#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:47:34 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257677 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/96/7059693.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_7059693
loop_
_publ_author_name
'Khan, Samim'
'Halder, Soumi'
'Dey, Arka'
'Dutta, Basudeb'
'Pratim Ray, Partha'
'Chattopadhyay, Shouvik'
_publ_section_title
;
 Synthesis of an electrically conductive square planar copper(ii) complex
 and its utilization in the fabrication of a photosensitive Schottky diode
 device and DFT study
;
_journal_issue                   27
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11622
_journal_page_last               11630
_journal_paper_doi               10.1039/D0NJ02162H
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C19 H23 Cu N3 O S'
_chemical_formula_weight         405.01
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-06-04 deposited with the CCDC.	2020-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.108(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.659(4)
_cell_length_b                   7.247(2)
_cell_length_c                   18.776(6)
_cell_measurement_reflns_used    897
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.91
_cell_measurement_theta_min      2.05
_cell_volume                     1916.3(10)
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_data_collection       'APEX3 (Bruker AXS Inc., 2015)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'DIAMOND (Crystal Impact)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'XT V2014/1 (Bruker AXS Inc., 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART APEX II diffractometer'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_unetI/netI     0.0435
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8292
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        24.911
_diffrn_reflns_theta_max         24.911
_diffrn_reflns_theta_min         2.798
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.260
_exptl_absorpt_correction_T_max  0.778
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.567
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         3312
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0407
_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)+(0.0533P)²+0.4171P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1045
_refine_ls_wR_factor_ref         0.1119
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2564
_reflns_number_total             3312
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj02162h2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7059693.cif.

 Adding full bibliography for 7059693.cif.
;
_cod_original_cell_volume        1916.4(10)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               7059693
_shelx_shelxl_version_number     2018/3
_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   0.787
_shelx_estimated_absorpt_t_max   0.787
loop_
_space_group_symop_operation_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_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
C5A C 0.1292(7) 0.0802(11) 0.3599(6) 0.113(4) Uani 0.568(12) 1 d . . P A 1
H5AA H 0.161085 -0.004332 0.335502 0.170 Uiso 0.568(12) 1 calc R U P A 1
H5AB H 0.161782 0.084181 0.411834 0.170 Uiso 0.568(12) 1 calc R U P A 1
H5AC H 0.065036 0.039981 0.353274 0.170 Uiso 0.568(12) 1 calc R U P A 1
C5 C 0.1753(9) 0.2037(16) 0.3072(6) 0.091(4) Uani 0.432(12) 1 d . . P A 2
H5A H 0.182848 0.082549 0.288933 0.136 Uiso 0.432(12) 1 calc R U P A 2
H5B H 0.170022 0.292357 0.268253 0.136 Uiso 0.432(12) 1 calc R U P A 2
H5C H 0.229526 0.232790 0.347852 0.136 Uiso 0.432(12) 1 calc R U P A 2
Cu1 Cu 0.07470(2) 0.62241(5) 0.28776(2) 0.04884(17) Uani 1 1 d . . . . .
S1 S 0.39786(7) 0.60995(14) 0.40238(7) 0.0779(3) Uani 1 1 d . . . . .
N2 N 0.0808(2) 0.4107(4) 0.36170(15) 0.0573(7) Uani 1 1 d . . . . .
O1 O 0.06596(14) 0.7805(4) 0.20678(12) 0.0640(7) Uani 1 1 d . . . . .
N3 N -0.06047(17) 0.5756(3) 0.25500(14) 0.0460(6) Uani 1 1 d . . . . .
N1 N 0.2107(2) 0.6649(5) 0.32260(18) 0.0701(9) Uani 1 1 d . . . . .
C1 C 0.2890(2) 0.6433(4) 0.35503(19) 0.0519(8) Uani 1 1 d . . . . .
C8 C -0.12467(19) 0.6580(4) 0.20193(16) 0.0391(7) Uani 1 1 d . . . . .
C19 C -0.0093(2) 0.8677(4) 0.16839(17) 0.0470(7) Uani 1 1 d . . . . .
C17 C -0.0650(2) 1.1111(4) 0.07741(19) 0.0567(9) Uani 1 1 d . . . . .
H17 H -0.052011 1.197934 0.045108 0.068 Uiso 1 1 calc R U . . .
C16 C -0.1594(2) 1.0892(4) 0.08113(16) 0.0408(7) Uani 1 1 d . . . . .
C10 C -0.10323(19) 0.8287(4) 0.16893(15) 0.0372(6) Uani 1 1 d . . . . .
C6 C -0.0177(2) 0.3885(5) 0.3649(2) 0.0629(9) Uani 1 1 d . . . . .
H6A H -0.032087 0.481921 0.397132 0.075 Uiso 1 1 calc R U . . .
H6B H -0.025212 0.268371 0.385349 0.075 Uiso 1 1 calc R U . . .
C11 C -0.17880(18) 0.9524(4) 0.12971(15) 0.0372(6) Uani 1 1 d . . . . .
C15 C -0.2334(2) 1.2009(4) 0.03905(16) 0.0486(7) Uani 1 1 d . . . . .
H15 H -0.220268 1.287380 0.006658 0.058 Uiso 1 1 calc R U . . .
C7 C -0.0860(3) 0.4060(4) 0.2881(2) 0.0683(10) Uani 1 1 d . . . . .
H7A H -0.080639 0.299742 0.258123 0.082 Uiso 1 1 calc R U . . .
H7B H -0.150842 0.413512 0.291238 0.082 Uiso 1 1 calc R U . . .
C9 C -0.2194(2) 0.5639(4) 0.16977(18) 0.0528(8) Uani 1 1 d . . . . .
H9A H -0.209368 0.434559 0.163819 0.079 Uiso 1 1 calc R U . . .
H9B H -0.250305 0.617206 0.122421 0.079 Uiso 1 1 calc R U . . .
H9C H -0.258507 0.580243 0.202678 0.079 Uiso 1 1 calc R U . . .
C12 C -0.2714(2) 0.9528(4) 0.13862(17) 0.0469(7) Uani 1 1 d . . . . .
H12 H -0.285089 0.876159 0.174027 0.056 Uiso 1 1 calc R U . . .
C18 C 0.0065(2) 1.0089(5) 0.11957(18) 0.0595(9) Uani 1 1 d . . . . .
H18 H 0.068002 1.030584 0.116990 0.071 Uiso 1 1 calc R U . . .
C14 C -0.3235(2) 1.1853(5) 0.04461(19) 0.0577(9) Uani 1 1 d . . . . .
H14 H -0.372345 1.254973 0.014354 0.069 Uiso 1 1 calc R U . . .
C13 C -0.3414(2) 1.0633(5) 0.09639(19) 0.0567(9) Uani 1 1 d . . . . .
H13 H -0.402155 1.056805 0.102403 0.068 Uiso 1 1 calc R U . . .
C2 C 0.1298(3) 0.6253(7) 0.4710(2) 0.0909(14) Uani 1 1 d . . . . .
H2A H 0.172035 0.635634 0.520059 0.136 Uiso 1 1 calc R U . . .
H2B H 0.143118 0.721914 0.440369 0.136 Uiso 1 1 calc R U . . .
H2C H 0.065338 0.635836 0.473155 0.136 Uiso 1 1 calc R U . . .
C3 C 0.1436(3) 0.4426(6) 0.4389(2) 0.0744(11) Uani 1 1 d . . . . .
H3A H 0.131643 0.346145 0.471041 0.089 Uiso 1 1 calc R U . . .
H3B H 0.209326 0.432115 0.438296 0.089 Uiso 1 1 calc R U . . .
C4B C 0.0923(11) 0.2088(18) 0.3316(9) 0.080(4) Uani 0.432(12) 1 d . . P A 2
H4BA H 0.096980 0.118828 0.370660 0.096 Uiso 0.432(12) 1 calc R U P A 2
H4BB H 0.037290 0.178581 0.290812 0.096 Uiso 0.432(12) 1 calc R U P A 2
C4A C 0.1290(7) 0.2703(13) 0.3269(7) 0.076(3) Uani 0.568(12) 1 d . . P A 1
H4AA H 0.194027 0.308833 0.332783 0.091 Uiso 0.568(12) 1 calc R U P A 1
H4AB H 0.097307 0.264645 0.274239 0.091 Uiso 0.568(12) 1 calc R U P A 1
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'
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'
S S 0.1246 0.1234 '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
C4A C5A H5AA 109.5 . . ?
C4A C5A H5AB 109.5 . . ?
H5AA C5A H5AB 109.5 . . ?
C4A C5A H5AC 109.5 . . ?
H5AA C5A H5AC 109.5 . . ?
H5AB C5A H5AC 109.5 . . ?
C4B C5 H5A 109.5 . . ?
C4B C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4B C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O1 Cu1 N3 90.90(9) . . ?
O1 Cu1 N1 90.51(11) . . ?
N3 Cu1 N1 178.59(11) . . ?
O1 Cu1 N2 169.20(11) . . ?
N3 Cu1 N2 86.13(11) . . ?
N1 Cu1 N2 92.47(12) . . ?
C6 N2 C4A 122.3(5) . . ?
C6 N2 C3 108.8(3) . . ?
C4A N2 C3 106.8(5) . . ?
C6 N2 C4B 96.7(6) . . ?
C3 N2 C4B 112.7(7) . . ?
C6 N2 Cu1 104.49(18) . . ?
C4A N2 Cu1 98.7(5) . . ?
C3 N2 Cu1 115.9(2) . . ?
C4B N2 Cu1 115.8(5) . . ?
C19 O1 Cu1 126.91(18) . . ?
C8 N3 C7 119.3(3) . . ?
C8 N3 Cu1 128.2(2) . . ?
C7 N3 Cu1 111.7(2) . . ?
C1 N1 Cu1 159.4(3) . . ?
N1 C1 S1 178.4(3) . . ?
N3 C8 C10 121.1(2) . . ?
N3 C8 C9 119.0(3) . . ?
C10 C8 C9 119.7(3) . . ?
O1 C19 C10 125.4(3) . . ?
O1 C19 C18 115.9(3) . . ?
C10 C19 C18 118.6(3) . . ?
C18 C17 C16 121.5(3) . . ?
C18 C17 H17 119.3 . . ?
C16 C17 H17 119.3 . . ?
C15 C16 C17 121.4(3) . . ?
C15 C16 C11 119.9(3) . . ?
C17 C16 C11 118.7(3) . . ?
C19 C10 C11 118.7(2) . . ?
C19 C10 C8 120.0(2) . . ?
C11 C10 C8 121.0(2) . . ?
N2 C6 C7 110.4(3) . . ?
N2 C6 H6A 109.6 . . ?
C7 C6 H6A 109.6 . . ?
N2 C6 H6B 109.6 . . ?
C7 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
C12 C11 C16 116.2(3) . . ?
C12 C11 C10 124.2(3) . . ?
C16 C11 C10 119.5(2) . . ?
C14 C15 C16 121.6(3) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
N3 C7 C6 107.1(3) . . ?
N3 C7 H7A 110.3 . . ?
C6 C7 H7A 110.3 . . ?
N3 C7 H7B 110.3 . . ?
C6 C7 H7B 110.3 . . ?
H7A C7 H7B 108.6 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C13 C12 C11 121.5(3) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C17 C18 C19 122.0(3) . . ?
C17 C18 H18 119.0 . . ?
C19 C18 H18 119.0 . . ?
C15 C14 C13 118.8(3) . . ?
C15 C14 H14 120.6 . . ?
C13 C14 H14 120.6 . . ?
C12 C13 C14 121.4(3) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C2 C3 N2 114.2(3) . . ?
C2 C3 H3A 108.7 . . ?
N2 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
N2 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C5 C4B N2 108.9(10) . . ?
C5 C4B H4BA 109.9 . . ?
N2 C4B H4BA 109.9 . . ?
C5 C4B H4BB 109.9 . . ?
N2 C4B H4BB 109.9 . . ?
H4BA C4B H4BB 108.3 . . ?
N2 C4A C5A 113.0(8) . . ?
N2 C4A H4AA 109.0 . . ?
C5A C4A H4AA 109.0 . . ?
N2 C4A H4AB 109.0 . . ?
C5A C4A H4AB 109.0 . . ?
H4AA C4A H4AB 107.8 . . ?
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
C5A C4A 1.510(13) . ?
C5A H5AA 0.9600 . ?
C5A H5AB 0.9600 . ?
C5A H5AC 0.9600 . ?
C5 C4B 1.415(17) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
Cu1 O1 1.880(2) . ?
Cu1 N3 1.935(2) . ?
Cu1 N1 1.943(3) . ?
Cu1 N2 2.055(3) . ?
S1 C1 1.615(4) . ?
N2 C6 1.470(4) . ?
N2 C4A 1.489(10) . ?
N2 C3 1.505(5) . ?
N2 C4B 1.594(14) . ?
O1 C19 1.302(3) . ?
N3 C8 1.309(4) . ?
N3 C7 1.472(4) . ?
N1 C1 1.151(4) . ?
C8 C10 1.456(4) . ?
C8 C9 1.514(4) . ?
C19 C10 1.408(4) . ?
C19 C18 1.435(4) . ?
C17 C18 1.346(4) . ?
C17 C16 1.414(4) . ?
C17 H17 0.9300 . ?
C16 C15 1.407(4) . ?
C16 C11 1.428(4) . ?
C10 C11 1.456(4) . ?
C6 C7 1.515(5) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C11 C12 1.413(4) . ?
C15 C14 1.358(4) . ?
C15 H15 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C12 C13 1.368(4) . ?
C12 H12 0.9300 . ?
C18 H18 0.9300 . ?
C14 C13 1.392(5) . ?
C14 H14 0.9300 . ?
C13 H13 0.9300 . ?
C2 C3 1.491(6) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4B H4BA 0.9700 . ?
C4B H4BB 0.9700 . ?
C4A H4AA 0.9700 . ?
C4A H4AB 0.9700 . ?
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
N3 Cu1 O1 C19 22.9(3) . . . . ?
N1 Cu1 O1 C19 -157.2(3) . . . . ?
N2 Cu1 O1 C19 96.7(6) . . . . ?
C7 N3 C8 C10 178.4(3) . . . . ?
Cu1 N3 C8 C10 -12.9(4) . . . . ?
C7 N3 C8 C9 -7.4(4) . . . . ?
Cu1 N3 C8 C9 161.3(2) . . . . ?
Cu1 O1 C19 C10 -15.4(5) . . . . ?
Cu1 O1 C19 C18 167.5(2) . . . . ?
C18 C17 C16 C15 177.6(3) . . . . ?
C18 C17 C16 C11 -1.4(5) . . . . ?
O1 C19 C10 C11 172.8(3) . . . . ?
C18 C19 C10 C11 -10.1(4) . . . . ?
O1 C19 C10 C8 -13.2(5) . . . . ?
C18 C19 C10 C8 163.9(3) . . . . ?
N3 C8 C10 C19 27.3(4) . . . . ?
C9 C8 C10 C19 -146.9(3) . . . . ?
N3 C8 C10 C11 -158.9(3) . . . . ?
C9 C8 C10 C11 27.0(4) . . . . ?
C4A N2 C6 C7 -69.5(6) . . . . ?
C3 N2 C6 C7 165.2(3) . . . . ?
C4B N2 C6 C7 -78.0(6) . . . . ?
Cu1 N2 C6 C7 40.8(3) . . . . ?
C15 C16 C11 C12 -7.1(4) . . . . ?
C17 C16 C11 C12 171.9(3) . . . . ?
C15 C16 C11 C10 175.6(3) . . . . ?
C17 C16 C11 C10 -5.4(4) . . . . ?
C19 C10 C11 C12 -165.9(3) . . . . ?
C8 C10 C11 C12 20.1(4) . . . . ?
C19 C10 C11 C16 11.2(4) . . . . ?
C8 C10 C11 C16 -162.7(3) . . . . ?
C17 C16 C15 C14 -177.4(3) . . . . ?
C11 C16 C15 C14 1.6(4) . . . . ?
C8 N3 C7 C6 -156.5(3) . . . . ?
Cu1 N3 C7 C6 33.0(4) . . . . ?
N2 C6 C7 N3 -49.8(4) . . . . ?
C16 C11 C12 C13 7.5(4) . . . . ?
C10 C11 C12 C13 -175.3(3) . . . . ?
C16 C17 C18 C19 2.5(5) . . . . ?
O1 C19 C18 C17 -179.2(3) . . . . ?
C10 C19 C18 C17 3.5(5) . . . . ?
C16 C15 C14 C13 3.8(5) . . . . ?
C11 C12 C13 C14 -2.4(5) . . . . ?
C15 C14 C13 C12 -3.5(5) . . . . ?
C6 N2 C3 C2 -69.9(4) . . . . ?
C4A N2 C3 C2 156.2(5) . . . . ?
C4B N2 C3 C2 -175.9(6) . . . . ?
Cu1 N2 C3 C2 47.4(4) . . . . ?
C6 N2 C4B C5 167.0(10) . . . . ?
C3 N2 C4B C5 -79.4(11) . . . . ?
Cu1 N2 C4B C5 57.3(13) . . . . ?
C6 N2 C4A C5A -56.1(10) . . . . ?
C3 N2 C4A C5A 70.1(8) . . . . ?
Cu1 N2 C4A C5A -169.4(7) . . . . ?
