#------------------------------------------------------------------------------
#$Date: 2023-09-05 21:45:55 +0300 (Tue, 05 Sep 2023) $
#$Revision: 286023 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/94/1569485.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_1569485
loop_
_publ_author_name
'Nakano, Akiyuki'
'Raut, Vivek S.'
'Asao, Naoki'
'Ando, Akane'
'Fujisawa, Kiyoshi'
'Higashimura, Hideyuki'
_publ_section_title
;
 Enzyme-inspired catalysts with high activity and selectivity for
 oxidative polymerization of 2-phenylphenol
;
_journal_issue                   17
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              4968
_journal_page_last               4977
_journal_paper_doi               10.1039/D3CY00170A
_journal_volume                  13
_journal_year                    2023
_chemical_formula_moiety         'C18 H10 Cl Cu F6 N3 P'
_chemical_formula_sum            'C18 H10 Cl Cu F6 N3 P'
_chemical_formula_weight         512.26
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2023-01-28 deposited with the CCDC.	2023-07-11 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            4
_cell_length_a                   10.9907(8)
_cell_length_b                   10.9907(8)
_cell_length_c                   23.1929(16)
_cell_measurement_reflns_used    4834
_cell_measurement_temperature    178
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.00
_cell_volume                     2426.3(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.118a (Rigaku OD, 2021)'
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL Version 2014/3 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      178
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0362
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11627
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.490
_diffrn_reflns_theta_min         3.395
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.129
_exptl_absorpt_correction_T_max  0.882
_exptl_absorpt_correction_T_min  0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.118a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1016.00
_exptl_crystal_size_max          0.192
_exptl_crystal_size_mid          0.147
_exptl_crystal_size_min          0.111
_refine_diff_density_max         8.09
_refine_diff_density_min         -2.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3726
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1336
_refine_ls_R_factor_gt           0.1213
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1532P)²+17.1117P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3052
_refine_ls_wR_factor_ref         0.3133
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3150
_reflns_number_total             3726
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d3cy00170a2.cif
_cod_data_source_block           tacnCuClPF6
_cod_depositor_comments
'Adding full bibliography for 1569484--1569485.cif.'
_cod_database_code               1569485
_shelxl_version_number           2014-3
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -Y,+X-Y,+Z
3 -X+Y,-X,+Z
4 -X,-Y,-Z
5 +Y,-X+Y,-Z
6 +X-Y,+X,-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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.6667 1.3333 0.39945(4) 0.0268(4) Uani 1 3 d S T P . .
Cu2 Cu 0.3333 0.6667 0.1468(12) 0.600(14) Uani 1 3 d S T P . .
Cl1 Cl 0.6667 1.3333 0.49262(10) 0.0389(6) Uani 1 3 d S T P . .
Cl2 Cl 0.3333 0.6667 0.2347(15) 0.83(6) Uani 1 3 d S T P . .
P1 P 0.6667 1.3333 0.11661(11) 0.0338(6) Uani 1 3 d S T P . .
P2 P 0.0000 1.0000 0.30102(13) 0.0414(7) Uani 1 3 d S T P . .
F1 F 0.6734(7) 1.2194(6) 0.1558(2) 0.0759(16) Uani 1 1 d . . . . .
F2 F 0.5539(5) 1.2121(5) 0.07551(18) 0.0562(12) Uani 1 1 d . . . . .
F3 F -0.0839(9) 0.8645(8) 0.2631(4) 0.124(3) Uani 1 1 d . . . . .
F4 F 0.0821(10) 1.1323(9) 0.3387(4) 0.144(4) Uani 1 1 d . . . . .
N1 N 0.5529(5) 1.1606(5) 0.34706(19) 0.0286(10) Uani 1 1 d . . . . .
N2 N 0.2307(5) 0.7375(5) 0.1016(2) 0.0285(10) Uani 1 1 d . . . . .
C1 C 0.5912(8) 0.9926(7) 0.4051(3) 0.0439(15) Uani 1 1 d . . . . .
H1A H 0.6536 0.9920 0.3751 0.053 Uiso 1 1 calc R U . . .
H1B H 0.6462 1.0679 0.4328 0.053 Uiso 1 1 calc R U . . .
H1C H 0.5458 0.9020 0.4252 0.053 Uiso 1 1 calc R U . . .
C2 C 0.3842(7) 1.0179(7) 0.4252(3) 0.0435(15) Uani 1 1 d . . . . .
H2A H 0.3116 1.0338 0.4083 0.052 Uiso 1 1 calc R U . . .
H2B H 0.3398 0.9272 0.4451 0.052 Uiso 1 1 calc R U . . .
H2C H 0.4402 1.0931 0.4527 0.052 Uiso 1 1 calc R U . . .
C3 C 0.3884(8) 0.8981(7) 0.3353(4) 0.0517(18) Uani 1 1 d . . . . .
H3A H 0.4478 0.8961 0.3043 0.062 Uiso 1 1 calc R U . . .
H3B H 0.3443 0.8081 0.3559 0.062 Uiso 1 1 calc R U . . .
H3C H 0.3154 0.9140 0.3189 0.062 Uiso 1 1 calc R U . . .
C4 C 0.4791(7) 1.0176(6) 0.3776(3) 0.0360(13) Uani 1 1 d . . . . .
C5 C 0.4478(7) 1.1929(7) 0.3206(3) 0.0386(13) Uani 1 1 d . . . . .
H5A H 0.3723 1.1720 0.3488 0.046 Uiso 1 1 calc R U . . .
H5B H 0.4046 1.1316 0.2866 0.046 Uiso 1 1 calc R U . . .
C6 C 0.6545(7) 1.1693(7) 0.3021(3) 0.0377(13) Uani 1 1 d . . . . .
H6A H 0.6408 1.2115 0.2668 0.045 Uiso 1 1 calc R U . . .
H6B H 0.6334 1.0730 0.2924 0.045 Uiso 1 1 calc R U . . .
C7 C 0.2948(8) 0.9511(7) 0.1608(3) 0.0489(17) Uani 1 1 d . . . . .
H7A H 0.3640 0.9360 0.1814 0.059 Uiso 1 1 calc R U . . .
H7B H 0.3396 1.0117 0.1273 0.059 Uiso 1 1 calc R U . . .
H7C H 0.2586 0.9962 0.1866 0.059 Uiso 1 1 calc R U . . .
C8 C 0.1122(10) 0.7213(8) 0.1941(4) 0.063(2) Uani 1 1 d . . . . .
H8A H 0.0339 0.6295 0.1828 0.076 Uiso 1 1 calc R U . . .
H8B H 0.1841 0.7085 0.2137 0.076 Uiso 1 1 calc R U . . .
H8C H 0.0780 0.7675 0.2204 0.076 Uiso 1 1 calc R U . . .
C9 C 0.0679(9) 0.8339(10) 0.1089(5) 0.064(2) Uani 1 1 d . . . . .
H9A H -0.0094 0.7429 0.0960 0.076 Uiso 1 1 calc R U . . .
H9B H 0.0312 0.8787 0.1346 0.076 Uiso 1 1 calc R U . . .
H9C H 0.1122 0.8942 0.0753 0.076 Uiso 1 1 calc R U . . .
C10 C 0.1754(7) 0.8119(7) 0.1408(3) 0.0409(15) Uani 1 1 d . . . . .
C11 C 0.3350(6) 0.8272(6) 0.0575(3) 0.0330(12) Uani 1 1 d . . . . .
H11A H 0.3222 0.9084 0.0491 0.040 Uiso 1 1 calc R U . . .
H11B H 0.3167 0.7725 0.0215 0.040 Uiso 1 1 calc R U . . .
C12 C 0.1187(6) 0.6054(6) 0.0760(3) 0.0329(12) Uani 1 1 d . . . . .
H12A H 0.0790 0.6280 0.0420 0.040 Uiso 1 1 calc R U . . .
H12B H 0.0422 0.5564 0.1045 0.040 Uiso 1 1 calc R U . . .
C13 C 0.1352(11) 1.013(2) 0.5113(4) 0.093(4) Uani 1 1 d . . . . .
H13A H 0.1340 1.0133 0.5540 0.111 Uiso 1 1 calc R U . . .
H13B H 0.2251 1.0223 0.4984 0.111 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cu Cu 0.3201 1.2651
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(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
N1 Cu1 N1 88.94(19) 2_775 . ?
N1 Cu1 N1 88.94(19) 2_775 3_575 ?
N1 Cu1 N1 88.94(19) . 3_575 ?
N1 Cu1 Cl1 126.01(13) 2_775 . ?
N1 Cu1 Cl1 126.01(13) . . ?
N1 Cu1 Cl1 126.01(13) 3_575 . ?
N2 Cu2 N2 94.2(9) . 3_565 ?
N2 Cu2 N2 94.2(9) . 2_665 ?
N2 Cu2 N2 94.2(9) 3_565 2_665 ?
N2 Cu2 Cl2 122.3(7) . . ?
N2 Cu2 Cl2 122.3(7) 3_565 . ?
N2 Cu2 Cl2 122.3(7) 2_665 . ?
F1 P1 F1 90.1(3) . 2_775 ?
F1 P1 F1 90.1(3) . 3_575 ?
F1 P1 F1 90.1(3) 2_775 3_575 ?
F1 P1 F2 91.2(3) . 2_775 ?
F1 P1 F2 90.4(3) 2_775 2_775 ?
F1 P1 F2 178.5(3) 3_575 2_775 ?
F1 P1 F2 90.4(3) . . ?
F1 P1 F2 178.5(3) 2_775 . ?
F1 P1 F2 91.2(3) 3_575 . ?
F2 P1 F2 88.2(2) 2_775 . ?
F1 P1 F2 178.5(3) . 3_575 ?
F1 P1 F2 91.2(3) 2_775 3_575 ?
F1 P1 F2 90.4(3) 3_575 3_575 ?
F2 P1 F2 88.2(2) 2_775 3_575 ?
F2 P1 F2 88.2(2) . 3_575 ?
F4 P2 F4 91.1(6) . 3_465 ?
F4 P2 F4 91.1(6) . 2_675 ?
F4 P2 F4 91.1(6) 3_465 2_675 ?
F4 P2 F3 88.5(5) . 2_675 ?
F4 P2 F3 88.7(6) 3_465 2_675 ?
F4 P2 F3 179.5(6) 2_675 2_675 ?
F4 P2 F3 88.7(6) . 3_465 ?
F4 P2 F3 179.5(6) 3_465 3_465 ?
F4 P2 F3 88.5(5) 2_675 3_465 ?
F3 P2 F3 91.7(5) 2_675 3_465 ?
F4 P2 F3 179.5(6) . . ?
F4 P2 F3 88.5(5) 3_465 . ?
F4 P2 F3 88.7(6) 2_675 . ?
F3 P2 F3 91.7(5) 2_675 . ?
F3 P2 F3 91.7(5) 3_465 . ?
C6 N1 C5 109.8(5) . . ?
C6 N1 C4 112.5(5) . . ?
C5 N1 C4 110.9(5) . . ?
C6 N1 Cu1 105.2(3) . . ?
C5 N1 Cu1 102.0(3) . . ?
C4 N1 Cu1 115.9(3) . . ?
C12 N2 C11 111.2(5) . . ?
C12 N2 C10 113.8(5) . . ?
C11 N2 C10 115.7(5) . . ?
C12 N2 Cu2 100.7(4) . . ?
C11 N2 Cu2 103.0(6) . . ?
C10 N2 Cu2 110.7(7) . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 C1 108.3(6) . . ?
C2 C4 N1 110.1(5) . . ?
C1 C4 N1 108.4(5) . . ?
C2 C4 C3 108.2(5) . . ?
C1 C4 C3 110.4(6) . . ?
N1 C4 C3 111.4(5) . . ?
N1 C5 C6 111.8(5) . 3_575 ?
N1 C5 H5A 109.3 . . ?
C6 C5 H5A 109.3 3_575 . ?
N1 C5 H5B 109.3 . . ?
C6 C5 H5B 109.3 3_575 . ?
H5A C5 H5B 107.9 . . ?
N1 C6 C5 113.7(5) . 2_775 ?
N1 C6 H6A 108.8 . . ?
C5 C6 H6A 108.8 2_775 . ?
N1 C6 H6B 108.8 . . ?
C5 C6 H6B 108.8 2_775 . ?
H6A C6 H6B 107.7 . . ?
C10 C7 H7A 109.5 . . ?
C10 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C10 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C10 C8 H8A 109.5 . . ?
C10 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C10 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 C9 110.0(6) . . ?
C7 C10 C8 107.2(6) . . ?
C9 C10 C8 111.4(7) . . ?
C7 C10 N2 110.3(5) . . ?
C9 C10 N2 110.1(6) . . ?
C8 C10 N2 107.8(5) . . ?
N2 C11 C12 113.4(5) . 3_565 ?
N2 C11 H11A 108.9 . . ?
C12 C11 H11A 108.9 3_565 . ?
N2 C11 H11B 108.9 . . ?
C12 C11 H11B 108.9 3_565 . ?
H11A C11 H11B 107.7 . . ?
N2 C12 C11 112.1(5) . 2_665 ?
N2 C12 H12A 109.2 . . ?
C11 C12 H12A 109.2 2_665 . ?
N2 C12 H12B 109.2 . . ?
C11 C12 H12B 109.2 2_665 . ?
H12A C12 H12B 107.9 . . ?
C13 C13 C13 108.6(7) 6_666 5_456 ?
C13 C13 H13A 110.0 6_666 . ?
C13 C13 H13A 110.0 5_456 . ?
C13 C13 H13B 110.0 6_666 . ?
C13 C13 H13B 110.0 5_456 . ?
H13A C13 H13B 108.4 . . ?
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 N1 2.066(4) 2_775 ?
Cu1 N1 2.066(5) . ?
Cu1 N1 2.066(4) 3_575 ?
Cu1 Cl1 2.161(3) . ?
Cu2 N2 1.963(15) . ?
Cu2 N2 1.963(15) 3_565 ?
Cu2 N2 1.963(15) 2_665 ?
Cu2 Cl2 2.04(3) . ?
P1 F1 1.579(5) . ?
P1 F1 1.579(5) 2_775 ?
P1 F1 1.579(5) 3_575 ?
P1 F2 1.603(4) 2_775 ?
P1 F2 1.603(4) . ?
P1 F2 1.603(4) 3_575 ?
P2 F4 1.543(7) . ?
P2 F4 1.543(7) 3_465 ?
P2 F4 1.543(7) 2_675 ?
P2 F3 1.571(7) 2_675 ?
P2 F3 1.571(7) 3_465 ?
P2 F3 1.571(7) . ?
N1 C6 1.495(8) . ?
N1 C5 1.499(8) . ?
N1 C4 1.535(7) . ?
N2 C12 1.480(7) . ?
N2 C11 1.484(7) . ?
N2 C10 1.536(8) . ?
C1 C4 1.529(9) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C4 1.519(9) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.540(9) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C5 C6 1.518(9) 3_575 ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C5 1.518(9) 2_775 ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C10 1.506(9) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C10 1.521(10) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.513(11) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C11 C12 1.525(8) 3_565 ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C11 1.525(8) 2_665 ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C13 1.512(10) 6_666 ?
C13 C13 1.512(11) 5_456 ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
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
C6 N1 C4 C2 176.5(5) . . . . ?
C5 N1 C4 C2 -60.1(6) . . . . ?
Cu1 N1 C4 C2 55.5(6) . . . . ?
C6 N1 C4 C1 58.2(6) . . . . ?
C5 N1 C4 C1 -178.4(5) . . . . ?
Cu1 N1 C4 C1 -62.8(6) . . . . ?
C6 N1 C4 C3 -63.5(7) . . . . ?
C5 N1 C4 C3 59.9(6) . . . . ?
Cu1 N1 C4 C3 175.5(4) . . . . ?
C6 N1 C5 C6 -68.0(6) . . . 3_575 ?
C4 N1 C5 C6 167.1(5) . . . 3_575 ?
Cu1 N1 C5 C6 43.1(5) . . . 3_575 ?
C5 N1 C6 C5 132.0(5) . . . 2_775 ?
C4 N1 C6 C5 -104.1(6) . . . 2_775 ?
Cu1 N1 C6 C5 22.9(6) . . . 2_775 ?
C12 N2 C10 C7 -175.0(5) . . . . ?
C11 N2 C10 C7 -44.3(7) . . . . ?
Cu2 N2 C10 C7 72.4(6) . . . . ?
C12 N2 C10 C9 -53.5(7) . . . . ?
C11 N2 C10 C9 77.2(7) . . . . ?
Cu2 N2 C10 C9 -166.1(5) . . . . ?
C12 N2 C10 C8 68.3(7) . . . . ?
C11 N2 C10 C8 -161.0(6) . . . . ?
Cu2 N2 C10 C8 -44.3(7) . . . . ?
C12 N2 C11 C12 -131.1(5) . . . 3_565 ?
C10 N2 C11 C12 97.0(6) . . . 3_565 ?
Cu2 N2 C11 C12 -24.0(7) . . . 3_565 ?
C11 N2 C12 C11 69.2(6) . . . 2_665 ?
C10 N2 C12 C11 -157.9(5) . . . 2_665 ?
Cu2 N2 C12 C11 -39.4(8) . . . 2_665 ?
