doi               10.1039/b507579c
_journal_year                    2005
_chemical_formula_sum            'C25 H18 Cu2 N2 O4'
_chemical_formula_weight         537.49
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.89(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.612(1)
_cell_length_b                   18.755(1)
_cell_length_c                   12.243(1)
_cell_measurement_temperature    198(2)
_cell_volume                     1963.2(3)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinwoski & Minor, 1997)'
_computing_molecular_graphics    'XP (BrukerAXS, 2000)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode Nonius FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16711
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    2.206
_exptl_absorpt_correction_T_max  0.7332
_exptl_absorpt_correction_T_min  0.5123
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.329
_refine_diff_density_min         -0.828
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4773
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0382P)²+1.6761P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0894
_reflns_number_gt                3698
_reflns_number_total             4773
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b507579c.txt
_cod_data_source_block           han2555
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7008775
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.15056(4) -0.051047(18) -0.15126(3) 0.03872(11) Uani 1 1 d . . .
Cu2 Cu 0.16976(3) 0.051100(15) 0.03976(2) 0.02551(9) Uani 1 1 d . . .
O1 O 0.0515(2) 0.03708(9) -0.10410(13) 0.0319(4) Uani 1 1 d . . .
O2 O 0.03632(19) 0.12528(9) 0.07239(13) 0.0301(4) Uani 1 1 d . . .
O3 O 0.2722(2) -0.03181(9) -0.00785(14) 0.0320(4) Uani 1 1 d . . .
O4 O 0.2901(2) 0.05649(9) 0.17552(14) 0.0318(4) Uani 1 1 d . . .
N1 N 0.0199(3) -0.04730(16) -0.2927(2) 0.0526(7) Uani 1 1 d . . .
N2 N 0.2839(3) -0.12985(15) -0.1802(2) 0.0570(8) Uani 1 1 d . . .
C1 C -0.0810(3) 0.07379(18) -0.2742(2) 0.0454(7) Uani 1 1 d . . .
C2 C -0.0282(3) 0.08766(15) -0.16392(19) 0.0339(6) Uani 1 1 d . A .
C3 C -0.0591(3) 0.15532(15) -0.1166(2) 0.0333(6) Uani 1 1 d . . .
C4 C -0.0209(3) 0.17217(13) -0.0026(2) 0.0306(5) Uani 1 1 d . A .
C5 C -0.0476(3) 0.24114(15) 0.0326(2) 0.0405(6) Uani 1 1 d . . .
H5 H -0.0205 0.2529 0.1080 0.049 Uiso 1 1 calc R A .
C6 C -0.1126(4) 0.29313(17) -0.0394(3) 0.0519(8) Uani 1 1 d . A .
H6 H -0.1268 0.3400 -0.0131 0.062 Uiso 1 1 calc R . .
C7 C -0.1562(3) 0.27773(18) -0.1473(3) 0.0530(8) Uani 1 1 d . . .
H7 H -0.2023 0.3137 -0.1953 0.064 Uiso 1 1 calc R A .
C8 C -0.1336(3) 0.20936(17) -0.1879(2) 0.0435(7) Uani 1 1 d . A .
C9 C -0.1850(3) 0.1932(2) -0.2986(3) 0.0570(9) Uani 1 1 d . . .
H9 H -0.2351 0.2289 -0.3453 0.068 Uiso 1 1 calc R A .
C10 C -0.1639(4) 0.1280(2) -0.3388(2) 0.0615(10) Uani 1 1 d . A .
H10 H -0.2054 0.1176 -0.4124 0.074 Uiso 1 1 calc R . .
C11 C -0.0614(4) 0.0070(2) -0.3266(2) 0.0563(10) Uani 1 1 d . A .
H11 H -0.1177 0.0022 -0.3979 0.068 Uiso 1 1 calc R . .
C12A C -0.0160(15) -0.0963(6) -0.3812(9) 0.041(2) Uani 0.407(9) 1 d P A 1
H12A H 0.0287 -0.0802 -0.4478 0.049 Uiso 0.407(9) 1 calc PR A 1
H12B H -0.1304 -0.1022 -0.3992 0.049 Uiso 0.407(9) 1 calc PR A 1
C13A C 0.0583(9) -0.1639(5) -0.3382(6) 0.041(2) Uani 0.407(9) 1 d P A 1
H13A H 0.0383 -0.2012 -0.3954 0.050 Uiso 0.407(9) 1 calc PR A 1
H13B H 0.0078 -0.1793 -0.2736 0.050 Uiso 0.407(9) 1 calc PR A 1
C14A C 0.2320(11) -0.1588(6) -0.3049(9) 0.044(3) Uani 0.407(9) 1 d P A 1
H14A H 0.2769 -0.1266 -0.3570 0.053 Uiso 0.407(9) 1 calc PR A 1
H14B H 0.2785 -0.2066 -0.3121 0.053 Uiso 0.407(9) 1 calc PR A 1
C12B C 0.0260(10) -0.1191(5) -0.3545(7) 0.047(2) Uani 0.593(9) 1 d P A 2
H12C H -0.0328 -0.1549 -0.3165 0.056 Uiso 0.593(9) 1 calc PR A 2
H12D H -0.0296 -0.1129 -0.4295 0.056 Uiso 0.593(9) 1 calc PR A 2
C13B C 0.1852(8) -0.1489(3) -0.3648(5) 0.0483(18) Uani 0.593(9) 1 d P A 2
H13C H 0.2537 -0.1097 -0.3846 0.058 Uiso 0.593(9) 1 calc PR A 2
H13D H 0.1764 -0.1840 -0.4255 0.058 Uiso 0.593(9) 1 calc PR A 2
C14B C 0.2608(9) -0.1842(4) -0.2618(5) 0.0424(16) Uani 0.593(9) 1 d P A 2
H14C H 0.1924 -0.2222 -0.2382 0.051 Uiso 0.593(9) 1 calc PR A 2
H14D H 0.3621 -0.2057 -0.2744 0.051 Uiso 0.593(9) 1 calc PR A 2
C15 C 0.4040(4) -0.14887(16) -0.1148(3) 0.0587(10) Uani 1 1 d . A .
H15 H 0.4632 -0.1867 -0.1408 0.070 Uiso 1 1 calc R . .
C16 C 0.4624(3) -0.12175(14) -0.0089(3) 0.0469(7) Uani 1 1 d . . .
C17 C 0.3957(3) -0.06531(13) 0.0444(2) 0.0346(6) Uani 1 1 d . A .
C18 C 0.4599(3) -0.04512(13) 0.1533(2) 0.0333(6) Uani 1 1 d . . .
C19 C 0.4012(3) 0.01241(13) 0.2139(2) 0.0317(5) Uani 1 1 d . A .
C20 C 0.4667(3) 0.02364(16) 0.3227(2) 0.0406(6) Uani 1 1 d . . .
H20 H 0.4255 0.0603 0.3644 0.049 Uiso 1 1 calc R A .
C21 C 0.5904(3) -0.01730(18) 0.3714(3) 0.0509(8) Uani 1 1 d . A .
H21 H 0.6313 -0.0087 0.4458 0.061 Uiso 1 1 calc R . .
C22 C 0.6531(3) -0.06933(18) 0.3141(3) 0.0549(9) Uani 1 1 d . . .
H22 H 0.7403 -0.0957 0.3475 0.066 Uiso 1 1 calc R A .
C23 C 0.5908(3) -0.08458(15) 0.2061(3) 0.0449(7) Uani 1 1 d . A .
C24 C 0.6571(4) -0.13964(17) 0.1485(3) 0.0577(9) Uani 1 1 d . . .
H24 H 0.7457 -0.1647 0.1828 0.069 Uiso 1 1 calc R A .
C25 C 0.5970(4) -0.15705(16) 0.0462(4) 0.0610(10) Uani 1 1 d . A .
H25 H 0.6450 -0.1939 0.0090 0.073 Uiso 1 1 calc R . .
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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Cu1 N1 99.04(13) . . ?
N2 Cu1 O3 92.26(11) . . ?
N1 Cu1 O3 167.13(10) . . ?
N2 Cu1 O1 168.64(10) . . ?
N1 Cu1 O1 90.35(10) . . ?
O3 Cu1 O1 77.77(7) . . ?
N2 Cu1 O2 94.11(8) . 3 ?
N1 Cu1 O2 91.99(8) . 3 ?
O3 Cu1 O2 93.31(6) . 3 ?
O1 Cu1 O2 91.93(6) . 3 ?
N2 Cu1 Cu2 130.61(9) . . ?
N1 Cu1 Cu2 129.70(9) . . ?
O3 Cu1 Cu2 38.42(5) . . ?
O1 Cu1 Cu2 39.40(5) . . ?
O2 Cu1 Cu2 91.91(4) 3 . ?
O4 Cu2 O2 93.41(7) . . ?
O4 Cu2 O3 95.11(8) . . ?
O2 Cu2 O3 169.56(7) . . ?
O4 Cu2 O1 174.89(8) . . ?
O2 Cu2 O1 91.46(7) . . ?
O3 Cu2 O1 79.89(8) . . ?
O4 Cu2 Cu1 134.73(5) . . ?
O2 Cu2 Cu1 131.18(5) . . ?
O3 Cu2 Cu1 39.72(5) . . ?
O1 Cu2 Cu1 40.22(5) . . ?
C2 O1 Cu2 125.40(16) . . ?
C2 O1 Cu1 130.11(16) . . ?
Cu2 O1 Cu1 100.38(8) . . ?
C4 O2 Cu2 122.12(15) . . ?
C4 O2 Cu1 116.73(14) . 3 ?
Cu2 O2 Cu1 96.43(7) . 3 ?
C17 O3 Cu2 127.46(17) . . ?
C17 O3 Cu1 130.66(16) . . ?
Cu2 O3 Cu1 101.87(8) . . ?
C19 O4 Cu2 126.44(16) . . ?
C11 N1 C12A 102.0(5) . . ?
C11 N1 C12B 125.7(4) . . ?
C11 N1 Cu1 123.6(2) . . ?
C12A N1 Cu1 134.5(5) . . ?
C12B N1 Cu1 110.7(3) . . ?
C15 N2 C14B 105.8(4) . . ?
C15 N2 C14A 127.0(4) . . ?
C15 N2 Cu1 123.6(2) . . ?
C14B N2 Cu1 129.8(4) . . ?
C14A N2 Cu1 108.9(4) . . ?
C2 C1 C10 119.1(3) . . ?
C2 C1 C11 123.8(3) . . ?
C10 C1 C11 117.1(3) . . ?
O1 C2 C1 118.9(3) . . ?
O1 C2 C3 121.0(2) . . ?
C1 C2 C3 120.1(3) . . ?
C4 C3 C2 123.9(2) . . ?
C4 C3 C8 118.1(3) . . ?
C2 C3 C8 118.0(2) . . ?
O2 C4 C5 117.7(2) . . ?
O2 C4 C3 123.6(2) . . ?
C5 C4 C3 118.7(2) . . ?
C6 C5 C4 121.7(3) . . ?
C7 C6 C5 120.8(3) . . ?
C6 C7 C8 120.4(3) . . ?
C7 C8 C9 120.0(3) . . ?
C7 C8 C3 120.1(3) . . ?
C9 C8 C3 119.9(3) . . ?
C10 C9 C8 120.7(3) . . ?
C9 C10 C1 122.0(3) . . ?
N1 C11 C1 130.1(3) . . ?
N1 C12A C13A 103.6(7) . . ?
C12A C13A C14A 114.3(9) . . ?
C13A C14A N2 115.3(7) . . ?
C13B C12B N1 116.7(6) . . ?
C12B C13B C14B 113.7(6) . . ?
N2 C14B C13B 106.4(5) . . ?
N2 C15 C16 129.7(3) . . ?
C17 C16 C15 124.9(3) . . ?
C17 C16 C25 118.9(3) . . ?
C15 C16 C25 116.1(3) . . ?
O3 C17 C16 118.7(3) . . ?
O3 C17 C18 121.3(2) . . ?
C16 C17 C18 119.9(3) . . ?
C17 C18 C19 124.0(2) . . ?
C17 C18 C23 118.5(3) . . ?
C19 C18 C23 117.4(3) . . ?
O4 C19 C20 116.2(2) . . ?
O4 C19 C18 125.2(2) . . ?
C20 C19 C18 118.6(2) . . ?
C21 C20 C19 121.8(3) . . ?
C22 C21 C20 120.7(3) . . ?
C21 C22 C23 120.5(3) . . ?
C22 C23 C24 119.4(3) . . ?
C22 C23 C18 120.9(3) . . ?
C24 C23 C18 119.7(3) . . ?
C25 C24 C23 120.9(3) . . ?
C24 C25 C16 121.9(3) . . ?
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 N2 1.930(3) . ?
Cu1 N1 1.950(3) . ?
Cu1 O3 1.9669(18) . ?
Cu1 O1 1.9776(18) . ?
Cu1 O2 2.4153(17) 3 ?
Cu1 Cu2 3.0124(4) . ?
Cu2 O4 1.8530(17) . ?
Cu2 O2 1.8778(17) . ?
Cu2 O3 1.9127(17) . ?
Cu2 O1 1.9437(16) . ?
O1 C2 1.337(3) . ?
O2 C4 1.323(3) . ?
O2 Cu1 2.4153(17) 3 ?
O3 C17 1.331(3) . ?
O4 C19 1.308(3) . ?
N1 C11 1.277(5) . ?
N1 C12A 1.426(12) . ?
N1 C12B 1.548(9) . ?
N2 C15 1.280(5) . ?
N2 C14B 1.424(6) . ?
N2 C14A 1.631(10) . ?
C1 C2 1.397(4) . ?
C1 C10 1.426(5) . ?
C1 C11 1.427(5) . ?
C2 C3 1.433(4) . ?
C3 C4 1.431(4) . ?
C3 C8 1.438(4) . ?
C4 C5 1.391(4) . ?
C5 C6 1.387(4) . ?
C6 C7 1.360(5) . ?
C7 C8 1.397(5) . ?
C8 C9 1.407(4) . ?
C9 C10 1.337(5) . ?
C12A C13A 1.487(13) . ?
C13A C14A 1.506(12) . ?
C12B C13B 1.500(10) . ?
C13B C14B 1.502(9) . ?
C15 C16 1.427(5) . ?
C16 C17 1.403(4) . ?
C16 C25 1.431(5) . ?
C17 C18 1.431(4) . ?
C18 C19 1.435(4) . ?
C18 C23 1.436(4) . ?
C19 C20 1.399(4) . ?
C20 C21 1.388(4) . ?
C21 C22 1.352(5) . ?
C22 C23 1.395(5) . ?
C23 C24 1.410(5) . ?
C24 C25 1.338(5) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Cu1 Cu2 O4 -8.90(13) . . . . ?
N1 Cu1 Cu2 O4 -177.66(12) . . . . ?
O3 Cu1 Cu2 O4 -4.76(11) . . . . ?
O1 Cu1 Cu2 O4 178.87(11) . . . . ?
O2 Cu1 Cu2 O4 88.16(9) 3 . . . ?
N2 Cu1 Cu2 O2 -176.80(12) . . . . ?
N1 Cu1 Cu2 O2 14.44(12) . . . . ?
O3 Cu1 Cu2 O2 -172.66(10) . . . . ?
O1 Cu1 Cu2 O2 10.97(10) . . . . ?
O2 Cu1 Cu2 O2 -79.74(9) 3 . . . ?
N2 Cu1 Cu2 O3 -4.14(13) . . . . ?
N1 Cu1 Cu2 O3 -172.90(12) . . . . ?
O1 Cu1 Cu2 O3 -176.37(11) . . . . ?
O2 Cu1 Cu2 O3 92.92(9) 3 . . . ?
N2 Cu1 Cu2 O1 172.22(13) . . . . ?
N1 Cu1 Cu2 O1 3.47(11) . . . . ?
O3 Cu1 Cu2 O1 176.37(11) . . . . ?
O2 Cu1 Cu2 O1 -90.71(9) 3 . . . ?
O2 Cu2 O1 C2 29.21(19) . . . . ?
O3 Cu2 O1 C2 -156.68(19) . . . . ?
Cu1 Cu2 O1 C2 -159.0(2) . . . . ?
O2 Cu2 O1 Cu1 -171.76(8) . . . . ?
O3 Cu2 O1 Cu1 2.36(7) . . . . ?
N2 Cu1 O1 C2 126.2(5) . . . . ?
N1 Cu1 O1 C2 -19.7(2) . . . . ?
O3 Cu1 O1 C2 155.3(2) . . . . ?
O2 Cu1 O1 C2 -111.8(2) 3 . . . ?
Cu2 Cu1 O1 C2 157.6(2) . . . . ?
N2 Cu1 O1 Cu2 -31.4(5) . . . . ?
N1 Cu1 O1 Cu2 -177.33(9) . . . . ?
O3 Cu1 O1 Cu2 -2.31(7) . . . . ?
O2 Cu1 O1 Cu2 90.67(7) 3 . . . ?
O4 Cu2 O2 C4 143.10(18) . . . . ?
O3 Cu2 O2 C4 -72.3(5) . . . . ?
O1 Cu2 O2 C4 -38.42(18) . . . . ?
Cu1 Cu2 O2 C4 -45.5(2) . . . . ?
O4 Cu2 O2 Cu1 -89.66(7) . . . 3 ?
O3 Cu2 O2 Cu1 55.0(4) . . . 3 ?
O1 Cu2 O2 Cu1 88.83(7) . . . 3 ?
Cu1 Cu2 O2 Cu1 81.76(7) . . . 3 ?
O4 Cu2 O3 C17 -4.5(2) . . . . ?
O2 Cu2 O3 C17 -149.1(4) . . . . ?
O1 Cu2 O3 C17 176.5(2) . . . . ?
Cu1 Cu2 O3 C17 178.8(2) . . . . ?
O4 Cu2 O3 Cu1 176.61(8) . . . . ?
O2 Cu2 O3 Cu1 32.1(4) . . . . ?
O1 Cu2 O3 Cu1 -2.38(7) . . . . ?
N2 Cu1 O3 C17 -1.9(2) . . . . ?
N1 Cu1 O3 C17 -153.5(4) . . . . ?
O1 Cu1 O3 C17 -176.4(2) . . . . ?
O2 Cu1 O3 C17 92.3(2) 3 . . . ?
Cu2 Cu1 O3 C17 -178.8(2) . . . . ?
N2 Cu1 O3 Cu2 176.85(9) . . . . ?
N1 Cu1 O3 Cu2 25.3(4) . . . . ?
O1 Cu1 O3 Cu2 2.36(7) . . . . ?
O2 Cu1 O3 Cu2 -88.90(7) 3 . . . ?
O2 Cu2 O4 C19 172.49(19) . . . . ?
O3 Cu2 O4 C19 -1.5(2) . . . . ?
Cu1 Cu2 O4 C19 1.6(2) . . . . ?
N2 Cu1 N1 C11 -161.3(3) . . . . ?
O3 Cu1 N1 C11 -10.1(6) . . . . ?
O1 Cu1 N1 C11 12.3(3) . . . . ?
O2 Cu1 N1 C11 104.2(3) 3 . . . ?
Cu2 Cu1 N1 C11 10.1(3) . . . . ?
N2 Cu1 N1 C12A 19.6(8) . . . . ?
O3 Cu1 N1 C12A 170.8(8) . . . . ?
O1 Cu1 N1 C12A -166.8(8) . . . . ?
O2 Cu1 N1 C12A -74.9(8) 3 . . . ?
Cu2 Cu1 N1 C12A -169.0(8) . . . . ?
N2 Cu1 N1 C12B 20.3(4) . . . . ?
O3 Cu1 N1 C12B 171.5(5) . . . . ?
O1 Cu1 N1 C12B -166.1(4) . . . . ?
O2 Cu1 N1 C12B -74.2(4) 3 . . . ?
Cu2 Cu1 N1 C12B -168.3(4) . . . . ?
N1 Cu1 N2 C15 172.0(3) . . . . ?
O3 Cu1 N2 C15 -1.8(3) . . . . ?
O1 Cu1 N2 C15 26.6(7) . . . . ?
O2 Cu1 N2 C15 -95.3(3) 3 . . . ?
Cu2 Cu1 N2 C15 0.7(3) . . . . ?
N1 Cu1 N2 C14B -19.5(4) . . . . ?
O3 Cu1 N2 C14B 166.7(4) . . . . ?
O1 Cu1 N2 C14B -164.9(5) . . . . ?
O2 Cu1 N2 C14B 73.2(4) 3 . . . ?
Cu2 Cu1 N2 C14B 169.2(4) . . . . ?
N1 Cu1 N2 C14A -0.4(5) . . . . ?
O3 Cu1 N2 C14A -174.2(5) . . . . ?
O1 Cu1 N2 C14A -145.8(6) . . . . ?
O2 Cu1 N2 C14A 92.3(5) 3 . . . ?
Cu2 Cu1 N2 C14A -171.6(5) . . . . ?
Cu2 O1 C2 C1 167.14(17) . . . . ?
Cu1 O1 C2 C1 14.5(3) . . . . ?
Cu2 O1 C2 C3 -12.6(3) . . . . ?
Cu1 O1 C2 C3 -165.18(16) . . . . ?
C10 C1 C2 O1 -179.0(2) . . . . ?
C11 C1 C2 O1 3.1(4) . . . . ?
C10 C1 C2 C3 0.7(4) . . . . ?
C11 C1 C2 C3 -177.2(2) . . . . ?
O1 C2 C3 C4 -5.6(4) . . . . ?
C1 C2 C3 C4 174.7(2) . . . . ?
O1 C2 C3 C8 174.8(2) . . . . ?
C1 C2 C3 C8 -4.9(3) . . . . ?
Cu2 O2 C4 C5 -147.94(18) . . . . ?
Cu1 O2 C4 C5 94.4(2) 3 . . . ?
Cu2 O2 C4 C3 33.2(3) . . . . ?
Cu1 O2 C4 C3 -84.5(2) 3 . . . ?
C2 C3 C4 O2 -5.1(4) . . . . ?
C8 C3 C4 O2 174.5(2) . . . . ?
C2 C3 C4 C5 176.0(2) . . . . ?
C8 C3 C4 C5 -4.4(3) . . . . ?
O2 C4 C5 C6 -177.6(2) . . . . ?
C3 C4 C5 C6 1.3(4) . . . . ?
C4 C5 C6 C7 1.6(4) . . . . ?
C5 C6 C7 C8 -1.1(5) . . . . ?
C6 C7 C8 C9 177.4(3) . . . . ?
C6 C7 C8 C3 -2.1(4) . . . . ?
C4 C3 C8 C7 4.9(4) . . . . ?
C2 C3 C8 C7 -175.5(2) . . . . ?
C4 C3 C8 C9 -174.7(2) . . . . ?
C2 C3 C8 C9 5.0(4) . . . . ?
C7 C8 C9 C10 179.8(3) . . . . ?
C3 C8 C9 C10 -0.6(4) . . . . ?
C8 C9 C10 C1 -3.9(5) . . . . ?
C2 C1 C10 C9 3.9(4) . . . . ?
C11 C1 C10 C9 -178.1(3) . . . . ?
C12A N1 C11 C1 177.8(6) . . . . ?
C12B N1 C11 C1 176.6(5) . . . . ?
Cu1 N1 C11 C1 -1.5(5) . . . . ?
C2 C1 C11 N1 -10.0(5) . . . . ?
C10 C1 C11 N1 172.0(3) . . . . ?
C11 N1 C12A C13A -172.1(7) . . . . ?
C12B N1 C12A C13A 5.5(13) . . . . ?
Cu1 N1 C12A C13A 7.1(13) . . . . ?
N1 C12A C13A C14A -58.6(11) . . . . ?
C12A C13A C14A N2 85.1(12) . . . . ?
C15 N2 C14A C13A 145.7(7) . . . . ?
C14B N2 C14A C13A 103.5(17) . . . . ?
Cu1 N2 C14A C13A -42.3(10) . . . . ?
C11 N1 C12B C13B 131.3(5) . . . . ?
C12A N1 C12B C13B 128(2) . . . . ?
Cu1 N1 C12B C13B -50.3(7) . . . . ?
N1 C12B C13B C14B 78.0(8) . . . . ?
C15 N2 C14B C13B -151.0(5) . . . . ?
C14A N2 C14B C13B -4.8(9) . . . . ?
Cu1 N2 C14B C13B 39.0(7) . . . . ?
C12B C13B C14B N2 -63.9(7) . . . . ?
C14B N2 C15 C16 -167.3(4) . . . . ?
C14A N2 C15 C16 174.4(6) . . . . ?
Cu1 N2 C15 C16 3.5(5) . . . . ?
N2 C15 C16 C17 -1.2(5) . . . . ?
N2 C15 C16 C25 177.2(3) . . . . ?
Cu2 O3 C17 C16 -174.33(17) . . . . ?
Cu1 O3 C17 C16 4.2(3) . . . . ?
Cu2 O3 C17 C18 6.1(3) . . . . ?
Cu1 O3 C17 C18 -175.37(16) . . . . ?
C15 C16 C17 O3 -2.8(4) . . . . ?
C25 C16 C17 O3 178.9(2) . . . . ?
C15 C16 C17 C18 176.7(2) . . . . ?
C25 C16 C17 C18 -1.6(4) . . . . ?
O3 C17 C18 C19 -1.3(4) . . . . ?
C16 C17 C18 C19 179.1(2) . . . . ?
O3 C17 C18 C23 178.4(2) . . . . ?
C16 C17 C18 C23 -1.1(3) . . . . ?
Cu2 O4 C19 C20 -174.53(17) . . . . ?
Cu2 O4 C19 C18 5.9(3) . . . . ?
C17 C18 C19 O4 -5.0(4) . . . . ?
C23 C18 C19 O4 175.2(2) . . . . ?
C17 C18 C19 C20 175.4(2) . . . . ?
C23 C18 C19 C20 -4.3(3) . . . . ?
O4 C19 C20 C21 -176.9(2) . . . . ?
C18 C19 C20 C21 2.7(4) . . . . ?
C19 C20 C21 C22 0.8(4) . . . . ?
C20 C21 C22 C23 -2.4(5) . . . . ?
C21 C22 C23 C24 -179.3(3) . . . . ?
C21 C22 C23 C18 0.6(4) . . . . ?
C17 C18 C23 C22 -176.9(2) . . . . ?
C19 C18 C23 C22 2.8(4) . . . . ?
C17 C18 C23 C24 2.9(4) . . . . ?
C19 C18 C23 C24 -177.3(2) . . . . ?
C22 C23 C24 C25 177.9(3) . . . . ?
C18 C23 C24 C25 -1.9(4) . . . . ?
C23 C24 C25 C16 -0.9(5) . . . . ?
C17 C16 C25 C24 2.7(4) . . . . ?
C15 C16 C25 C24 -175.8(3) . . . . ?
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1 PubChem 139153409
