#------------------------------------------------------------------------------
#$Date: 2023-07-01 01:46:45 +0300 (Sat, 01 Jul 2023) $
#$Revision: 284729 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/33/7713323.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_7713323
loop_
_publ_author_name
'Singh, Karampal'
'Northcote-Smith, Joshua'
'Singh, Kuldip'
'Suntharalingam, Kogularamanan'
_publ_section_title
;
 Cancer stem cell activity of copper(II)-terpyridine complexes with aryl
 sulfonamide groups.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d3dt01294h
_journal_year                    2023
_chemical_formula_moiety         'C23 H20 Cl2 Cu N4 O3 S'
_chemical_formula_sum            'C23 H20 Cl2 Cu N4 O3 S'
_chemical_formula_weight         566.93
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-04-21 deposited with the CCDC.	2023-06-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.013(3)
_cell_length_b                   13.767(3)
_cell_length_c                   24.041(5)
_cell_measurement_reflns_used    826
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      23.345
_cell_measurement_theta_min      2.233
_cell_volume                     4637.9(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0890
_diffrn_reflns_av_unetI/netI     0.0610
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            34260
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.694
_exptl_absorpt_coefficient_mu    1.297
_exptl_absorpt_correction_T_max  0.850
_exptl_absorpt_correction_T_min  0.666
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
absoprtion correction based on 9908 reflections(SADABS);Rint 0.0758 before
correction and 0.0495 after.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_description       plate
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.552
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4558
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0468P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.0967
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3436
_reflns_number_total             4558
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01294h2.cif
_cod_data_source_block           22001
_cod_original_cell_volume        4638.0(18)
_cod_database_code               7713323
_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. 
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-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
Cu1 Cu 1.07932(3) 0.19159(3) 0.43661(2) 0.01823(12) Uani 1 1 d . . . . .
Cl1 Cl 1.16861(6) 0.20965(6) 0.35988(3) 0.0277(2) Uani 1 1 d . . . . .
Cl2 Cl 1.08981(5) 0.35189(6) 0.48068(3) 0.01977(18) Uani 1 1 d . . . . .
S1 S 0.61173(6) 0.06368(6) 0.74652(3) 0.0232(2) Uani 1 1 d . . . . .
O1 O 0.82666(14) 0.06751(16) 0.62570(8) 0.0216(5) Uani 1 1 d . . . . .
O2 O 0.55523(16) 0.15018(17) 0.74712(10) 0.0297(6) Uani 1 1 d . . . . .
O3 O 0.62402(16) 0.01065(18) 0.79731(9) 0.0299(6) Uani 1 1 d . . . . .
N1 N 0.94653(18) 0.20406(18) 0.40128(10) 0.0182(6) Uani 1 1 d . . . . .
N2 N 0.99863(18) 0.13552(18) 0.49478(10) 0.0160(6) Uani 1 1 d . . . . .
N3 N 1.17998(17) 0.13158(18) 0.48783(11) 0.0174(6) Uani 1 1 d . . . . .
N4 N 0.71709(18) 0.0941(2) 0.72434(11) 0.0219(6) Uani 1 1 d . . . . .
H4A H 0.711782 0.135779 0.697156 0.026 Uiso 1 1 d R U . . .
C1 C 0.9273(2) 0.2379(2) 0.35021(13) 0.0236(8) Uani 1 1 d . . . . .
H1 H 0.978725 0.257607 0.327032 0.028 Uiso 1 1 calc R U . . .
C2 C 0.8352(2) 0.2450(3) 0.33025(14) 0.0269(8) Uani 1 1 d . . . . .
H2 H 0.823372 0.269384 0.293922 0.032 Uiso 1 1 calc R U . . .
C3 C 0.7607(2) 0.2163(2) 0.36382(13) 0.0259(8) Uani 1 1 d . . . . .
H3 H 0.697014 0.219508 0.350443 0.031 Uiso 1 1 calc R U . . .
C4 C 0.7789(2) 0.1828(2) 0.41717(13) 0.0204(7) Uani 1 1 d . . . . .
H4 H 0.728249 0.164002 0.441126 0.024 Uiso 1 1 calc R U . . .
C5 C 0.8729(2) 0.1775(2) 0.43449(13) 0.0171(7) Uani 1 1 d . . . . .
C6 C 0.9031(2) 0.1427(2) 0.49029(13) 0.0174(7) Uani 1 1 d . . . . .
C7 C 0.8446(2) 0.1196(2) 0.53424(13) 0.0186(7) Uani 1 1 d . . . . .
H7 H 0.777250 0.124338 0.530890 0.022 Uiso 1 1 calc R U . . .
C8 C 0.8866(2) 0.0888(2) 0.58405(13) 0.0179(7) Uani 1 1 d . . . . .
C9 C 0.9859(2) 0.0805(2) 0.58774(13) 0.0177(7) Uani 1 1 d . . . . .
H9 H 1.015671 0.058797 0.621007 0.021 Uiso 1 1 calc R U . . .
C10 C 1.0395(2) 0.1050(2) 0.54153(13) 0.0163(7) Uani 1 1 d . . . . .
C11 C 1.1453(2) 0.1003(2) 0.53739(13) 0.0167(7) Uani 1 1 d . . . . .
C12 C 1.2034(2) 0.0659(2) 0.57876(13) 0.0207(7) Uani 1 1 d . . . . .
H12 H 1.177313 0.044377 0.613068 0.025 Uiso 1 1 calc R U . . .
C13 C 1.3011(2) 0.0632(2) 0.56967(14) 0.0228(7) Uani 1 1 d . . . . .
H13 H 1.342819 0.039630 0.597751 0.027 Uiso 1 1 calc R U . . .
C14 C 1.3372(2) 0.0949(2) 0.51955(14) 0.0234(8) Uani 1 1 d . . . . .
H14 H 1.403952 0.093985 0.512698 0.028 Uiso 1 1 calc R U . . .
C15 C 1.2746(2) 0.1282(2) 0.47942(14) 0.0226(7) Uani 1 1 d . . . . .
H15 H 1.299387 0.149436 0.444707 0.027 Uiso 1 1 calc R U . . .
C16 C 0.8662(2) 0.0427(3) 0.67939(13) 0.0245(8) Uani 1 1 d . . . . .
H16A H 0.899706 0.099371 0.695602 0.029 Uiso 1 1 calc R U . . .
H16B H 0.912349 -0.011346 0.675679 0.029 Uiso 1 1 calc R U . . .
C17 C 0.7843(2) 0.0130(2) 0.71583(13) 0.0239(8) Uani 1 1 d . . . . .
H17A H 0.750235 -0.042159 0.698453 0.029 Uiso 1 1 calc R U . . .
H17B H 0.809076 -0.008857 0.752299 0.029 Uiso 1 1 calc R U . . .
C18 C 0.5641(2) -0.0173(2) 0.69720(13) 0.0205(7) Uani 1 1 d . . . . .
C19 C 0.5565(2) 0.0137(2) 0.64212(13) 0.0208(7) Uani 1 1 d . . . . .
H19 H 0.574832 0.077605 0.631819 0.025 Uiso 1 1 calc R U . . .
C20 C 0.5218(2) -0.0505(2) 0.60285(14) 0.0225(8) Uani 1 1 d . . . . .
H20 H 0.515555 -0.030267 0.565253 0.027 Uiso 1 1 calc R U . . .
C21 C 0.4961(2) -0.1435(3) 0.61765(15) 0.0276(8) Uani 1 1 d . . . . .
H21 H 0.472874 -0.187273 0.590255 0.033 Uiso 1 1 calc R U . . .
C22 C 0.5042(3) -0.1733(3) 0.67244(16) 0.0394(10) Uani 1 1 d . . . . .
H22 H 0.486493 -0.237501 0.682507 0.047 Uiso 1 1 calc R U . . .
C23 C 0.5378(2) -0.1101(3) 0.71262(15) 0.0306(9) Uani 1 1 d . . . . .
H23 H 0.542787 -0.130329 0.750297 0.037 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 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'
S S 0.1246 0.1234 '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'
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 78.99(10) . . ?
N2 Cu1 N1 78.75(10) . . ?
N3 Cu1 N1 155.16(10) . . ?
N2 Cu1 Cl1 162.51(8) . . ?
N3 Cu1 Cl1 98.92(8) . . ?
N1 Cu1 Cl1 98.99(8) . . ?
N2 Cu1 Cl2 94.63(8) . . ?
N3 Cu1 Cl2 93.55(7) . . ?
N1 Cu1 Cl2 99.08(7) . . ?
Cl1 Cu1 Cl2 102.84(3) . . ?
O2 S1 O3 118.84(14) . . ?
O2 S1 N4 106.95(15) . . ?
O3 S1 N4 107.57(14) . . ?
O2 S1 C18 108.91(15) . . ?
O3 S1 C18 107.29(15) . . ?
N4 S1 C18 106.69(14) . . ?
C8 O1 C16 118.6(2) . . ?
C1 N1 C5 118.7(3) . . ?
C1 N1 Cu1 126.1(2) . . ?
C5 N1 Cu1 115.1(2) . . ?
C10 N2 C6 121.3(3) . . ?
C10 N2 Cu1 118.7(2) . . ?
C6 N2 Cu1 119.2(2) . . ?
C15 N3 C11 118.4(3) . . ?
C15 N3 Cu1 127.2(2) . . ?
C11 N3 Cu1 114.20(19) . . ?
C17 N4 S1 115.5(2) . . ?
C17 N4 H4A 116.6 . . ?
S1 N4 H4A 109.7 . . ?
N1 C1 C2 122.0(3) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
C3 C2 C1 119.0(3) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 119.9(3) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 118.1(3) . . ?
C5 C4 H4 121.0 . . ?
C3 C4 H4 121.0 . . ?
N1 C5 C4 122.3(3) . . ?
N1 C5 C6 113.7(3) . . ?
C4 C5 C6 124.1(3) . . ?
N2 C6 C7 120.9(3) . . ?
N2 C6 C5 112.3(3) . . ?
C7 C6 C5 126.8(3) . . ?
C6 C7 C8 118.5(3) . . ?
C6 C7 H7 120.8 . . ?
C8 C7 H7 120.8 . . ?
O1 C8 C9 124.0(3) . . ?
O1 C8 C7 116.2(3) . . ?
C9 C8 C7 119.8(3) . . ?
C10 C9 C8 118.0(3) . . ?
C10 C9 H9 121.0 . . ?
C8 C9 H9 121.0 . . ?
N2 C10 C9 121.5(3) . . ?
N2 C10 C11 112.7(3) . . ?
C9 C10 C11 125.8(3) . . ?
N3 C11 C12 122.3(3) . . ?
N3 C11 C10 113.7(3) . . ?
C12 C11 C10 124.0(3) . . ?
C11 C12 C13 118.8(3) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
C14 C13 C12 119.4(3) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 C15 118.9(3) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
N3 C15 C14 122.2(3) . . ?
N3 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
O1 C16 C17 107.0(2) . . ?
O1 C16 H16A 110.3 . . ?
C17 C16 H16A 110.3 . . ?
O1 C16 H16B 110.3 . . ?
C17 C16 H16B 110.3 . . ?
H16A C16 H16B 108.6 . . ?
N4 C17 C16 111.3(3) . . ?
N4 C17 H17A 109.4 . . ?
C16 C17 H17A 109.4 . . ?
N4 C17 H17B 109.4 . . ?
C16 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
C23 C18 C19 121.1(3) . . ?
C23 C18 S1 120.4(3) . . ?
C19 C18 S1 118.4(3) . . ?
C20 C19 C18 118.7(3) . . ?
C20 C19 H19 120.7 . . ?
C18 C19 H19 120.7 . . ?
C21 C20 C19 120.7(3) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C22 120.0(3) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 120.5(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C18 C23 C22 119.0(3) . . ?
C18 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
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 1.957(3) . ?
Cu1 N3 2.047(3) . ?
Cu1 N1 2.053(3) . ?
Cu1 Cl1 2.2428(9) . ?
Cu1 Cl2 2.4525(10) . ?
S1 O2 1.430(2) . ?
S1 O3 1.433(2) . ?
S1 N4 1.625(3) . ?
S1 C18 1.759(3) . ?
O1 C8 1.340(4) . ?
O1 C16 1.446(4) . ?
N1 C1 1.341(4) . ?
N1 C5 1.355(4) . ?
N2 C10 1.330(4) . ?
N2 C6 1.346(4) . ?
N3 C15 1.342(4) . ?
N3 C11 1.357(4) . ?
N4 C17 1.475(4) . ?
N4 H4A 0.8728 . ?
C1 C2 1.381(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.377(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.486(4) . ?
C6 C7 1.375(4) . ?
C7 C8 1.400(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.399(4) . ?
C9 C10 1.382(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.488(4) . ?
C11 C12 1.369(4) . ?
C12 C13 1.387(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.378(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.382(4) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.501(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C23 1.381(5) . ?
C18 C19 1.395(4) . ?
C19 C20 1.381(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.377(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(5) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C19 H19 Cl2 0.95 2.88 3.516(3) 125.2 4_456 yes
C17 H17A Cl1 0.99 2.93 3.626(4) 128.3 5_756 yes
C15 H15 Cl1 0.95 2.86 3.424(4) 118.7 . yes
C14 H14 Cl2 0.95 2.71 3.615(3) 158.6 4_556 yes
C12 H12 O3 0.95 2.33 3.270(4) 171.8 6_657 yes
C9 H9 O3 0.95 2.57 3.508(4) 169.7 6_657 yes
C7 H7 Cl2 0.95 2.66 3.610(3) 176.7 4_456 yes
C4 H4 Cl2 0.95 2.71 3.644(3) 167.8 4_456 yes
C1 H1 O2 0.95 2.44 3.326(4) 155.7 4_556 yes
C1 H1 Cl1 0.95 2.85 3.411(4) 118.6 . yes
N4 H4A Cl1 0.87 2.60 3.444(3) 162.1 4_456 yes
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
O2 S1 N4 C17 -174.7(2) . . . . ?
O3 S1 N4 C17 56.6(3) . . . . ?
C18 S1 N4 C17 -58.3(3) . . . . ?
C5 N1 C1 C2 -1.0(5) . . . . ?
Cu1 N1 C1 C2 -179.0(2) . . . . ?
N1 C1 C2 C3 -0.1(5) . . . . ?
C1 C2 C3 C4 1.3(5) . . . . ?
C2 C3 C4 C5 -1.3(5) . . . . ?
C1 N1 C5 C4 1.0(4) . . . . ?
Cu1 N1 C5 C4 179.2(2) . . . . ?
C1 N1 C5 C6 -179.1(3) . . . . ?
Cu1 N1 C5 C6 -0.9(3) . . . . ?
C3 C4 C5 N1 0.2(5) . . . . ?
C3 C4 C5 C6 -179.7(3) . . . . ?
C10 N2 C6 C7 0.6(5) . . . . ?
Cu1 N2 C6 C7 -168.8(2) . . . . ?
C10 N2 C6 C5 -179.6(3) . . . . ?
Cu1 N2 C6 C5 11.0(3) . . . . ?
N1 C5 C6 N2 -6.1(4) . . . . ?
C4 C5 C6 N2 173.8(3) . . . . ?
N1 C5 C6 C7 173.7(3) . . . . ?
C4 C5 C6 C7 -6.4(5) . . . . ?
N2 C6 C7 C8 0.4(5) . . . . ?
C5 C6 C7 C8 -179.4(3) . . . . ?
C16 O1 C8 C9 5.7(4) . . . . ?
C16 O1 C8 C7 -175.2(3) . . . . ?
C6 C7 C8 O1 179.7(3) . . . . ?
C6 C7 C8 C9 -1.2(5) . . . . ?
O1 C8 C9 C10 -180.0(3) . . . . ?
C7 C8 C9 C10 1.0(5) . . . . ?
C6 N2 C10 C9 -0.9(5) . . . . ?
Cu1 N2 C10 C9 168.6(2) . . . . ?
C6 N2 C10 C11 178.8(3) . . . . ?
Cu1 N2 C10 C11 -11.8(3) . . . . ?
C8 C9 C10 N2 0.0(5) . . . . ?
C8 C9 C10 C11 -179.5(3) . . . . ?
C15 N3 C11 C12 0.2(4) . . . . ?
Cu1 N3 C11 C12 -174.2(2) . . . . ?
C15 N3 C11 C10 -178.5(3) . . . . ?
Cu1 N3 C11 C10 7.1(3) . . . . ?
N2 C10 C11 N3 2.5(4) . . . . ?
C9 C10 C11 N3 -177.9(3) . . . . ?
N2 C10 C11 C12 -176.2(3) . . . . ?
C9 C10 C11 C12 3.4(5) . . . . ?
N3 C11 C12 C13 0.1(5) . . . . ?
C10 C11 C12 C13 178.7(3) . . . . ?
C11 C12 C13 C14 0.0(5) . . . . ?
C12 C13 C14 C15 -0.4(5) . . . . ?
C11 N3 C15 C14 -0.6(5) . . . . ?
Cu1 N3 C15 C14 173.0(2) . . . . ?
C13 C14 C15 N3 0.7(5) . . . . ?
C8 O1 C16 C17 -174.5(3) . . . . ?
S1 N4 C17 C16 162.2(2) . . . . ?
O1 C16 C17 N4 -62.9(3) . . . . ?
O2 S1 C18 C23 -124.0(3) . . . . ?
O3 S1 C18 C23 5.8(3) . . . . ?
N4 S1 C18 C23 120.9(3) . . . . ?
O2 S1 C18 C19 58.0(3) . . . . ?
O3 S1 C18 C19 -172.2(2) . . . . ?
N4 S1 C18 C19 -57.1(3) . . . . ?
C23 C18 C19 C20 0.1(5) . . . . ?
S1 C18 C19 C20 178.1(2) . . . . ?
C18 C19 C20 C21 -0.7(5) . . . . ?
C19 C20 C21 C22 0.6(5) . . . . ?
C20 C21 C22 C23 0.1(6) . . . . ?
C19 C18 C23 C22 0.5(5) . . . . ?
S1 C18 C23 C22 -177.4(3) . . . . ?
C21 C22 C23 C18 -0.6(6) . . . . ?
