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#$Date: 2025-08-21 13:25:49 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301846 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/79/7007990.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_7007990
loop_
_publ_author_name
'Itoh, Sumitaka'
'Kishikawa, Nobuyuki'
'Suzuki, Takayoshi'
'Takagi, Hideo D.'
_publ_section_title
;
 Syntheses, structural analyses and redox kinetics of four-coordinate
 [CuL2]2+ and five-coordinate [CuL2(solvent)]2+ complexes (L =
 6,6'-dimethyl-2,2'-bipyridine or 2,9-dimethyl-1,10-phenanthroline):
 completely gated reduction reaction of [Cu(dmp)2]2+ in nitromethane.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1066
_journal_page_last               1078
_journal_paper_doi               10.1039/b415057k
_journal_year                    2005
_chemical_formula_moiety         'C24 H24 Cu N4 1+, Cl O4 1-'
_chemical_formula_sum            'C24 H24 Cl Cu N4 O4'
_chemical_formula_weight         531.46
_chemical_name_systematic
;
Bis(6,6'-dimethyl-2,2'-bipyridine)copper(I) perchlorate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 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                 95.68(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.833(5)
_cell_length_b                   21.684(12)
_cell_length_c                   12.384(7)
_cell_measurement_reflns_used    17609
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2360(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan ver. 1.11'
_computing_molecular_graphics    ORTEP
_computing_publication_material  SHELXL-97
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Raxis-rapid'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0939
_diffrn_reflns_av_sigmaI/netI    0.0770
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22552
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    1.077
_exptl_absorpt_correction_T_max  0.806
_exptl_absorpt_correction_T_min  0.535
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.488
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       0.0017(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         5403
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0971
_refine_ls_wR_factor_ref         0.1038
_reflns_number_gt                3664
_reflns_number_total             5403
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            b415057k.txt
_cod_data_source_block           Cu(I)dmbp200K
_cod_original_cell_volume        2361(2)
_cod_database_code               7007990
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.41388(4) 0.374085(14) 0.79051(3) 0.02935(11) Uani 1 1 d . . .
Cl1 Cl 0.07495(9) 0.62974(3) 0.70247(6) 0.04196(18) Uani 1 1 d . . .
O11 O -0.0803(4) 0.64977(17) 0.6879(3) 0.0975(11) Uani 1 1 d . . .
O12 O 0.1671(3) 0.68283(12) 0.6925(2) 0.0705(8) Uani 1 1 d . . .
O13 O 0.0999(5) 0.58887(14) 0.6187(3) 0.0971(12) Uani 1 1 d . . .
O14 O 0.1018(5) 0.6029(2) 0.8050(3) 0.1211(15) Uani 1 1 d . . .
N1 N 0.5239(3) 0.44327(9) 0.71748(17) 0.0268(5) Uani 1 1 d . . .
N2 N 0.4851(2) 0.32560(9) 0.66567(17) 0.0260(4) Uani 1 1 d . . .
N3 N 0.4262(3) 0.34794(9) 0.94842(18) 0.0269(5) Uani 1 1 d . . .
N4 N 0.1961(2) 0.39554(9) 0.81949(18) 0.0286(5) Uani 1 1 d . . .
C1 C 0.4642(4) 0.52056(14) 0.8488(3) 0.0497(9) Uani 1 1 d . . .
H1A H 0.4798 0.5647 0.8627 0.061 Uiso 1 1 calc R . .
H1B H 0.5108 0.4969 0.9109 0.061 Uiso 1 1 calc R . .
H1C H 0.3550 0.5117 0.8384 0.061 Uiso 1 1 calc R . .
C2 C 0.5363(3) 0.50272(12) 0.7487(2) 0.0321(6) Uani 1 1 d . . .
C3 C 0.6135(4) 0.54526(12) 0.6907(2) 0.0369(7) Uani 1 1 d . . .
H3 H 0.6218 0.5870 0.7141 0.044 Uiso 1 1 calc R . .
C4 C 0.6777(4) 0.52680(13) 0.5995(2) 0.0382(7) Uani 1 1 d . . .
H4 H 0.7316 0.5555 0.5597 0.045 Uiso 1 1 calc R . .
C5 C 0.6630(3) 0.46602(12) 0.5662(2) 0.0321(6) Uani 1 1 d . . .
H5 H 0.7063 0.4523 0.5032 0.038 Uiso 1 1 calc R . .
C6 C 0.5840(3) 0.42546(11) 0.6264(2) 0.0253(5) Uani 1 1 d . . .
C7 C 0.5597(3) 0.35987(11) 0.5960(2) 0.0265(5) Uani 1 1 d . . .
C8 C 0.6097(3) 0.33475(13) 0.5031(2) 0.0355(6) Uani 1 1 d . . .
H8 H 0.6620 0.3595 0.4556 0.042 Uiso 1 1 calc R . .
C9 C 0.5825(4) 0.27327(14) 0.4806(3) 0.0429(7) Uani 1 1 d . . .
H9 H 0.6146 0.2552 0.4168 0.050 Uiso 1 1 calc R . .
C10 C 0.5079(4) 0.23833(13) 0.5517(3) 0.0400(7) Uani 1 1 d . . .
H10 H 0.4887 0.1958 0.5375 0.047 Uiso 1 1 calc R . .
C11 C 0.4611(3) 0.26543(12) 0.6442(2) 0.0304(6) Uani 1 1 d . . .
C12 C 0.3826(4) 0.22962(13) 0.7254(3) 0.0398(7) Uani 1 1 d . . .
H12A H 0.3708 0.1866 0.7015 0.048 Uiso 1 1 calc R . .
H12B H 0.2821 0.2476 0.7319 0.048 Uiso 1 1 calc R . .
H12C H 0.4433 0.2311 0.7960 0.048 Uiso 1 1 calc R . .
C13 C 0.6868(4) 0.31325(16) 0.9556(3) 0.0491(8) Uani 1 1 d . . .
H13A H 0.7628 0.2927 1.0063 0.058 Uiso 1 1 calc R . .
H13B H 0.7247 0.3540 0.9370 0.058 Uiso 1 1 calc R . .
H13C H 0.6679 0.2884 0.8895 0.058 Uiso 1 1 calc R . .
C14 C 0.5430(3) 0.32039(12) 1.0071(2) 0.0339(6) Uani 1 1 d . . .
C15 C 0.5291(4) 0.29964(13) 1.1122(2) 0.0438(8) Uani 1 1 d . . .
H15 H 0.6133 0.2808 1.1533 0.052 Uiso 1 1 calc R . .
C16 C 0.3935(4) 0.30650(13) 1.1560(2) 0.0449(8) Uani 1 1 d . . .
H16 H 0.3822 0.2914 1.2267 0.052 Uiso 1 1 calc R . .
C17 C 0.2739(4) 0.33535(13) 1.0969(2) 0.0381(7) Uani 1 1 d . . .
H17 H 0.1800 0.3413 1.1267 0.045 Uiso 1 1 calc R . .
C18 C 0.2930(3) 0.35565(11) 0.9929(2) 0.0287(6) Uani 1 1 d . . .
C19 C 0.1709(3) 0.38823(11) 0.9249(2) 0.0308(6) Uani 1 1 d . . .
C20 C 0.0419(4) 0.41146(15) 0.9643(3) 0.0477(8) Uani 1 1 d . . .
H20 H 0.0256 0.4056 1.0382 0.056 Uiso 1 1 calc R . .
C21 C -0.0627(4) 0.44305(18) 0.8964(4) 0.0584(10) Uani 1 1 d . . .
H21 H -0.1516 0.4595 0.9228 0.070 Uiso 1 1 calc R . .
C22 C -0.0372(4) 0.45056(16) 0.7901(3) 0.0511(9) Uani 1 1 d . . .
H22 H -0.1085 0.4724 0.7419 0.062 Uiso 1 1 calc R . .
C23 C 0.0934(3) 0.42616(12) 0.7528(3) 0.0367(6) Uani 1 1 d . . .
C24 C 0.1254(4) 0.43350(16) 0.6375(3) 0.0487(8) Uani 1 1 d . . .
H24A H 0.1348 0.3927 0.6046 0.058 Uiso 1 1 calc R . .
H24B H 0.2206 0.4564 0.6346 0.058 Uiso 1 1 calc R . .
H24C H 0.0418 0.4562 0.5975 0.058 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
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
N2 Cu1 N3 126.94(9) . . ?
N2 Cu1 N4 128.48(9) . . ?
N3 Cu1 N4 81.72(10) . . ?
N2 Cu1 N1 81.13(9) . . ?
N3 Cu1 N1 130.42(9) . . ?
N4 Cu1 N1 114.02(9) . . ?
O14 Cl1 O13 112.7(3) . . ?
O14 Cl1 O12 111.7(2) . . ?
O13 Cl1 O12 108.34(18) . . ?
O14 Cl1 O11 108.4(2) . . ?
O13 Cl1 O11 108.5(3) . . ?
O12 Cl1 O11 107.0(2) . . ?
C2 N1 C6 119.1(2) . . ?
C2 N1 Cu1 127.09(19) . . ?
C6 N1 Cu1 113.75(16) . . ?
C11 N2 C7 118.8(2) . . ?
C11 N2 Cu1 126.97(18) . . ?
C7 N2 Cu1 114.14(16) . . ?
C14 N3 C18 119.1(2) . . ?
C14 N3 Cu1 127.68(19) . . ?
C18 N3 Cu1 112.98(18) . . ?
C23 N4 C19 119.1(2) . . ?
C23 N4 Cu1 126.5(2) . . ?
C19 N4 Cu1 112.91(19) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C3 121.1(3) . . ?
N1 C2 C1 117.1(2) . . ?
C3 C2 C1 121.8(3) . . ?
C4 C3 C2 119.7(3) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 119.3(3) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C4 C5 C6 118.8(3) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
N1 C6 C5 121.9(2) . . ?
N1 C6 C7 115.4(2) . . ?
C5 C6 C7 122.7(2) . . ?
N2 C7 C8 121.9(2) . . ?
N2 C7 C6 115.5(2) . . ?
C8 C7 C6 122.6(2) . . ?
C9 C8 C7 119.0(3) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C10 C9 C8 119.2(3) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C9 C10 C11 119.7(3) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
N2 C11 C10 121.4(2) . . ?
N2 C11 C12 116.5(2) . . ?
C10 C11 C12 122.1(2) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N3 C14 C15 121.0(3) . . ?
N3 C14 C13 117.3(3) . . ?
C15 C14 C13 121.7(3) . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 119.6(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C16 C17 C18 118.8(3) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
N3 C18 C17 121.8(3) . . ?
N3 C18 C19 116.1(2) . . ?
C17 C18 C19 122.1(3) . . ?
N4 C19 C20 121.2(3) . . ?
N4 C19 C18 115.1(2) . . ?
C20 C19 C18 123.7(3) . . ?
C21 C20 C19 119.8(3) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C22 C21 C20 119.0(3) . . ?
C22 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
C21 C22 C23 119.7(3) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
N4 C23 C22 121.2(3) . . ?
N4 C23 C24 117.5(3) . . ?
C22 C23 C24 121.3(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
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 2.021(2) . ?
Cu1 N3 2.029(2) . ?
Cu1 N4 2.045(2) . ?
Cu1 N1 2.047(2) . ?
Cl1 O14 1.395(3) . ?
Cl1 O13 1.399(3) . ?
Cl1 O12 1.422(3) . ?
Cl1 O11 1.433(3) . ?
N1 C2 1.347(3) . ?
N1 C6 1.349(3) . ?
N2 C11 1.344(3) . ?
N2 C7 1.358(3) . ?
N3 C14 1.342(4) . ?
N3 C18 1.358(4) . ?
N4 C23 1.340(4) . ?
N4 C19 1.355(3) . ?
C1 C2 1.499(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.389(4) . ?
C3 C4 1.373(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.385(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.482(3) . ?
C7 C8 1.384(4) . ?
C8 C9 1.378(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.378(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.386(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.495(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.485(4) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.394(4) . ?
C15 C16 1.371(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.375(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.480(4) . ?
C19 C20 1.379(4) . ?
C20 C21 1.369(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.368(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.492(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
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 N1 C2 178.9(2) . . . . ?
N3 Cu1 N1 C2 -49.4(3) . . . . ?
N4 Cu1 N1 C2 50.6(3) . . . . ?
N2 Cu1 N1 C6 1.37(18) . . . . ?
N3 Cu1 N1 C6 133.13(17) . . . . ?
N4 Cu1 N1 C6 -126.94(18) . . . . ?
N3 Cu1 N2 C11 45.3(3) . . . . ?
N4 Cu1 N2 C11 -66.3(3) . . . . ?
N1 Cu1 N2 C11 180.0(2) . . . . ?
N3 Cu1 N2 C7 -137.40(17) . . . . ?
N4 Cu1 N2 C7 111.05(18) . . . . ?
N1 Cu1 N2 C7 -2.67(18) . . . . ?
N2 Cu1 N3 C14 42.6(3) . . . . ?
N4 Cu1 N3 C14 175.2(2) . . . . ?
N1 Cu1 N3 C14 -70.2(2) . . . . ?
N2 Cu1 N3 C18 -131.50(16) . . . . ?
N4 Cu1 N3 C18 1.13(16) . . . . ?
N1 Cu1 N3 C18 115.73(18) . . . . ?
N2 Cu1 N4 C23 -57.2(3) . . . . ?
N3 Cu1 N4 C23 171.5(2) . . . . ?
N1 Cu1 N4 C23 40.8(2) . . . . ?
N2 Cu1 N4 C19 136.97(17) . . . . ?
N3 Cu1 N4 C19 5.66(17) . . . . ?
N1 Cu1 N4 C19 -125.07(17) . . . . ?
C6 N1 C2 C3 -2.0(4) . . . . ?
Cu1 N1 C2 C3 -179.3(2) . . . . ?
C6 N1 C2 C1 178.5(3) . . . . ?
Cu1 N1 C2 C1 1.1(4) . . . . ?
N1 C2 C3 C4 0.4(5) . . . . ?
C1 C2 C3 C4 180.0(3) . . . . ?
C2 C3 C4 C5 0.7(5) . . . . ?
C3 C4 C5 C6 -0.2(4) . . . . ?
C2 N1 C6 C5 2.4(4) . . . . ?
Cu1 N1 C6 C5 -179.8(2) . . . . ?
C2 N1 C6 C7 -177.7(2) . . . . ?
Cu1 N1 C6 C7 0.1(3) . . . . ?
C4 C5 C6 N1 -1.3(4) . . . . ?
C4 C5 C6 C7 178.8(3) . . . . ?
C11 N2 C7 C8 0.8(4) . . . . ?
Cu1 N2 C7 C8 -176.8(2) . . . . ?
C11 N2 C7 C6 -179.0(2) . . . . ?
Cu1 N2 C7 C6 3.5(3) . . . . ?
N1 C6 C7 N2 -2.3(3) . . . . ?
C5 C6 C7 N2 177.6(2) . . . . ?
N1 C6 C7 C8 177.9(2) . . . . ?
C5 C6 C7 C8 -2.2(4) . . . . ?
N2 C7 C8 C9 0.3(4) . . . . ?
C6 C7 C8 C9 -180.0(3) . . . . ?
C7 C8 C9 C10 -0.8(5) . . . . ?
C8 C9 C10 C11 0.3(5) . . . . ?
C7 N2 C11 C10 -1.4(4) . . . . ?
Cu1 N2 C11 C10 175.9(2) . . . . ?
C7 N2 C11 C12 178.3(2) . . . . ?
Cu1 N2 C11 C12 -4.5(4) . . . . ?
C9 C10 C11 N2 0.8(5) . . . . ?
C9 C10 C11 C12 -178.8(3) . . . . ?
C18 N3 C14 C15 0.2(4) . . . . ?
Cu1 N3 C14 C15 -173.6(2) . . . . ?
C18 N3 C14 C13 -179.6(2) . . . . ?
Cu1 N3 C14 C13 6.6(4) . . . . ?
N3 C14 C15 C16 1.0(4) . . . . ?
C13 C14 C15 C16 -179.2(3) . . . . ?
C14 C15 C16 C17 -1.8(4) . . . . ?
C15 C16 C17 C18 1.4(4) . . . . ?
C14 N3 C18 C17 -0.6(4) . . . . ?
Cu1 N3 C18 C17 174.1(2) . . . . ?
C14 N3 C18 C19 178.0(2) . . . . ?
Cu1 N3 C18 C19 -7.3(3) . . . . ?
C16 C17 C18 N3 -0.2(4) . . . . ?
C16 C17 C18 C19 -178.7(2) . . . . ?
C23 N4 C19 C20 0.2(4) . . . . ?
Cu1 N4 C19 C20 167.3(2) . . . . ?
C23 N4 C19 C18 -178.0(2) . . . . ?
Cu1 N4 C19 C18 -11.0(3) . . . . ?
N3 C18 C19 N4 12.5(3) . . . . ?
C17 C18 C19 N4 -168.9(2) . . . . ?
N3 C18 C19 C20 -165.8(3) . . . . ?
C17 C18 C19 C20 12.8(4) . . . . ?
N4 C19 C20 C21 -0.6(5) . . . . ?
C18 C19 C20 C21 177.5(3) . . . . ?
C19 C20 C21 C22 0.5(5) . . . . ?
C20 C21 C22 C23 0.0(6) . . . . ?
C19 N4 C23 C22 0.3(4) . . . . ?
Cu1 N4 C23 C22 -164.8(2) . . . . ?
C19 N4 C23 C24 179.7(3) . . . . ?
Cu1 N4 C23 C24 14.7(4) . . . . ?
C21 C22 C23 N4 -0.4(5) . . . . ?
C21 C22 C23 C24 -179.9(3) . . . . ?
loop_
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1 PubChem 139067338
