#------------------------------------------------------------------------------
#$Date: 2023-05-05 04:28:26 +0300 (Fri, 05 May 2023) $
#$Revision: 283219 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/63/7246399.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_7246399
loop_
_publ_author_name
'Gil-García, Rubén'
'Madariaga, Gotzon'
'Jiménez-Pérez, Alondra'
'Herrán-Torres, Ignacio'
'Gago-González, Adrián'
'Ugalde, María'
'Januskaitis, Vaidas'
'Barrera-García, Joaquín'
'Insausti, Maite'
'S. Galletero, María'
'Borrás, Joaquín'
'Cuevas, José Vicente'
'Pedrido, Rosa'
'Gómez-Saiz, Patricia'
'Lezama, Luis'
'García-Tojal, Javier'
_publ_section_title
;
 Perchlorate-induced structural diversity in thiosemicarbazone copper(ii)
 complexes provides insights to understand the reactivity in acidic and
 basic media
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              2213
_journal_page_last               2226
_journal_paper_doi               10.1039/D3CE00119A
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C14 H16 Cl Cu2 N8 O5 S2, Cl O4, H2 O'
_chemical_formula_sum            'C14 H18 Cl2 Cu2 N8 O10 S2'
_chemical_formula_weight         720.46
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2020-11-05T17:47:51-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2022-11-04 deposited with the CCDC.	2023-03-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.35(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.172(4)
_cell_length_b                   11.583(5)
_cell_length_c                   29.439(5)
_cell_measurement_reflns_used    1043
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.81
_cell_measurement_theta_min      9.85
_cell_volume                     5151(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.92
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device_type  'STOE Stadivari'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_av_unetI/netI     0.048
_diffrn_reflns_Laue_measured_fraction_full 0.92
_diffrn_reflns_Laue_measured_fraction_max 0.903
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            11721
_diffrn_reflns_point_group_measured_fraction_full 0.92
_diffrn_reflns_point_group_measured_fraction_max 0.903
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25.785
_diffrn_reflns_theta_min         2.216
_exptl_absorpt_coefficient_mu    2.086
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.6473
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
        a grid of  8 x  8 x  8 =   512 sampling points was used
;
_exptl_crystal_density_diffrn    1.858
_exptl_crystal_description       'Irregular shape described by 17 faces'
_exptl_crystal_F_000             2896
_exptl_crystal_size_max          0.303
_exptl_crystal_size_mid          0.229
_exptl_crystal_size_min          0.153
_refine_diff_density_max         0.847
_refine_diff_density_min         -0.461
_refine_diff_density_rms         0.09
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         4472
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.938
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0646P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0955
_reflns_number_gt                3352
_reflns_number_total             4472
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ce00119a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7246399--7246403.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7246399
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Cu1 0.85860(3) 0.09084(4) 0.15247(2) 0.02583(13) Uani d 1 . . Cu
S1 0.74795(6) -0.02200(8) 0.12342(3) 0.0370(2) Uani d 1 . . S
N11 0.93708(18) 0.2230(3) 0.17261(9) 0.0264(6) Uani d 1 . . N
N12 0.77111(18) 0.2168(2) 0.14268(8) 0.0234(6) Uani d 1 . . N
N13 0.68466(18) 0.1977(2) 0.12596(9) 0.0252(6) Uani d 1 . . N
N14 0.5874(2) 0.0548(3) 0.10149(11) 0.0405(8) Uani d 1 . . N
H141 0.546165 0.105833 0.097953 0.061 Uiso calc 1 . . H
H142 0.575743 -0.016393 0.095244 0.061 Uiso calc 1 . . H
C11 1.0234(2) 0.2216(4) 0.18752(12) 0.0345(9) Uani d 1 . . C
H11 1.052848 0.151142 0.189966 0.052 Uiso calc 1 . . H
C12 1.0699(3) 0.3213(4) 0.19935(13) 0.0403(10) Uani d 1 . . C
H12 1.129754 0.31796 0.209412 0.06 Uiso calc 1 . . H
C13 1.0264(3) 0.4257(4) 0.19607(12) 0.0387(9) Uani d 1 . . C
H13 1.056424 0.493789 0.203989 0.058 Uiso calc 1 . . H
C14 0.9367(3) 0.4277(3) 0.18071(12) 0.0353(9) Uani d 1 . . C
H14 0.906105 0.497345 0.178127 0.053 Uiso calc 1 . . H
C15 0.8943(2) 0.3261(3) 0.16948(11) 0.0261(8) Uani d 1 . . C
C16 0.8002(2) 0.3176(3) 0.15330(11) 0.0280(8) Uani d 1 . . C
H16 0.763603 0.382128 0.150899 0.042 Uiso calc 1 . . H
C17 0.6691(2) 0.0860(3) 0.11660(11) 0.0269(8) Uani d 1 . . C
Cu2 0.59124(3) 0.32059(4) 0.12282(2) 0.02689(13) Uani d 1 . . Cu
S2 0.52408(7) 0.25822(9) 0.18295(3) 0.0365(2) Uani d 1 . . S
N21 0.63193(19) 0.4112(3) 0.07034(10) 0.0307(7) Uani d 1 . . N
N22 0.51224(19) 0.4551(3) 0.12560(9) 0.0262(6) Uani d 1 . . N
N23 0.94915(19) -0.0356(3) 0.15622(9) 0.0273(6) Uani d 1 . . N
N24 0.3888(2) 0.3636(3) 0.21225(12) 0.0507(10) Uani d 1 . . N
H241 0.350453 0.417934 0.213472 0.076 Uiso calc 1 . . H
H242 0.387371 0.304706 0.22996 0.076 Uiso calc 1 . . H
C21 0.6916(3) 0.3821(4) 0.04161(13) 0.0408(10) Uani d 1 . . C
H21 0.723858 0.314212 0.046565 0.061 Uiso calc 1 . . H
C22 0.7064(3) 0.4509(4) 0.00473(14) 0.0504(12) Uani d 1 . . C
H22 0.748479 0.429758 -0.014728 0.076 Uiso calc 1 . . H
C23 0.6595(4) 0.5488(5) -0.00293(15) 0.0620(14) Uani d 1 . . C
H23 0.668966 0.595284 -0.027768 0.093 Uiso calc 1 . . H
C24 0.5973(3) 0.5801(4) 0.02612(15) 0.0565(13) Uani d 1 . . C
H24 0.56453 0.647506 0.021227 0.085 Uiso calc 1 . . H
C25 0.5849(3) 0.5093(3) 0.06253(12) 0.0346(9) Uani d 1 . . C
C26 0.5186(3) 0.5313(3) 0.09450(12) 0.0365(9) Uani d 1 . . C
H26 0.483134 0.596921 0.092378 0.055 Uiso calc 1 . . H
C27 0.4494(2) 0.3705(3) 0.18334(11) 0.0294(8) Uani d 1 . . C
Cl1 0.93676(7) 0.34477(10) 0.04790(3) 0.0477(3) Uani d 1 . . Cl
O11 0.9031(2) 0.4480(3) 0.06568(13) 0.0730(11) Uani d 1 . . O
O12 1.0256(2) 0.3259(3) 0.06822(18) 0.0970(15) Uani d 1 . . O
O13 0.9305(4) 0.3490(4) 0.00044(13) 0.1165(18) Uani d 1 . . O
O14 0.8852(2) 0.2490(3) 0.06056(12) 0.0680(10) Uani d 1 . . O
Cl2 0.24449(7) 0.07257(9) 0.23430(3) 0.0418(3) Uani d 1 . . Cl
O21 0.1716(2) 0.1041(3) 0.25951(10) 0.0550(8) Uani d 1 . . O
O22 0.3209(3) 0.1376(4) 0.25033(19) 0.1100(17) Uani d 1 . . O
O23 0.2217(3) 0.0898(4) 0.18748(12) 0.1039(17) Uani d 1 . . O
O24 0.2650(2) -0.0463(3) 0.24210(12) 0.0657(9) Uani d 1 . . O
O1W 0.4657(2) 0.2377(3) 0.06918(11) 0.0669(10) Uani d 1 . . O
H11W 0.4126(11) 0.216(4) 0.0706(11) 0.1 Uiso d 1 . . H
H12W 0.4820(18) 0.214(4) 0.0439(7) 0.1 Uiso d 1 . . H
O2W 0.3023(4) 0.1843(6) 0.1020(3) 0.163(3) Uani d 1 . . O
H21W 0.316(3) 0.1136(12) 0.099(3) 0.245 Uiso d 1 . . H
H22W 0.2502(14) 0.187(3) 0.1104(18) 0.245 Uiso d 1 . . H
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 0 '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 0.006 '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
N12 Cu1 N11 81.43(12) . . ?
N12 Cu1 N23 174.65(11) . . ?
N11 Cu1 N23 99.06(12) . . ?
N12 Cu1 S1 84.57(9) . . ?
N11 Cu1 S1 165.69(9) . . ?
N23 Cu1 S1 94.60(10) . . ?
C17 S1 Cu1 96.21(13) . . ?
C11 N11 C15 118.6(3) . . ?
C11 N11 Cu1 128.7(3) . . ?
C15 N11 Cu1 112.7(2) . . ?
C16 N12 N13 122.0(3) . . ?
C16 N12 Cu1 115.3(2) . . ?
N13 N12 Cu1 122.6(2) . . ?
C17 N13 N12 111.9(3) . . ?
C17 N13 Cu2 124.5(2) . . ?
N12 N13 Cu2 123.3(2) . . ?
C17 N14 H141 120 . . ?
C17 N14 H142 120 . . ?
H141 N14 H142 120 . . ?
N11 C11 C12 122.1(4) . . ?
N11 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C13 C12 C11 119.1(4) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C12 C13 C14 119.0(4) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
C15 C14 C13 119.1(4) . . ?
C15 C14 H14 120.4 . . ?
C13 C14 H14 120.4 . . ?
N11 C15 C14 122.0(3) . . ?
N11 C15 C16 114.1(3) . . ?
C14 C15 C16 124.0(3) . . ?
N12 C16 C15 116.4(3) . . ?
N12 C16 H16 121.8 . . ?
C15 C16 H16 121.8 . . ?
N14 C17 N13 118.2(3) . . ?
N14 C17 S1 117.1(3) . . ?
N13 C17 S1 124.6(3) . . ?
N22 Cu2 N13 171.43(12) . . ?
N22 Cu2 N21 81.42(12) . . ?
N13 Cu2 N21 98.02(11) . . ?
N22 Cu2 S2 84.21(9) . . ?
N13 Cu2 S2 96.10(8) . . ?
N21 Cu2 S2 165.63(9) . . ?
C27 S2 Cu2 96.28(12) . . ?
C21 N21 C25 118.8(3) . . ?
C21 N21 Cu2 128.9(3) . . ?
C25 N21 Cu2 112.0(2) . . ?
C26 N22 N23 121.1(3) . 3_455 ?
C26 N22 Cu2 115.3(2) . . ?
N23 N22 Cu2 123.4(2) 3_455 . ?
C27 N23 N22 111.1(3) 3_545 3_545 ?
C27 N23 Cu1 125.9(2) 3_545 . ?
N22 N23 Cu1 122.3(2) 3_545 . ?
C27 N24 H241 120 . . ?
C27 N24 H242 120 . . ?
H241 N24 H242 120 . . ?
N21 C21 C22 121.3(4) . . ?
N21 C21 H21 119.4 . . ?
C22 C21 H21 119.4 . . ?
C23 C22 C21 119.7(4) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 119.9(4) . . ?
C22 C23 H23 120 . . ?
C24 C23 H23 120 . . ?
C25 C24 C23 118.5(4) . . ?
C25 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
N21 C25 C24 121.7(4) . . ?
N21 C25 C26 114.9(3) . . ?
C24 C25 C26 123.3(4) . . ?
N22 C26 C25 116.2(3) . . ?
N22 C26 H26 121.9 . . ?
C25 C26 H26 121.9 . . ?
N24 C27 N23 118.0(3) . 3_455 ?
N24 C27 S2 117.3(3) . . ?
N23 C27 S2 124.7(3) 3_455 . ?
O13 Cl1 O11 110.3(3) . . ?
O13 Cl1 O14 107.5(3) . . ?
O11 Cl1 O14 109.5(2) . . ?
O13 Cl1 O12 113.3(3) . . ?
O11 Cl1 O12 109.3(2) . . ?
O14 Cl1 O12 106.8(2) . . ?
O23 Cl2 O22 111.6(3) . . ?
O23 Cl2 O24 109.0(3) . . ?
O22 Cl2 O24 107.4(3) . . ?
O23 Cl2 O21 109.9(2) . . ?
O22 Cl2 O21 109.7(3) . . ?
O24 Cl2 O21 109.22(19) . . ?
H11W O1W H12W 107.72(18) . . ?
H21W O2W H22W 107.73(18) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 N12 . 1.975(3) ?
Cu1 N11 . 1.995(3) ?
Cu1 N23 . 2.004(3) ?
Cu1 S1 . 2.2338(12) ?
S1 C17 . 1.729(4) ?
N11 C11 . 1.342(4) ?
N11 C15 . 1.358(4) ?
N12 C16 . 1.277(4) ?
N12 N13 . 1.375(4) ?
N13 C17 . 1.339(4) ?
N13 Cu2 . 2.004(3) ?
N14 C17 . 1.327(5) ?
N14 H141 . 0.86 ?
N14 H142 . 0.86 ?
C11 C12 . 1.381(6) ?
C11 H11 . 0.93 ?
C12 C13 . 1.376(6) ?
C12 H12 . 0.93 ?
C13 C14 . 1.393(5) ?
C13 H13 . 0.93 ?
C14 C15 . 1.367(5) ?
C14 H14 . 0.93 ?
C15 C16 . 1.466(5) ?
C16 H16 . 0.93 ?
Cu2 N22 . 1.973(3) ?
Cu2 N21 . 2.012(3) ?
Cu2 S2 . 2.2427(11) ?
S2 C27 . 1.725(4) ?
N21 C21 . 1.339(4) ?
N21 C25 . 1.350(5) ?
N22 C26 . 1.282(5) ?
N22 N23 3_455 1.379(4) ?
N23 C27 3_545 1.349(5) ?
N24 C27 . 1.313(5) ?
N24 H241 . 0.86 ?
N24 H242 . 0.86 ?
C21 C22 . 1.382(6) ?
C21 H21 . 0.93 ?
C22 C23 . 1.346(6) ?
C22 H22 . 0.93 ?
C23 C24 . 1.379(6) ?
C23 H23 . 0.93 ?
C24 C25 . 1.377(5) ?
C24 H24 . 0.93 ?
C25 C26 . 1.463(5) ?
C26 H26 . 0.93 ?
Cl1 O13 . 1.393(4) ?
Cl1 O11 . 1.419(3) ?
Cl1 O14 . 1.427(4) ?
Cl1 O12 . 1.439(4) ?
Cl2 O23 . 1.404(4) ?
Cl2 O22 . 1.425(4) ?
Cl2 O24 . 1.426(3) ?
Cl2 O21 . 1.435(3) ?
O1W H11W . 0.8501(11) ?
O1W H12W . 0.8500(11) ?
O2W H21W . 0.8500(11) ?
O2W H22W . 0.8501(11) ?
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
O1W H11W O2W 0.8501(11) 2.018(14) 2.812(7) 155(3) . yes
O1W H12W O13 0.8500(11) 2.080(13) 2.880(6) 156(3) 7_655 yes
O2W H21W O11 0.8500(11) 2.58(3) 3.359(8) 153(5) 3_445 yes
O2W H22W O23 0.8501(11) 2.61(5) 3.098(8) 118(4) . yes
N14 H141 O1W 0.86 2.09 2.911(5) 161 . yes
N14 H142 O12 0.86 2.11 2.950(5) 167 3_445 yes
N24 H241 O21 0.86 2.33 3.071(5) 144 4 yes
N24 H241 O24 0.86 2.32 2.987(5) 135 4 yes
N24 H242 O22 0.86 2.29 3.064(6) 150 . yes
N24 H242 S2 0.86 2.83 3.463(4) 132 2_655 yes
C12 H12 O24 0.93 2.58 3.286(5) 134 4_655 yes
C21 H21 O14 0.93 2.56 3.317(5) 139 . yes
C24 H24 O12 0.93 2.59 3.328(6) 137 3_455 yes
C26 H26 O14 0.93 2.43 3.328(5) 161 3_455 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
C16 N12 N13 C17 179.2(3) . . . . ?
Cu1 N12 N13 C17 -1.3(3) . . . . ?
C16 N12 N13 Cu2 -7.1(4) . . . . ?
Cu1 N12 N13 Cu2 172.35(13) . . . . ?
C15 N11 C11 C12 -0.5(5) . . . . ?
Cu1 N11 C11 C12 178.4(3) . . . . ?
N11 C11 C12 C13 0.4(6) . . . . ?
C11 C12 C13 C14 -0.3(6) . . . . ?
C12 C13 C14 C15 0.2(5) . . . . ?
C11 N11 C15 C14 0.5(5) . . . . ?
Cu1 N11 C15 C14 -178.6(3) . . . . ?
C11 N11 C15 C16 -179.4(3) . . . . ?
Cu1 N11 C15 C16 1.5(3) . . . . ?
C13 C14 C15 N11 -0.4(5) . . . . ?
C13 C14 C15 C16 179.5(3) . . . . ?
N13 N12 C16 C15 -178.3(3) . . . . ?
Cu1 N12 C16 C15 2.2(4) . . . . ?
N11 C15 C16 N12 -2.5(4) . . . . ?
C14 C15 C16 N12 177.6(3) . . . . ?
N12 N13 C17 N14 178.0(3) . . . . ?
Cu2 N13 C17 N14 4.4(4) . . . . ?
N12 N13 C17 S1 -1.2(4) . . . . ?
Cu2 N13 C17 S1 -174.83(16) . . . . ?
Cu1 S1 C17 N14 -176.6(3) . . . . ?
Cu1 S1 C17 N13 2.6(3) . . . . ?
C25 N21 C21 C22 0.7(6) . . . . ?
Cu2 N21 C21 C22 174.4(3) . . . . ?
N21 C21 C22 C23 -0.6(7) . . . . ?
C21 C22 C23 C24 0.3(8) . . . . ?
C22 C23 C24 C25 0.0(8) . . . . ?
C21 N21 C25 C24 -0.5(6) . . . . ?
Cu2 N21 C25 C24 -175.2(4) . . . . ?
C21 N21 C25 C26 177.4(4) . . . . ?
Cu2 N21 C25 C26 2.7(4) . . . . ?
C23 C24 C25 N21 0.1(7) . . . . ?
C23 C24 C25 C26 -177.6(5) . . . . ?
N23 N22 C26 C25 -176.9(3) 3_455 . . . ?
Cu2 N22 C26 C25 -1.7(5) . . . . ?
N21 C25 C26 N22 -0.7(5) . . . . ?
C24 C25 C26 N22 177.1(4) . . . . ?
Cu2 S2 C27 N24 174.1(3) . . . . ?
Cu2 S2 C27 N23 -6.0(3) . . . 3_455 ?
