#------------------------------------------------------------------------------
#$Date: 2025-07-06 19:52:23 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300945 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/87/7718706.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_7718706
loop_
_publ_author_name
'Das, Pranjal'
'Kuilya, Hemrupa'
'Basak, Swati'
'Hazarika, Baisali'
'Ray, Joydeep'
'Sarma, Debajit'
'Choudhury, Diganta'
'Kalita, Apurba'
_publ_section_title
;
 Enhancing electrocatalytic water oxidation: ligand complementarity in
 ternary Cu(II) complexes.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9418
_journal_page_last               9426
_journal_paper_doi               10.1039/d5dt00790a
_journal_volume                  54
_journal_year                    2025
_chemical_absolute_configuration syn
_chemical_compound_source        Synthesized
_chemical_formula_moiety         'C16 H21 Cu N5, 2(Cl O4)'
_chemical_formula_sum            'C16 H21 Cl2 Cu N5 O8'
_chemical_formula_weight         545.83
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-05-13 deposited with the CCDC.	2025-05-15 downloaded from the CCDC.
;
_cell_angle_alpha                98.260(7)
_cell_angle_beta                 106.413(7)
_cell_angle_gamma                91.759(8)
_cell_formula_units_Z            2
_cell_length_a                   8.135(2)
_cell_length_b                   10.258(3)
_cell_length_c                   13.835(4)
_cell_measurement_reflns_used    3340
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.138
_cell_measurement_theta_min      2.618
_cell_volume                     1092.9(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0709
_diffrn_reflns_av_unetI/netI     0.0477
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26330
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.138
_diffrn_reflns_theta_max         25.138
_diffrn_reflns_theta_min         2.618
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'metallic dark blue'
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_description       block
_exptl_crystal_F_000             558.0
_exptl_crystal_recrystallization_method 'Slow evaporation in methanol-water'
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.756
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         3900
_refine_ls_number_restraints     100
_refine_ls_restrained_S_all      1.155
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0409
_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)+(0.0316P)²+2.0872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0877
_refine_ls_wR_factor_ref         0.0972
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3098
_reflns_number_total             3900
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00790a2.cif
_cod_data_source_block           Complex2
_cod_depositor_comments
'Adding full bibliography for 7718704--7718711.cif.'
_cod_original_cell_volume        1092.9(6)
_cod_database_code               7718706
_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   0.881
_shelx_estimated_absorpt_t_max   0.926
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.75703(13) 0.29517(10) 0.10720(8) 0.0337(3) Uani 1 1 d D . . . .
Cu1 Cu 0.67545(5) 0.73973(4) 0.26637(3) 0.01733(13) Uani 1 1 d . . . . .
Cl2 Cl 0.8364(17) 1.0521(12) 0.6354(6) 0.0232(7) Uani 0.533(13) 1 d D . P A 1
O1 O 0.8508(9) 0.2835(8) 0.0334(5) 0.0628(19) Uani 0.605(6) 1 d D U P B 1
O2 O 0.6736(11) 0.1770(6) 0.1086(5) 0.064(2) Uani 0.605(6) 1 d D U P B 1
O4 O 0.6213(7) 0.3812(5) 0.0594(4) 0.0527(18) Uani 0.605(6) 1 d D U P B 1
O3 O 0.8439(4) 0.3712(3) 0.2038(2) 0.0465(9) Uani 1 1 d . . . . .
O5 O 0.7671(10) 1.0587(7) 0.5284(4) 0.042(3) Uani 0.533(13) 1 d D . P A 1
O6 O 1.0187(16) 1.040(5) 0.659(2) 0.032(3) Uani 0.533(13) 1 d D . P A 1
O7 O 0.7544(10) 0.9421(6) 0.6608(9) 0.051(3) Uani 0.533(13) 1 d D . P A 1
O8 O 0.804(6) 1.1741(15) 0.6910(18) 0.0322(12) Uani 0.533(13) 1 d D . P A 1
N3 N 0.8626(4) 0.6657(3) 0.2064(2) 0.0208(7) Uani 1 1 d . . . . .
N4 N 0.5870(4) 0.8052(3) 0.1321(2) 0.0220(7) Uani 1 1 d . . . . .
H4 H 0.507028 0.736182 0.083784 0.026 Uiso 1 1 calc R U . . .
N5 N 0.5898(4) 0.9078(3) 0.3249(2) 0.0254(7) Uani 1 1 d . . . . .
H5A H 0.487471 0.891004 0.333628 0.031 Uiso 1 1 calc R U . . .
H5B H 0.662736 0.942146 0.385040 0.031 Uiso 1 1 calc R U . . .
N2 N 0.7678(4) 0.6753(3) 0.4015(2) 0.0176(6) Uani 1 1 d . . . . .
N1 N 0.4925(4) 0.5699(3) 0.2462(2) 0.0190(7) Uani 1 1 d . . . . .
C1 C 0.3510(5) 0.5222(4) 0.1721(3) 0.0254(9) Uani 1 1 d . . . . .
H1 H 0.312109 0.569187 0.118295 0.030 Uiso 1 1 calc R U . . .
C2 C 0.2586(5) 0.4055(4) 0.1711(3) 0.0275(9) Uani 1 1 d . . . . .
H2 H 0.159437 0.376289 0.118170 0.033 Uiso 1 1 calc R U . . .
C3 C 0.3147(5) 0.3342(4) 0.2486(3) 0.0259(9) Uani 1 1 d . . . . .
H3 H 0.255072 0.255179 0.248280 0.031 Uiso 1 1 calc R U . . .
C4 C 0.4628(5) 0.3807(3) 0.3289(3) 0.0209(8) Uani 1 1 d . . . . .
C11 C 0.5464(4) 0.5007(3) 0.3242(2) 0.0167(7) Uani 1 1 d . . . . .
C12 C 0.6922(4) 0.5577(3) 0.4081(2) 0.0160(7) Uani 1 1 d . . . . .
C7 C 0.7464(4) 0.4959(4) 0.4943(3) 0.0201(8) Uani 1 1 d . . . . .
C6 C 0.6620(5) 0.3717(4) 0.4955(3) 0.0241(8) Uani 1 1 d . . . . .
H6 H 0.700738 0.328628 0.551562 0.029 Uiso 1 1 calc R U . . .
C5 C 0.5276(5) 0.3164(4) 0.4169(3) 0.0237(8) Uani 1 1 d . . . . .
H5 H 0.475664 0.235364 0.419381 0.028 Uiso 1 1 calc R U . . .
C8 C 0.8811(5) 0.5614(4) 0.5770(3) 0.0224(8) Uani 1 1 d . . . . .
H8 H 0.921425 0.523148 0.635478 0.027 Uiso 1 1 calc R U . . .
C9 C 0.9523(5) 0.6811(4) 0.5710(3) 0.0233(8) Uani 1 1 d . . . . .
H9 H 1.038750 0.726296 0.626062 0.028 Uiso 1 1 calc R U . . .
C10 C 0.8941(5) 0.7349(4) 0.4815(3) 0.0220(8) Uani 1 1 d . . . . .
H10 H 0.945189 0.815484 0.477478 0.026 Uiso 1 1 calc R U . . .
C16 C 0.5771(5) 1.0013(4) 0.2512(3) 0.0284(9) Uani 1 1 d . . . . .
H16A H 0.690496 1.038653 0.255661 0.034 Uiso 1 1 calc R U . . .
H16B H 0.507999 1.072730 0.265714 0.034 Uiso 1 1 calc R U . . .
C15 C 0.4940(5) 0.9240(4) 0.1458(3) 0.0281(9) Uani 1 1 d . . . . .
H15A H 0.374530 0.898820 0.138279 0.034 Uiso 1 1 calc R U . . .
H15B H 0.497854 0.978194 0.094444 0.034 Uiso 1 1 calc R U . . .
C14 C 0.7394(5) 0.8237(4) 0.0956(3) 0.0260(9) Uani 1 1 d . . . . .
H14A H 0.814834 0.897917 0.138125 0.031 Uiso 1 1 calc R U . . .
H14B H 0.704244 0.840965 0.025886 0.031 Uiso 1 1 calc R U . . .
C13 C 0.8311(5) 0.6981(4) 0.1016(3) 0.0276(9) Uani 1 1 d . . . . .
H13A H 0.761227 0.626490 0.052052 0.033 Uiso 1 1 calc R U . . .
H13B H 0.939346 0.709818 0.086313 0.033 Uiso 1 1 calc R U . . .
O1A O 0.8542(13) 0.1752(7) 0.1239(7) 0.070(3) Uani 0.395(6) 1 d D U P B 2
O2A O 0.5897(10) 0.2448(12) 0.1023(8) 0.059(3) Uani 0.395(6) 1 d D U P B 2
O4A O 0.7990(16) 0.3473(12) 0.0284(7) 0.0628(19) Uani 0.395(6) 1 d D U P B 2
O5A O 0.7125(9) 0.9816(11) 0.5609(6) 0.054(4) Uani 0.467(13) 1 d D . P A 2
O7A O 0.8375(15) 0.9650(8) 0.7329(9) 0.054(3) Uani 0.467(13) 1 d D . P A 2
Cl2A Cl 0.838(2) 1.0404(14) 0.6536(6) 0.0232(7) Uani 0.467(13) 1 d D . P A 2
O6A O 1.005(2) 1.044(5) 0.638(2) 0.032(3) Uani 0.467(13) 1 d D . P A 2
O8A O 0.796(7) 1.1726(17) 0.685(2) 0.0322(12) Uani 0.467(13) 1 d D . P A 2
H3A H 0.959(5) 0.707(4) 0.246(3) 0.020(10) Uiso 1 1 d . . . . .
H3B H 0.866(5) 0.585(4) 0.204(3) 0.031(12) 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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
O4A Cl1 O2A 124.6(7) . . ?
O2 Cl1 O3 116.4(3) . . ?
O4A Cl1 O3 110.9(5) . . ?
O2A Cl1 O3 112.6(4) . . ?
O2 Cl1 O1 112.2(5) . . ?
O3 Cl1 O1 115.6(3) . . ?
O4A Cl1 O1A 107.5(7) . . ?
O2A Cl1 O1A 100.5(7) . . ?
O3 Cl1 O1A 95.9(4) . . ?
O2 Cl1 O4 106.7(4) . . ?
O3 Cl1 O4 104.0(2) . . ?
O1 Cl1 O4 99.5(4) . . ?
N4 Cu1 N2 179.16(12) . . ?
N4 Cu1 N5 84.54(12) . . ?
N2 Cu1 N5 95.52(12) . . ?
N4 Cu1 N3 84.49(12) . . ?
N2 Cu1 N3 95.00(12) . . ?
N5 Cu1 N3 144.03(14) . . ?
N4 Cu1 N1 101.30(11) . . ?
N2 Cu1 N1 79.47(11) . . ?
N5 Cu1 N1 111.08(12) . . ?
N3 Cu1 N1 104.63(13) . . ?
O7 Cl2 O6 110.2(12) . . ?
O7 Cl2 O5 110.0(6) . . ?
O6 Cl2 O5 109.7(9) . . ?
O7 Cl2 O8 110.1(13) . . ?
O6 Cl2 O8 109.6(13) . . ?
O5 Cl2 O8 107.1(11) . . ?
C13 N3 Cu1 108.9(2) . . ?
C13 N3 H3A 109(2) . . ?
Cu1 N3 H3A 106(2) . . ?
C13 N3 H3B 109(3) . . ?
Cu1 N3 H3B 113(3) . . ?
H3A N3 H3B 111(4) . . ?
C15 N4 C14 115.4(3) . . ?
C15 N4 Cu1 109.7(2) . . ?
C14 N4 Cu1 105.5(2) . . ?
C15 N4 H4 108.7 . . ?
C14 N4 H4 108.7 . . ?
Cu1 N4 H4 108.7 . . ?
C16 N5 Cu1 107.2(2) . . ?
C16 N5 H5A 110.3 . . ?
Cu1 N5 H5A 110.3 . . ?
C16 N5 H5B 110.3 . . ?
Cu1 N5 H5B 110.3 . . ?
H5A N5 H5B 108.5 . . ?
C10 N2 C12 118.5(3) . . ?
C10 N2 Cu1 126.6(2) . . ?
C12 N2 Cu1 114.9(2) . . ?
C1 N1 C11 117.6(3) . . ?
C1 N1 Cu1 132.5(2) . . ?
C11 N1 Cu1 109.8(2) . . ?
N1 C1 C2 123.1(4) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C3 C2 C1 119.4(4) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 119.6(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C11 117.0(3) . . ?
C3 C4 C5 123.9(3) . . ?
C11 C4 C5 119.0(3) . . ?
N1 C11 C4 123.2(3) . . ?
N1 C11 C12 117.4(3) . . ?
C4 C11 C12 119.3(3) . . ?
N2 C12 C7 122.3(3) . . ?
N2 C12 C11 117.6(3) . . ?
C7 C12 C11 120.1(3) . . ?
C12 C7 C8 117.5(3) . . ?
C12 C7 C6 119.2(3) . . ?
C8 C7 C6 123.3(3) . . ?
C5 C6 C7 121.1(3) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 H6 119.4 . . ?
C6 C5 C4 121.1(3) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C9 C8 C7 119.8(3) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C10 119.3(3) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
N2 C10 C9 122.6(3) . . ?
N2 C10 H10 118.7 . . ?
C9 C10 H10 118.7 . . ?
N5 C16 C15 107.2(3) . . ?
N5 C16 H16A 110.3 . . ?
C15 C16 H16A 110.3 . . ?
N5 C16 H16B 110.3 . . ?
C15 C16 H16B 110.3 . . ?
H16A C16 H16B 108.5 . . ?
N4 C15 C16 108.9(3) . . ?
N4 C15 H15A 109.9 . . ?
C16 C15 H15A 109.9 . . ?
N4 C15 H15B 109.9 . . ?
C16 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
N4 C14 C13 107.3(3) . . ?
N4 C14 H14A 110.3 . . ?
C13 C14 H14A 110.3 . . ?
N4 C14 H14B 110.3 . . ?
C13 C14 H14B 110.3 . . ?
H14A C14 H14B 108.5 . . ?
N3 C13 C14 108.6(3) . . ?
N3 C13 H13A 110.0 . . ?
C14 C13 H13A 110.0 . . ?
N3 C13 H13B 110.0 . . ?
C14 C13 H13B 110.0 . . ?
H13A C13 H13B 108.4 . . ?
O7A Cl2A O5A 109.8(8) . . ?
O7A Cl2A O6A 109.6(11) . . ?
O5A Cl2A O6A 109.7(13) . . ?
O7A Cl2A O8A 108.1(13) . . ?
O5A Cl2A O8A 109.8(14) . . ?
O6A Cl2A O8A 109.8(15) . . ?
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
Cl1 O2 1.376(5) . ?
Cl1 O4A 1.399(6) . ?
Cl1 O2A 1.421(6) . ?
Cl1 O3 1.424(3) . ?
Cl1 O1 1.432(5) . ?
Cl1 O1A 1.494(6) . ?
Cl1 O4 1.500(4) . ?
Cu1 N4 2.013(3) . ?
Cu1 N2 2.022(3) . ?
Cu1 N5 2.026(3) . ?
Cu1 N3 2.046(3) . ?
Cu1 N1 2.190(3) . ?
Cl2 O7 1.430(6) . ?
Cl2 O6 1.438(6) . ?
Cl2 O5 1.439(5) . ?
Cl2 O8 1.445(6) . ?
N3 C13 1.488(5) . ?
N3 H3A 0.87(4) . ?
N3 H3B 0.83(4) . ?
N4 C15 1.472(5) . ?
N4 C14 1.481(5) . ?
N4 H4 0.9800 . ?
N5 C16 1.482(5) . ?
N5 H5A 0.8900 . ?
N5 H5B 0.8900 . ?
N2 C10 1.334(4) . ?
N2 C12 1.363(4) . ?
N1 C1 1.330(4) . ?
N1 C11 1.354(4) . ?
C1 C2 1.391(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.365(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.403(5) . ?
C3 H3 0.9300 . ?
C4 C11 1.406(5) . ?
C4 C5 1.444(5) . ?
C11 C12 1.442(5) . ?
C12 C7 1.399(5) . ?
C7 C8 1.410(5) . ?
C7 C6 1.432(5) . ?
C6 C5 1.346(5) . ?
C6 H6 0.9300 . ?
C5 H5 0.9300 . ?
C8 C9 1.365(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.394(5) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C16 C15 1.513(5) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C14 C13 1.509(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
O5A Cl2A 1.431(6) . ?
O7A Cl2A 1.431(6) . ?
Cl2A O6A 1.438(7) . ?
Cl2A O8A 1.444(6) . ?
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
C11 N1 C1 C2 -0.5(5) . . . . ?
Cu1 N1 C1 C2 175.3(3) . . . . ?
N1 C1 C2 C3 -0.8(6) . . . . ?
C1 C2 C3 C4 1.1(6) . . . . ?
C2 C3 C4 C11 -0.1(5) . . . . ?
C2 C3 C4 C5 176.6(3) . . . . ?
C1 N1 C11 C4 1.6(5) . . . . ?
Cu1 N1 C11 C4 -175.1(3) . . . . ?
C1 N1 C11 C12 -175.4(3) . . . . ?
Cu1 N1 C11 C12 7.8(4) . . . . ?
C3 C4 C11 N1 -1.3(5) . . . . ?
C5 C4 C11 N1 -178.2(3) . . . . ?
C3 C4 C11 C12 175.7(3) . . . . ?
C5 C4 C11 C12 -1.2(5) . . . . ?
C10 N2 C12 C7 -2.2(5) . . . . ?
Cu1 N2 C12 C7 176.8(3) . . . . ?
C10 N2 C12 C11 174.8(3) . . . . ?
Cu1 N2 C12 C11 -6.2(4) . . . . ?
N1 C11 C12 N2 -1.7(4) . . . . ?
C4 C11 C12 N2 -178.9(3) . . . . ?
N1 C11 C12 C7 175.4(3) . . . . ?
C4 C11 C12 C7 -1.8(5) . . . . ?
N2 C12 C7 C8 1.7(5) . . . . ?
C11 C12 C7 C8 -175.3(3) . . . . ?
N2 C12 C7 C6 -179.4(3) . . . . ?
C11 C12 C7 C6 3.7(5) . . . . ?
C12 C7 C6 C5 -2.6(5) . . . . ?
C8 C7 C6 C5 176.3(3) . . . . ?
C7 C6 C5 C4 -0.5(5) . . . . ?
C3 C4 C5 C6 -174.3(3) . . . . ?
C11 C4 C5 C6 2.4(5) . . . . ?
C12 C7 C8 C9 0.5(5) . . . . ?
C6 C7 C8 C9 -178.4(3) . . . . ?
C7 C8 C9 C10 -2.1(5) . . . . ?
C12 N2 C10 C9 0.6(5) . . . . ?
Cu1 N2 C10 C9 -178.3(3) . . . . ?
C8 C9 C10 N2 1.6(5) . . . . ?
Cu1 N5 C16 C15 44.3(3) . . . . ?
C14 N4 C15 C16 -85.9(4) . . . . ?
Cu1 N4 C15 C16 33.1(4) . . . . ?
N5 C16 C15 N4 -51.5(4) . . . . ?
C15 N4 C14 C13 171.7(3) . . . . ?
Cu1 N4 C14 C13 50.4(3) . . . . ?
Cu1 N3 C13 C14 28.4(4) . . . . ?
N4 C14 C13 N3 -52.7(4) . . . . ?
