#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:56:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179136 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/98/4309824.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_4309824
loop_
_publ_author_name
'Lei Hou'
'Dan Li'
'Wen-Juan Shi'
'Ye-Gao Yin'
'Seik Weng Ng'
_publ_section_title
;
Ligand-Controlled Mixed-Valence Copper Rectangular Grid-Type Coordination
Polymers Based on Pyridylterpyridine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7825
_journal_page_last               7832
_journal_paper_doi               10.1021/ic050558d
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C23 H14 Cu2 N7 S3'
_chemical_formula_weight         611.67
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.5430(10)
_cell_angle_beta                 96.8540(10)
_cell_angle_gamma                93.9090(10)
_cell_formula_units_Z            2
_cell_length_a                   7.2969(6)
_cell_length_b                   13.2198(10)
_cell_length_c                   13.2833(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1174.59(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10202
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    2.106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             614
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.471
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5230
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0674P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1247
_reflns_number_gt                4201
_reflns_number_total             5230
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050558dsi20050702_025750.cif
_cod_data_source_block           complex6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4309824
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu2 Cu 0.34192(6) 0.58570(3) 0.29943(3) 0.03666(13) Uani 1 1 d . . .
Cu1 Cu 0.51718(6) 0.14009(3) 0.20508(4) 0.04819(15) Uani 1 1 d . . .
S1 S 0.67188(12) 0.51447(7) 0.27672(7) 0.0413(2) Uani 1 1 d . . .
S3 S 0.5314(2) 0.10709(8) 0.37384(8) 0.0766(4) Uani 1 1 d . . .
S2 S 0.22010(12) 0.06711(8) 0.09785(7) 0.0474(2) Uani 1 1 d . . .
N1 N 0.3970(4) 0.6785(2) 0.2093(2) 0.0354(6) Uani 1 1 d . . .
N3 N 0.2156(4) 0.4638(2) 0.3361(2) 0.0377(6) Uani 1 1 d . . .
C5 C 0.3485(4) 0.6238(2) 0.0999(2) 0.0329(6) Uani 1 1 d . . .
N6 N 0.5606(4) 0.2984(2) 0.2471(3) 0.0531(8) Uani 1 1 d . . .
N2 N 0.2295(3) 0.4860(2) 0.15479(19) 0.0312(5) Uani 1 1 d . . .
N5 N 0.3969(5) 0.6980(2) 0.4442(2) 0.0513(8) Uani 1 1 d . . .
C3 C 0.4679(5) 0.7781(3) 0.0652(3) 0.0440(8) Uani 1 1 d . . .
H3 H 0.4919 0.8117 0.0169 0.053 Uiso 1 1 calc R . .
C11 C 0.1260(4) 0.3776(3) 0.2474(2) 0.0335(7) Uani 1 1 d . . .
C10 C 0.1422(4) 0.3885(2) 0.1424(2) 0.0315(6) Uani 1 1 d . . .
C1 C 0.4794(5) 0.7822(2) 0.2459(3) 0.0395(7) Uani 1 1 d . . .
H1 H 0.5122 0.8205 0.3210 0.047 Uiso 1 1 calc R . .
C4 C 0.3825(4) 0.6713(3) 0.0262(3) 0.0372(7) Uani 1 1 d . . .
H4 H 0.3485 0.6322 -0.0487 0.045 Uiso 1 1 calc R . .
C6 C 0.2547(4) 0.5116(2) 0.0676(2) 0.0301(6) Uani 1 1 d . . .
C2 C 0.5170(5) 0.8339(3) 0.1765(3) 0.0450(8) Uani 1 1 d . . .
H2 H 0.5749 0.9056 0.2043 0.054 Uiso 1 1 calc R . .
C9 C 0.0806(4) 0.3100(2) 0.0395(2) 0.0343(7) Uani 1 1 d . . .
H9 H 0.0213 0.2423 0.0315 0.041 Uiso 1 1 calc R . .
C7 C 0.1943(4) 0.4359(2) -0.0370(2) 0.0322(6) Uani 1 1 d . . .
H7 H 0.2113 0.4538 -0.0971 0.039 Uiso 1 1 calc R . .
C8 C 0.1078(4) 0.3329(2) -0.0530(2) 0.0315(6) Uani 1 1 d . . .
C12 C 0.0283(4) 0.2889(3) 0.2563(3) 0.0396(7) Uani 1 1 d . . .
H12 H -0.0345 0.2318 0.1943 0.048 Uiso 1 1 calc R . .
C15 C 0.2133(6) 0.4600(3) 0.4345(3) 0.0536(10) Uani 1 1 d . . .
H15 H 0.2761 0.5179 0.4958 0.064 Uiso 1 1 calc R . .
C13 C 0.0260(6) 0.2870(3) 0.3590(3) 0.0558(10) Uani 1 1 d . . .
H13 H -0.0388 0.2285 0.3678 0.067 Uiso 1 1 calc R . .
C14 C 0.1207(6) 0.3729(4) 0.4483(3) 0.0673(12) Uani 1 1 d . . .
H14 H 0.1224 0.3722 0.5182 0.081 Uiso 1 1 calc R . .
N4 N 0.0449(4) 0.2879(2) -0.2460(2) 0.0475(7) Uani 1 1 d . . .
C16 C 0.0454(4) 0.2501(2) -0.1655(2) 0.0341(7) Uani 1 1 d . . .
C20 C -0.0075(5) 0.1411(3) -0.1851(3) 0.0484(9) Uani 1 1 d . . .
H20 H -0.0026 0.1167 -0.1276 0.058 Uiso 1 1 calc R . .
C19 C -0.0679(6) 0.0692(3) -0.2921(3) 0.0625(11) Uani 1 1 d . . .
H19 H -0.1065 -0.0041 -0.3076 0.075 Uiso 1 1 calc R . .
C18 C -0.0700(6) 0.1077(3) -0.3742(3) 0.0599(11) Uani 1 1 d . . .
H18 H -0.1103 0.0614 -0.4468 0.072 Uiso 1 1 calc R . .
C17 C -0.0113(6) 0.2161(3) -0.3474(3) 0.0579(10) Uani 1 1 d . . .
H17 H -0.0106 0.2412 -0.4042 0.069 Uiso 1 1 calc R . .
C22 C 0.6055(4) 0.3877(3) 0.2608(3) 0.0372(7) Uani 1 1 d . . .
N7 N 0.6870(4) 0.0567(2) 0.1069(2) 0.0451(7) Uani 1 1 d . . .
C23 C 0.7250(4) 0.0065(2) 0.0223(3) 0.0352(7) Uani 1 1 d . . .
C21 C 0.4277(5) 0.7778(3) 0.5208(3) 0.0432(8) Uani 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'
N N 0.0061 0.0033 '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'
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
N5 Cu2 N2 166.23(12) . . ?
N5 Cu2 N3 99.21(12) . . ?
N2 Cu2 N3 79.65(10) . . yes
N5 Cu2 N1 99.33(12) . . ?
N2 Cu2 N1 79.55(10) . . yes
N3 Cu2 N1 158.08(11) . . yes
N5 Cu2 S1 100.60(10) . . yes
N2 Cu2 S1 93.12(8) . . ?
N3 Cu2 S1 98.78(8) . . ?
N1 Cu2 S1 89.18(8) . . ?
N6 Cu1 N7 114.34(13) . . yes
N6 Cu1 S2 111.30(10) . . ?
N7 Cu1 S2 102.35(9) . . ?
N6 Cu1 S3 106.69(10) . . ?
N7 Cu1 S3 112.98(10) . . ?
S2 Cu1 S3 109.16(5) . . yes
C22 S1 Cu2 96.65(12) . . ?
C21 S3 Cu1 110.42(13) 2_666 . ?
C23 S2 Cu1 101.91(11) 2_655 . ?
C1 N1 C5 118.3(3) . . ?
C1 N1 Cu2 128.0(2) . . ?
C5 N1 Cu2 113.6(2) . . ?
C15 N3 C11 118.1(3) . . ?
C15 N3 Cu2 127.6(2) . . ?
C11 N3 Cu2 114.2(2) . . ?
N1 C5 C4 121.9(3) . . ?
N1 C5 C6 114.5(3) . . ?
C4 C5 C6 123.6(3) . . ?
C22 N6 Cu1 169.4(3) . . ?
C10 N2 C6 121.4(3) . . ?
C10 N2 Cu2 119.1(2) . . ?
C6 N2 Cu2 119.2(2) . . ?
C21 N5 Cu2 167.7(3) . . ?
C2 C3 C4 119.1(3) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
N3 C11 C12 122.5(3) . . ?
N3 C11 C10 113.7(3) . . ?
C12 C11 C10 123.8(3) . . ?
N2 C10 C9 120.7(3) . . ?
N2 C10 C11 112.9(3) . . ?
C9 C10 C11 126.3(3) . . ?
N1 C1 C2 122.5(3) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C5 C4 C3 119.1(3) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N2 C6 C7 120.0(3) . . ?
N2 C6 C5 112.4(2) . . ?
C7 C6 C5 127.6(3) . . ?
C1 C2 C3 119.2(3) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C10 C9 C8 119.4(3) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C6 C7 C8 120.1(3) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C7 C8 C9 118.3(3) . . ?
C7 C8 C16 120.5(3) . . ?
C9 C8 C16 121.2(3) . . ?
C13 C12 C11 118.5(3) . . ?
C13 C12 H12 120.8 . . ?
C11 C12 H12 120.8 . . ?
N3 C15 C14 121.9(3) . . ?
N3 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
C14 C13 C12 118.9(3) . . ?
C14 C13 H13 120.6 . . ?
C12 C13 H13 120.6 . . ?
C13 C14 C15 120.0(3) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C17 N4 C16 116.9(3) . . ?
N4 C16 C20 122.5(3) . . ?
N4 C16 C8 115.5(3) . . ?
C20 C16 C8 122.1(3) . . ?
C16 C20 C19 118.7(4) . . ?
C16 C20 H20 120.7 . . ?
C19 C20 H20 120.7 . . ?
C18 C19 C20 118.9(4) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 H19 120.5 . . ?
C19 C18 C17 118.4(3) . . ?
C19 C18 H18 120.8 . . ?
C17 C18 H18 120.8 . . ?
N4 C17 C18 124.6(4) . . ?
N4 C17 H17 117.7 . . ?
C18 C17 H17 117.7 . . ?
N6 C22 S1 178.2(3) . . ?
C23 N7 Cu1 153.4(3) . . ?
N7 C23 S2 178.9(3) . 2_655 ?
N5 C21 S3 177.8(3) . 2_666 ?
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
Cu2 N5 1.924(3) . yes
Cu2 N2 1.928(2) . yes
Cu2 N3 2.041(3) . yes
Cu2 N1 2.056(3) . yes
Cu2 S1 2.655(1) . yes
Cu1 N6 1.949(3) . yes
Cu1 N7 1.992(3) . yes
Cu1 S2 2.372(1) . yes
Cu1 S3 2.428(1) . yes
S1 C22 1.640(3) . ?
S3 C21 1.624(3) 2_666 ?
S2 C23 1.649(3) 2_655 ?
N1 C1 1.344(4) . ?
N1 C5 1.352(4) . ?
N3 C15 1.328(4) . ?
N3 C11 1.358(4) . ?
C5 C4 1.381(4) . ?
C5 C6 1.475(4) . ?
N6 C22 1.145(4) . ?
N2 C10 1.341(4) . ?
N2 C6 1.350(4) . ?
N5 C21 1.151(4) . ?
C3 C2 1.376(5) . ?
C3 C4 1.384(5) . ?
C3 H3 0.9300 . ?
C11 C12 1.380(4) . ?
C11 C10 1.472(4) . ?
C10 C9 1.376(4) . ?
C1 C2 1.375(5) . ?
C1 H1 0.9300 . ?
C4 H4 0.9300 . ?
C6 C7 1.378(4) . ?
C2 H2 0.9300 . ?
C9 C8 1.402(4) . ?
C9 H9 0.9300 . ?
C7 C8 1.392(4) . ?
C7 H7 0.9300 . ?
C8 C16 1.486(4) . ?
C12 C13 1.377(5) . ?
C12 H12 0.9300 . ?
C15 C14 1.377(5) . ?
C15 H15 0.9300 . ?
C13 C14 1.372(5) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
N4 C17 1.326(4) . ?
N4 C16 1.337(4) . ?
C16 C20 1.384(5) . ?
C20 C19 1.385(5) . ?
C20 H20 0.9300 . ?
C19 C18 1.361(6) . ?
C19 H19 0.9300 . ?
C18 C17 1.366(6) . ?
C18 H18 0.9300 . ?
C17 H17 0.9300 . ?
N7 C23 1.154(4) . ?
C23 S2 1.649(3) 2_655 ?
C21 S3 1.624(3) 2_666 ?
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
N5 Cu2 S1 C22 119.30(15) . . . . ?
N2 Cu2 S1 C22 -61.88(14) . . . . ?
N3 Cu2 S1 C22 18.13(14) . . . . ?
N1 Cu2 S1 C22 -141.36(13) . . . . ?
N6 Cu1 S3 C21 0.10(19) . . . 2_666 ?
N7 Cu1 S3 C21 126.57(17) . . . 2_666 ?
S2 Cu1 S3 C21 -120.27(15) . . . 2_666 ?
N6 Cu1 S2 C23 112.81(16) . . . 2_655 ?
N7 Cu1 S2 C23 -9.75(15) . . . 2_655 ?
S3 Cu1 S2 C23 -129.69(12) . . . 2_655 ?
N5 Cu2 N1 C1 10.5(3) . . . . ?
N2 Cu2 N1 C1 176.6(3) . . . . ?
N3 Cu2 N1 C1 158.0(3) . . . . ?
S1 Cu2 N1 C1 -90.1(3) . . . . ?
N5 Cu2 N1 C5 -172.3(2) . . . . ?
N2 Cu2 N1 C5 -6.2(2) . . . . ?
N3 Cu2 N1 C5 -24.8(4) . . . . ?
S1 Cu2 N1 C5 87.1(2) . . . . ?
N5 Cu2 N3 C15 -12.7(3) . . . . ?
N2 Cu2 N3 C15 -178.8(3) . . . . ?
N1 Cu2 N3 C15 -160.2(3) . . . . ?
S1 Cu2 N3 C15 89.6(3) . . . . ?
N5 Cu2 N3 C11 167.8(2) . . . . ?
N2 Cu2 N3 C11 1.7(2) . . . . ?
N1 Cu2 N3 C11 20.3(4) . . . . ?
S1 Cu2 N3 C11 -89.9(2) . . . . ?
C1 N1 C5 C4 0.4(5) . . . . ?
Cu2 N1 C5 C4 -177.1(2) . . . . ?
C1 N1 C5 C6 -178.5(3) . . . . ?
Cu2 N1 C5 C6 4.0(3) . . . . ?
N7 Cu1 N6 C22 5.4(18) . . . . ?
S2 Cu1 N6 C22 -110.0(17) . . . . ?
S3 Cu1 N6 C22 131.0(17) . . . . ?
N5 Cu2 N2 C10 -91.5(5) . . . . ?
N3 Cu2 N2 C10 -5.0(2) . . . . ?
N1 Cu2 N2 C10 -178.1(2) . . . . ?
S1 Cu2 N2 C10 93.3(2) . . . . ?
N5 Cu2 N2 C6 94.4(5) . . . . ?
N3 Cu2 N2 C6 -179.1(2) . . . . ?
N1 Cu2 N2 C6 7.8(2) . . . . ?
S1 Cu2 N2 C6 -80.7(2) . . . . ?
N2 Cu2 N5 C21 -68.3(18) . . . . ?
N3 Cu2 N5 C21 -152.4(16) . . . . ?
N1 Cu2 N5 C21 15.8(16) . . . . ?
S1 Cu2 N5 C21 106.7(16) . . . . ?
C15 N3 C11 C12 2.3(5) . . . . ?
Cu2 N3 C11 C12 -178.2(3) . . . . ?
C15 N3 C11 C10 -178.1(3) . . . . ?
Cu2 N3 C11 C10 1.4(3) . . . . ?
C6 N2 C10 C9 2.0(4) . . . . ?
Cu2 N2 C10 C9 -171.9(2) . . . . ?
C6 N2 C10 C11 -179.0(3) . . . . ?
Cu2 N2 C10 C11 7.1(3) . . . . ?
N3 C11 C10 N2 -5.3(4) . . . . ?
C12 C11 C10 N2 174.3(3) . . . . ?
N3 C11 C10 C9 173.7(3) . . . . ?
C12 C11 C10 C9 -6.8(5) . . . . ?
C5 N1 C1 C2 -0.5(5) . . . . ?
Cu2 N1 C1 C2 176.6(2) . . . . ?
N1 C5 C4 C3 -0.2(5) . . . . ?
C6 C5 C4 C3 178.6(3) . . . . ?
C2 C3 C4 C5 0.1(5) . . . . ?
C10 N2 C6 C7 -1.6(4) . . . . ?
Cu2 N2 C6 C7 172.4(2) . . . . ?
C10 N2 C6 C5 178.3(3) . . . . ?
Cu2 N2 C6 C5 -7.8(3) . . . . ?
N1 C5 C6 N2 2.0(4) . . . . ?
C4 C5 C6 N2 -176.9(3) . . . . ?
N1 C5 C6 C7 -178.2(3) . . . . ?
C4 C5 C6 C7 3.0(5) . . . . ?
N1 C1 C2 C3 0.4(5) . . . . ?
C4 C3 C2 C1 -0.2(5) . . . . ?
N2 C10 C9 C8 -0.7(5) . . . . ?
C11 C10 C9 C8 -179.6(3) . . . . ?
N2 C6 C7 C8 -0.2(4) . . . . ?
C5 C6 C7 C8 180.0(3) . . . . ?
C6 C7 C8 C9 1.5(4) . . . . ?
C6 C7 C8 C16 -178.8(3) . . . . ?
C10 C9 C8 C7 -1.1(4) . . . . ?
C10 C9 C8 C16 179.3(3) . . . . ?
N3 C11 C12 C13 -1.7(5) . . . . ?
C10 C11 C12 C13 178.8(3) . . . . ?
C11 N3 C15 C14 -1.2(6) . . . . ?
Cu2 N3 C15 C14 179.3(3) . . . . ?
C11 C12 C13 C14 -0.1(6) . . . . ?
C12 C13 C14 C15 1.2(7) . . . . ?
N3 C15 C14 C13 -0.5(7) . . . . ?
C17 N4 C16 C20 0.7(5) . . . . ?
C17 N4 C16 C8 -179.6(3) . . . . ?
C7 C8 C16 N4 -12.5(4) . . . . ?
C9 C8 C16 N4 167.2(3) . . . . ?
C7 C8 C16 C20 167.2(3) . . . . ?
C9 C8 C16 C20 -13.1(5) . . . . ?
N4 C16 C20 C19 -1.7(6) . . . . ?
C8 C16 C20 C19 178.6(3) . . . . ?
C16 C20 C19 C18 1.2(6) . . . . ?
C20 C19 C18 C17 0.3(7) . . . . ?
C16 N4 C17 C18 0.9(6) . . . . ?
C19 C18 C17 N4 -1.4(7) . . . . ?
Cu1 N6 C22 S1 24(13) . . . . ?
Cu2 S1 C22 N6 120(11) . . . . ?
N6 Cu1 N7 C23 -96.3(6) . . . . ?
S2 Cu1 N7 C23 24.2(6) . . . . ?
S3 Cu1 N7 C23 141.4(6) . . . . ?
Cu1 N7 C23 S2 -120(16) . . . 2_655 ?
Cu2 N5 C21 S3 12(11) . . . 2_666 ?
