#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:23:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179788 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/84/7008454.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_7008454
loop_
_publ_author_name
'Hogarth, Graeme'
'Holman, K. Travis'
'Pateman, Andrew'
'Sella, Andrea'
'Steed, Jonathan W.'
'Richards, Idris'
_publ_section_title
;
 Multiple nitrene insertions into metal-sulfur bonds of dithiocarbamate
 complexes: synthesis of sulfido-amido and zwitterionic tetraamido
 complexes.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2688
_journal_page_last               2695
_journal_paper_doi               10.1039/b503004h
_journal_year                    2005
_chemical_formula_sum            'C25 H36 Cl2 Cu N4 O4 S6'
_chemical_formula_weight         783.38
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.5320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7830(4)
_cell_length_b                   14.5350(4)
_cell_length_c                   19.6760(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3568.72(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.75A
_diffrn_measured_fraction_theta_full 0.934
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device_type  KappaCCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_sigmaI/netI    0.0297
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            43653
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.49
_exptl_absorpt_coefficient_mu    1.148
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1620
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.998
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6115
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0490
_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)+(0.0674P)²+5.6790P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1303
_refine_ls_wR_factor_ref         0.1386
_reflns_number_gt                5209
_reflns_number_total             6115
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b503004h.txt
_cod_data_source_block           cuamid
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0674P)^2^+5.6790P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0674P)^2^+5.6790P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7008454
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.22292(3) 0.85654(3) 0.21276(2) 0.04053(15) Uani 1 d . . .
Cl1 Cl 0.3129(2) 0.81167(16) 0.45765(11) 0.1392(8) Uani 1 d . . .
Cl2 Cl 0.3263(3) 1.00762(15) 0.44260(14) 0.1477(9) Uani 1 d . . .
S1 S -0.00590(8) 0.80506(7) 0.14018(6) 0.0512(3) Uani 1 d . . .
S2 S 0.05102(8) 0.76881(7) 0.28142(6) 0.0499(3) Uani 1 d . . .
S3 S 0.26733(8) 0.71415(7) 0.26109(6) 0.0513(3) Uani 1 d . . .
S4 S 0.37994(8) 0.87114(7) 0.11367(5) 0.0482(2) Uani 1 d . . .
S5 S 0.44323(8) 0.95056(7) 0.24419(5) 0.0485(2) Uani 1 d . . .
S6 S 0.21638(7) 1.01403(7) 0.23018(6) 0.0475(2) Uani 1 d . . .
O1 O 0.0265(3) 0.8656(2) 0.09071(17) 0.0688(9) Uani 1 d . . .
O2 O -0.1152(2) 0.8073(3) 0.1472(2) 0.0751(10) Uani 1 d . . .
O3 O 0.4881(3) 0.8457(2) 0.11251(19) 0.0657(9) Uani 1 d . . .
O4 O 0.2942(3) 0.8137(2) 0.07849(18) 0.0689(9) Uani 1 d . . .
N1 N 0.0737(2) 0.8319(2) 0.21449(16) 0.0431(7) Uani 1 d . . .
N2 N 0.1552(3) 0.6189(2) 0.33486(19) 0.0543(8) Uani 1 d . . .
N3 N 0.3657(3) 0.8734(2) 0.19404(17) 0.0450(7) Uani 1 d . . .
N4 N 0.3884(3) 1.1187(2) 0.27356(18) 0.0481(7) Uani 1 d . . .
C1 C 0.0221(3) 0.6906(3) 0.1201(2) 0.0471(9) Uani 1 d . . .
C2 C 0.1012(4) 0.6728(3) 0.0842(2) 0.0560(10) Uani 1 d . . .
H2 H 0.1373 0.7208 0.0681 0.067 Uiso 1 calc R . .
C3 C 0.1260(4) 0.5824(4) 0.0724(3) 0.0661(12) Uani 1 d . . .
H3 H 0.1791 0.5703 0.0480 0.079 Uiso 1 calc R . .
C4 C 0.0738(4) 0.5092(3) 0.0961(3) 0.0616(11) Uani 1 d . . .
C5 C -0.0042(4) 0.5291(4) 0.1315(3) 0.0766(14) Uani 1 d . . .
H5 H -0.0399 0.4811 0.1479 0.092 Uiso 1 calc R . .
C6 C -0.0315(4) 0.6184(3) 0.1435(3) 0.0645(12) Uani 1 d . . .
H6 H -0.0856 0.6301 0.1672 0.077 Uiso 1 calc R . .
C7 C 0.1041(5) 0.4110(4) 0.0829(4) 0.0921(18) Uani 1 d . . .
H7A H 0.0941 0.3726 0.1207 0.111 Uiso 1 calc R . .
H7B H 0.1779 0.4089 0.0795 0.111 Uiso 1 calc R . .
H7C H 0.0596 0.3893 0.0402 0.111 Uiso 1 calc R . .
C8 C 0.1597(3) 0.6907(3) 0.2952(2) 0.0443(8) Uani 1 d . . .
C9 C 0.0564(4) 0.5919(4) 0.3582(3) 0.0749(14) Uani 1 d . . .
H9A H 0.0546 0.5255 0.3628 0.090 Uiso 1 calc R . .
H9B H -0.0059 0.6103 0.3233 0.090 Uiso 1 calc R . .
C10 C 0.0517(6) 0.6355(6) 0.4261(3) 0.113(3) Uani 1 d . . .
H10A H 0.1105 0.6138 0.4615 0.135 Uiso 1 calc R . .
H10B H -0.0147 0.6196 0.4384 0.135 Uiso 1 calc R . .
H10C H 0.0563 0.7011 0.4221 0.135 Uiso 1 calc R . .
C11 C 0.2489(4) 0.5582(3) 0.3579(3) 0.0723(14) Uani 1 d . . .
H11A H 0.2447 0.5300 0.4019 0.087 Uiso 1 calc R . .
H11B H 0.3138 0.5949 0.3654 0.087 Uiso 1 calc R . .
C12 C 0.2552(5) 0.4843(4) 0.3059(4) 0.097(2) Uani 1 d . . .
H12A H 0.1881 0.4520 0.2944 0.117 Uiso 1 calc R . .
H12B H 0.3114 0.4420 0.3253 0.117 Uiso 1 calc R . .
H12C H 0.2700 0.5116 0.2645 0.117 Uiso 1 calc R . .
C13 C 0.3610(3) 0.9833(3) 0.0788(2) 0.0474(9) Uani 1 d . . .
C14 C 0.4482(4) 1.0354(3) 0.0733(3) 0.0689(13) Uani 1 d . . .
H14 H 0.5171 1.0118 0.0875 0.083 Uiso 1 calc R . .
C15 C 0.4328(5) 1.1237(4) 0.0464(3) 0.0788(15) Uani 1 d . . .
H15 H 0.4922 1.1593 0.0437 0.095 Uiso 1 calc R . .
C16 C 0.3323(4) 1.1598(3) 0.0236(2) 0.0658(12) Uani 1 d . . .
C17 C 0.2462(4) 1.1062(4) 0.0288(2) 0.0675(12) Uani 1 d . . .
H17 H 0.1775 1.1295 0.0131 0.081 Uiso 1 calc R . .
C18 C 0.2583(4) 1.0181(3) 0.0568(2) 0.0564(10) Uani 1 d . . .
H18 H 0.1989 0.9833 0.0607 0.068 Uiso 1 calc R . .
C19 C 0.3179(6) 1.2561(4) -0.0057(4) 0.100(2) Uani 1 d . . .
H19A H 0.2602 1.2567 -0.0461 0.120 Uiso 1 calc R . .
H19B H 0.3828 1.2755 -0.0185 0.120 Uiso 1 calc R . .
H19C H 0.3017 1.2972 0.0288 0.120 Uiso 1 calc R . .
C20 C 0.3498(3) 1.0385(3) 0.25005(18) 0.0411(8) Uani 1 d . . .
C21 C 0.5042(3) 1.1392(3) 0.2881(3) 0.0614(11) Uani 1 d . . .
H21A H 0.5142 1.2045 0.2818 0.074 Uiso 1 calc R . .
H21B H 0.5366 1.1065 0.2549 0.074 Uiso 1 calc R . .
C22 C 0.5597(4) 1.1124(5) 0.3601(3) 0.0877(17) Uani 1 d . . .
H22A H 0.5225 1.1387 0.3930 0.105 Uiso 1 calc R . .
H22B H 0.6320 1.1348 0.3695 0.105 Uiso 1 calc R . .
H22C H 0.5601 1.0466 0.3643 0.105 Uiso 1 calc R . .
C23 C 0.3185(4) 1.1952(3) 0.2861(3) 0.0632(12) Uani 1 d . . .
H23A H 0.3573 1.2336 0.3235 0.076 Uiso 1 calc R . .
H23B H 0.2564 1.1703 0.3005 0.076 Uiso 1 calc R . .
C24 C 0.2823(6) 1.2527(4) 0.2222(4) 0.098(2) Uani 1 d . . .
H24A H 0.3438 1.2763 0.2072 0.117 Uiso 1 calc R . .
H24B H 0.2397 1.3031 0.2326 0.117 Uiso 1 calc R . .
H24C H 0.2403 1.2158 0.1859 0.117 Uiso 1 calc R . .
C1S C 0.3354(15) 0.8950(8) 0.4100(5) 0.265(10) Uani 1 d . . .
H1S1 H 0.2852 0.8903 0.3655 0.318 Uiso 1 calc R . .
H1S2 H 0.4067 0.8872 0.4014 0.318 Uiso 1 calc R . .
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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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
N1 Cu1 N3 169.85(13) . . ?
N1 Cu1 S3 88.97(9) . . ?
N3 Cu1 S3 91.97(10) . . ?
N1 Cu1 S6 96.44(10) . . ?
N3 Cu1 S6 88.21(9) . . ?
S3 Cu1 S6 147.34(5) . . ?
O2 S1 O1 118.8(2) . . ?
O2 S1 N1 109.76(19) . . ?
O1 S1 N1 104.16(18) . . ?
O2 S1 C1 107.0(2) . . ?
O1 S1 C1 108.9(2) . . ?
N1 S1 C1 107.91(17) . . ?
N1 S2 C8 101.93(17) . . ?
C8 S3 Cu1 101.31(14) . . ?
O4 S4 O3 118.7(2) . . ?
O4 S4 N3 104.24(18) . . ?
O3 S4 N3 109.35(19) . . ?
O4 S4 C13 109.0(2) . . ?
O3 S4 C13 106.44(19) . . ?
N3 S4 C13 108.84(17) . . ?
N3 S5 C20 101.57(17) . . ?
C20 S6 Cu1 100.01(13) . . ?
S1 N1 S2 113.01(18) . . ?
S1 N1 Cu1 116.68(17) . . ?
S2 N1 Cu1 116.72(17) . . ?
C8 N2 C11 121.3(3) . . ?
C8 N2 C9 122.9(4) . . ?
C11 N2 C9 115.8(4) . . ?
S4 N3 S5 114.19(18) . . ?
S4 N3 Cu1 119.06(19) . . ?
S5 N3 Cu1 115.60(17) . . ?
C20 N4 C21 122.2(3) . . ?
C20 N4 C23 122.2(3) . . ?
C21 N4 C23 115.6(3) . . ?
C2 C1 C6 119.9(4) . . ?
C2 C1 S1 120.0(3) . . ?
C6 C1 S1 120.0(3) . . ?
C1 C2 C3 119.0(4) . . ?
C2 C3 C4 121.8(4) . . ?
C5 C4 C3 117.7(4) . . ?
C5 C4 C7 122.0(5) . . ?
C3 C4 C7 120.3(5) . . ?
C4 C5 C6 121.9(5) . . ?
C5 C6 C1 119.6(4) . . ?
N2 C8 S3 122.7(3) . . ?
N2 C8 S2 117.8(3) . . ?
S3 C8 S2 119.3(2) . . ?
N2 C9 C10 111.5(5) . . ?
N2 C11 C12 112.2(5) . . ?
C14 C13 C18 120.3(4) . . ?
C14 C13 S4 119.8(3) . . ?
C18 C13 S4 120.0(3) . . ?
C13 C14 C15 119.4(5) . . ?
C16 C15 C14 121.7(5) . . ?
C17 C16 C15 118.0(4) . . ?
C17 C16 C19 121.5(5) . . ?
C15 C16 C19 120.5(5) . . ?
C16 C17 C18 122.1(5) . . ?
C13 C18 C17 118.5(4) . . ?
N4 C20 S6 123.3(3) . . ?
N4 C20 S5 117.2(3) . . ?
S6 C20 S5 119.4(2) . . ?
N4 C21 C22 112.4(4) . . ?
N4 C23 C24 111.6(4) . . ?
Cl1 C1S Cl2 117.1(6) . . ?
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 N1 1.949(3) . ?
Cu1 N3 1.954(3) . ?
Cu1 S3 2.2969(11) . ?
Cu1 S6 2.3188(10) . ?
Cl1 C1S 1.595(10) . ?
Cl2 C1S 1.771(12) . ?
S1 O2 1.434(3) . ?
S1 O1 1.438(3) . ?
S1 N1 1.637(3) . ?
S1 C1 1.764(4) . ?
S2 N1 1.680(3) . ?
S2 C8 1.768(4) . ?
S3 C8 1.691(4) . ?
S4 O4 1.431(3) . ?
S4 O3 1.436(3) . ?
S4 N3 1.631(3) . ?
S4 C13 1.764(4) . ?
S5 N3 1.670(3) . ?
S5 C20 1.770(4) . ?
S6 C20 1.702(4) . ?
N2 C8 1.313(5) . ?
N2 C11 1.477(6) . ?
N2 C9 1.486(5) . ?
N4 C20 1.310(5) . ?
N4 C21 1.476(5) . ?
N4 C23 1.481(5) . ?
C1 C2 1.377(6) . ?
C1 C6 1.386(6) . ?
C2 C3 1.383(7) . ?
C3 C4 1.389(7) . ?
C4 C5 1.365(7) . ?
C4 C7 1.515(7) . ?
C5 C6 1.377(7) . ?
C9 C10 1.492(9) . ?
C11 C12 1.498(8) . ?
C13 C14 1.372(6) . ?
C13 C18 1.386(6) . ?
C14 C15 1.385(7) . ?
C15 C16 1.370(7) . ?
C16 C17 1.370(7) . ?
C16 C19 1.510(7) . ?
C17 C18 1.390(7) . ?
C21 C22 1.492(7) . ?
C23 C24 1.497(8) . ?
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
N1 Cu1 S3 C8 -19.45(17) . . . . ?
N3 Cu1 S3 C8 170.66(17) . . . . ?
S6 Cu1 S3 C8 80.91(16) . . . . ?
N1 Cu1 S6 C20 166.27(16) . . . . ?
N3 Cu1 S6 C20 -22.78(16) . . . . ?
S3 Cu1 S6 C20 68.07(15) . . . . ?
O2 S1 N1 S2 52.1(3) . . . . ?
O1 S1 N1 S2 -179.8(2) . . . . ?
C1 S1 N1 S2 -64.2(2) . . . . ?
O2 S1 N1 Cu1 -168.4(2) . . . . ?
O1 S1 N1 Cu1 -40.3(2) . . . . ?
C1 S1 N1 Cu1 75.3(2) . . . . ?
C8 S2 N1 S1 104.0(2) . . . . ?
C8 S2 N1 Cu1 -35.5(2) . . . . ?
N3 Cu1 N1 S1 -8.4(9) . . . . ?
S3 Cu1 N1 S1 -103.80(17) . . . . ?
S6 Cu1 N1 S1 108.49(17) . . . . ?
N3 Cu1 N1 S2 129.6(7) . . . . ?
S3 Cu1 N1 S2 34.17(17) . . . . ?
S6 Cu1 N1 S2 -113.54(17) . . . . ?
O4 S4 N3 S5 -170.0(2) . . . . ?
O3 S4 N3 S5 62.0(2) . . . . ?
C13 S4 N3 S5 -53.9(2) . . . . ?
O4 S4 N3 Cu1 -27.7(3) . . . . ?
O3 S4 N3 Cu1 -155.65(19) . . . . ?
C13 S4 N3 Cu1 88.5(2) . . . . ?
C20 S5 N3 S4 103.9(2) . . . . ?
C20 S5 N3 Cu1 -39.8(2) . . . . ?
N1 Cu1 N3 S4 14.7(9) . . . . ?
S3 Cu1 N3 S4 109.85(18) . . . . ?
S6 Cu1 N3 S4 -102.83(18) . . . . ?
N1 Cu1 N3 S5 156.5(6) . . . . ?
S3 Cu1 N3 S5 -108.34(17) . . . . ?
S6 Cu1 N3 S5 38.98(17) . . . . ?
O2 S1 C1 C2 154.3(3) . . . . ?
O1 S1 C1 C2 24.8(4) . . . . ?
N1 S1 C1 C2 -87.7(4) . . . . ?
O2 S1 C1 C6 -29.0(4) . . . . ?
O1 S1 C1 C6 -158.5(4) . . . . ?
N1 S1 C1 C6 89.0(4) . . . . ?
C6 C1 C2 C3 -0.3(7) . . . . ?
S1 C1 C2 C3 176.4(3) . . . . ?
C1 C2 C3 C4 -0.3(7) . . . . ?
C2 C3 C4 C5 0.3(7) . . . . ?
C2 C3 C4 C7 -179.3(5) . . . . ?
C3 C4 C5 C6 0.3(8) . . . . ?
C7 C4 C5 C6 179.9(5) . . . . ?
C4 C5 C6 C1 -0.9(9) . . . . ?
C2 C1 C6 C5 0.9(7) . . . . ?
S1 C1 C6 C5 -175.8(4) . . . . ?
C11 N2 C8 S3 5.9(6) . . . . ?
C9 N2 C8 S3 -172.7(4) . . . . ?
C11 N2 C8 S2 -170.4(4) . . . . ?
C9 N2 C8 S2 11.0(6) . . . . ?
Cu1 S3 C8 N2 -172.7(3) . . . . ?
Cu1 S3 C8 S2 3.6(3) . . . . ?
N1 S2 C8 N2 -166.4(3) . . . . ?
N1 S2 C8 S3 17.1(3) . . . . ?
C8 N2 C9 C10 -90.9(6) . . . . ?
C11 N2 C9 C10 90.5(6) . . . . ?
C8 N2 C11 C12 -86.5(6) . . . . ?
C9 N2 C11 C12 92.2(5) . . . . ?
O4 S4 C13 C14 -145.0(4) . . . . ?
O3 S4 C13 C14 -15.9(4) . . . . ?
N3 S4 C13 C14 101.9(4) . . . . ?
O4 S4 C13 C18 34.6(4) . . . . ?
O3 S4 C13 C18 163.7(3) . . . . ?
N3 S4 C13 C18 -78.5(4) . . . . ?
C18 C13 C14 C15 0.9(8) . . . . ?
S4 C13 C14 C15 -179.5(4) . . . . ?
C13 C14 C15 C16 -1.4(9) . . . . ?
C14 C15 C16 C17 0.6(9) . . . . ?
C14 C15 C16 C19 -179.7(6) . . . . ?
C15 C16 C17 C18 0.7(8) . . . . ?
C19 C16 C17 C18 -178.9(5) . . . . ?
C14 C13 C18 C17 0.4(7) . . . . ?
S4 C13 C18 C17 -179.2(3) . . . . ?
C16 C17 C18 C13 -1.3(7) . . . . ?
C21 N4 C20 S6 -177.9(3) . . . . ?
C23 N4 C20 S6 1.0(6) . . . . ?
C21 N4 C20 S5 6.0(5) . . . . ?
C23 N4 C20 S5 -175.1(3) . . . . ?
Cu1 S6 C20 N4 -170.5(3) . . . . ?
Cu1 S6 C20 S5 5.5(2) . . . . ?
N3 S5 C20 N4 -165.6(3) . . . . ?
N3 S5 C20 S6 18.2(3) . . . . ?
C20 N4 C21 C22 -87.4(5) . . . . ?
C23 N4 C21 C22 93.6(5) . . . . ?
C20 N4 C23 C24 -88.6(5) . . . . ?
C21 N4 C23 C24 90.4(5) . . . . ?
