#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:05:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179775 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/71/7007134.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_7007134
loop_
_publ_author_name
'Zhou, Xiao-Ping'
'Li, Dan'
'Wu, Tao'
'Zhang, Xuanjun'
_publ_section_title
;
 Syntheses of supramolecular CuCN complexes by decomposing CuSCN: a
 general route to CuCN coordination polymers?
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2435
_journal_page_last               2443
_journal_paper_doi               10.1039/b517969f
_journal_year                    2006
_chemical_formula_sum            'C20 H12 Cu2 N8 S2'
_chemical_formula_weight         555.58
_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                113.292(10)
_cell_angle_beta                 92.875(12)
_cell_angle_gamma                95.627(11)
_cell_formula_units_Z            2
_cell_length_a                   3.814(3)
_cell_length_b                   16.187(11)
_cell_length_c                   17.468(12)
_cell_measurement_reflns_used    1645
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.3
_cell_measurement_theta_min      2.2
_cell_volume                     981.1(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0509
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7077
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    2.409
_exptl_absorpt_correction_T_max  0.7139
_exptl_absorpt_correction_T_min  0.5318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.780
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.166
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3448
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.166
_refine_ls_R_factor_all          0.0803
_refine_ls_R_factor_gt           0.0614
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0953P)²+0.0436P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1507
_refine_ls_wR_factor_ref         0.1717
_reflns_number_gt                2777
_reflns_number_total             3448
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b517969f.txt
_cod_data_source_block           1219am
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_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_original_cell_volume        981.2(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7007134
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
Cu1 Cu 0.5009(2) 0.52917(5) 0.18092(5) 0.0422(3) Uani 1 1 d . . .
Cu2 Cu 0.8404(2) 0.16385(5) 0.06574(5) 0.0413(3) Uani 1 1 d . . .
N1 N 0.5646(13) 0.6702(3) 0.1681(3) 0.0292(11) Uani 1 1 d . . .
N2 N 0.4270(12) 0.6295(3) 0.2968(3) 0.0249(11) Uani 1 1 d . . .
N3 N 0.4481(13) 0.4577(3) 0.2749(3) 0.0284(11) Uani 1 1 d . . .
N4 N 0.2393(13) 0.6658(3) 0.4317(3) 0.0308(12) Uani 1 1 d . . .
N5 N 0.1724(16) 0.7986(4) 0.5862(3) 0.0433(14) Uani 1 1 d . . .
N6 N 0.3010(14) 0.7780(3) 0.3758(3) 0.0297(12) Uani 1 1 d . . .
N7 N 0.8963(14) 0.2891(3) 0.0822(3) 0.0335(12) Uani 1 1 d . . .
N8 N 0.2290(14) -0.0589(4) 0.0438(3) 0.0354(12) Uani 1 1 d . . .
S1 S 0.9517(4) 0.47179(9) 0.10180(9) 0.0253(4) Uani 1 1 d . . .
S2 S 0.3399(4) 0.13020(10) 0.13736(9) 0.0306(4) Uani 1 1 d . . .
C1 C 0.6396(17) 0.6885(4) 0.1027(4) 0.0363(15) Uani 1 1 d . . .
H1 H 0.6973 0.6416 0.0552 0.044 Uiso 1 1 calc R . .
C2 C 0.6370(16) 0.7730(4) 0.1010(4) 0.0339(14) Uani 1 1 d . . .
H2 H 0.6944 0.7827 0.0539 0.041 Uiso 1 1 calc R . .
C3 C 0.5476(18) 0.8423(4) 0.1705(4) 0.0399(16) Uani 1 1 d . . .
H3 H 0.5379 0.8997 0.1710 0.048 Uiso 1 1 calc R . .
C4 C 0.4721(16) 0.8246(4) 0.2399(4) 0.0299(14) Uani 1 1 d . . .
H4 H 0.4163 0.8705 0.2883 0.036 Uiso 1 1 calc R . .
C5 C 0.4806(14) 0.7392(4) 0.2362(3) 0.0204(12) Uani 1 1 d . . .
C6 C 0.3979(15) 0.7148(4) 0.3072(3) 0.0248(12) Uani 1 1 d . . .
C7 C 0.2316(16) 0.7505(4) 0.4374(3) 0.0284(13) Uani 1 1 d . . .
C8 C 0.1435(16) 0.8188(4) 0.5174(4) 0.0316(14) Uani 1 1 d . . .
C9 C 0.046(2) 0.8985(4) 0.5208(4) 0.050(2) Uani 1 1 d . . .
H9 H 0.0295 0.9108 0.4731 0.060 Uiso 1 1 calc R . .
C10 C -0.025(3) 0.9595(5) 0.5959(5) 0.067(3) Uani 1 1 d . . .
H10 H -0.0939 1.0143 0.5992 0.081 Uiso 1 1 calc R . .
C11 C 0.000(2) 0.9433(5) 0.6660(4) 0.0495(19) Uani 1 1 d . . .
H11 H -0.0505 0.9861 0.7170 0.059 Uiso 1 1 calc R . .
C12 C 0.0995(19) 0.8630(5) 0.6599(4) 0.0467(18) Uani 1 1 d . . .
H12 H 0.1191 0.8514 0.7079 0.056 Uiso 1 1 calc R . .
C13 C 0.3345(15) 0.6077(4) 0.3602(3) 0.0250(12) Uani 1 1 d . . .
C14 C 0.3462(15) 0.5124(4) 0.3487(3) 0.0253(12) Uani 1 1 d . . .
C15 C 0.2541(17) 0.4827(4) 0.4100(4) 0.0307(14) Uani 1 1 d . . .
H15 H 0.1831 0.5223 0.4601 0.037 Uiso 1 1 calc R . .
C16 C 0.2702(19) 0.3937(4) 0.3951(4) 0.0393(16) Uani 1 1 d . . .
H16 H 0.2127 0.3722 0.4356 0.047 Uiso 1 1 calc R . .
C17 C 0.3707(18) 0.3362(4) 0.3205(4) 0.0368(15) Uani 1 1 d . . .
H17 H 0.3797 0.2753 0.3091 0.044 Uiso 1 1 calc R . .
C18 C 0.4578(17) 0.3712(4) 0.2632(4) 0.0312(14) Uani 1 1 d . . .
H18 H 0.5284 0.3321 0.2128 0.037 Uiso 1 1 calc R . .
C19 C 0.9181(14) 0.3646(4) 0.0909(3) 0.0240(12) Uani 1 1 d . . .
C20 C 0.2745(15) 0.0182(4) 0.0827(3) 0.0255(13) 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
N2 Cu1 S1 139.66(14) . . ?
N2 Cu1 S1 108.92(14) . 1_455 ?
S1 Cu1 S1 110.78(8) . 1_455 ?
N2 Cu1 N3 73.27(18) . . ?
S1 Cu1 N3 106.63(13) . . ?
S1 Cu1 N3 99.38(13) 1_455 . ?
N2 Cu1 N1 72.39(17) . . ?
S1 Cu1 N1 95.85(13) . . ?
S1 Cu1 N1 96.94(13) 1_455 . ?
N3 Cu1 N1 145.18(16) . . ?
N7 Cu2 N8 125.7(2) . 2_655 ?
N7 Cu2 S2 111.04(16) . 1_655 ?
N8 Cu2 S2 102.42(16) 2_655 1_655 ?
N7 Cu2 S2 110.87(16) . . ?
N8 Cu2 S2 102.23(17) 2_655 . ?
S2 Cu2 S2 101.82(8) 1_655 . ?
C1 N1 C5 117.0(5) . . ?
C1 N1 Cu1 129.6(4) . . ?
C5 N1 Cu1 113.1(3) . . ?
C6 N2 C13 115.6(5) . . ?
C6 N2 Cu1 122.2(4) . . ?
C13 N2 Cu1 120.8(4) . . ?
C18 N3 C14 116.2(5) . . ?
C18 N3 Cu1 130.9(4) . . ?
C14 N3 Cu1 112.3(4) . . ?
C13 N4 C7 115.6(5) . . ?
C12 N5 C8 116.7(6) . . ?
C6 N6 C7 115.0(5) . . ?
C19 N7 Cu2 177.6(5) . . ?
C20 N8 Cu2 150.5(5) . 2_655 ?
C19 S1 Cu1 104.0(2) . . ?
C19 S1 Cu1 100.8(2) . 1_655 ?
Cu1 S1 Cu1 110.78(8) . 1_655 ?
C20 S2 Cu2 96.2(2) . 1_455 ?
C20 S2 Cu2 97.5(2) . . ?
Cu2 S2 Cu2 101.82(8) 1_455 . ?
N1 C1 C2 123.8(6) . . ?
N1 C1 H1 118.1 . . ?
C2 C1 H1 118.1 . . ?
C3 C2 C1 118.6(6) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 118.4(6) . . ?
C2 C3 H3 120.8 . . ?
C4 C3 H3 120.8 . . ?
C5 C4 C3 119.3(5) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 123.0(5) . . ?
N1 C5 C6 114.6(5) . . ?
C4 C5 C6 122.4(5) . . ?
N6 C6 N2 124.7(5) . . ?
N6 C6 C5 118.6(5) . . ?
N2 C6 C5 116.7(5) . . ?
N4 C7 N6 124.6(5) . . ?
N4 C7 C8 117.5(5) . . ?
N6 C7 C8 117.8(5) . . ?
C9 C8 N5 122.7(5) . . ?
C9 C8 C7 120.0(6) . . ?
N5 C8 C7 117.3(5) . . ?
C10 C9 C8 117.8(6) . . ?
C10 C9 H9 121.1 . . ?
C8 C9 H9 121.1 . . ?
C11 C10 C9 122.1(7) . . ?
C11 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
C10 C11 C12 118.1(6) . . ?
C10 C11 H11 120.9 . . ?
C12 C11 H11 120.9 . . ?
C11 C12 N5 122.6(7) . . ?
C11 C12 H12 118.7 . . ?
N5 C12 H12 118.7 . . ?
N4 C13 N2 124.3(5) . . ?
N4 C13 C14 118.8(5) . . ?
N2 C13 C14 116.9(5) . . ?
N3 C14 C15 123.1(5) . . ?
N3 C14 C13 115.4(5) . . ?
C15 C14 C13 121.5(5) . . ?
C16 C15 C14 118.3(5) . . ?
C16 C15 H15 120.8 . . ?
C14 C15 H15 120.8 . . ?
C17 C16 C15 120.0(6) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 118.0(6) . . ?
C16 C17 H17 121.0 . . ?
C18 C17 H17 121.0 . . ?
N3 C18 C17 124.4(5) . . ?
N3 C18 H18 117.8 . . ?
C17 C18 H18 117.8 . . ?
N7 C19 S1 179.0(5) . . ?
N8 C20 S2 178.8(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 2.089(5) . ?
Cu1 S1 2.2949(19) . ?
Cu1 S1 2.339(2) 1_455 ?
Cu1 N3 2.358(5) . ?
Cu1 N1 2.371(5) . ?
Cu2 N7 1.921(5) . ?
Cu2 N8 1.977(5) 2_655 ?
Cu2 S2 2.449(2) 1_655 ?
Cu2 S2 2.466(2) . ?
N1 C1 1.326(8) . ?
N1 C5 1.351(7) . ?
N2 C6 1.335(7) . ?
N2 C13 1.341(7) . ?
N3 C18 1.339(7) . ?
N3 C14 1.346(7) . ?
N4 C13 1.327(7) . ?
N4 C7 1.339(7) . ?
N5 C12 1.361(9) . ?
N5 C8 1.367(8) . ?
N6 C6 1.331(7) . ?
N6 C7 1.343(7) . ?
N7 C19 1.164(7) . ?
N8 C20 1.150(7) . ?
N8 Cu2 1.977(5) 2_655 ?
S1 C19 1.660(6) . ?
S1 Cu1 2.339(2) 1_655 ?
S2 C20 1.668(6) . ?
S2 Cu2 2.449(2) 1_455 ?
C1 C2 1.381(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.375(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.388(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.362(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.481(8) . ?
C7 C8 1.478(8) . ?
C8 C9 1.357(9) . ?
C9 C10 1.355(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.351(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.357(10) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.479(8) . ?
C14 C15 1.384(8) . ?
C15 C16 1.368(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.368(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.370(8) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
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
N2 Cu1 N1 C1 178.8(6) . . . . ?
S1 Cu1 N1 C1 38.3(5) . . . . ?
S1 Cu1 N1 C1 -73.5(5) 1_455 . . . ?
N3 Cu1 N1 C1 168.9(5) . . . . ?
N2 Cu1 N1 C5 -7.5(4) . . . . ?
S1 Cu1 N1 C5 -148.0(4) . . . . ?
S1 Cu1 N1 C5 100.2(4) 1_455 . . . ?
N3 Cu1 N1 C5 -17.3(6) . . . . ?
S1 Cu1 N2 C6 87.4(5) . . . . ?
S1 Cu1 N2 C6 -82.0(4) 1_455 . . . ?
N3 Cu1 N2 C6 -176.5(5) . . . . ?
N1 Cu1 N2 C6 9.4(4) . . . . ?
S1 Cu1 N2 C13 -106.5(4) . . . . ?
S1 Cu1 N2 C13 84.1(4) 1_455 . . . ?
N3 Cu1 N2 C13 -10.3(4) . . . . ?
N1 Cu1 N2 C13 175.6(5) . . . . ?
N2 Cu1 N3 C18 179.7(6) . . . . ?
S1 Cu1 N3 C18 -42.5(6) . . . . ?
S1 Cu1 N3 C18 72.7(5) 1_455 . . . ?
N1 Cu1 N3 C18 -170.5(5) . . . . ?
N2 Cu1 N3 C14 9.4(4) . . . . ?
S1 Cu1 N3 C14 147.2(4) . . . . ?
S1 Cu1 N3 C14 -97.7(4) 1_455 . . . ?
N1 Cu1 N3 C14 19.2(6) . . . . ?
N8 Cu2 N7 C19 65(12) 2_655 . . . ?
S2 Cu2 N7 C19 -171(12) 1_655 . . . ?
S2 Cu2 N7 C19 -58(12) . . . . ?
N2 Cu1 S1 C19 118.3(3) . . . . ?
S1 Cu1 S1 C19 -72.5(2) 1_455 . . . ?
N3 Cu1 S1 C19 34.7(2) . . . . ?
N1 Cu1 S1 C19 -172.2(2) . . . . ?
N2 Cu1 S1 Cu1 10.7(2) . . . 1_655 ?
S1 Cu1 S1 Cu1 180.0 1_455 . . 1_655 ?
N3 Cu1 S1 Cu1 -72.83(15) . . . 1_655 ?
N1 Cu1 S1 Cu1 80.28(14) . . . 1_655 ?
N7 Cu2 S2 C20 159.8(2) . . . . ?
N8 Cu2 S2 C20 23.7(2) 2_655 . . . ?
S2 Cu2 S2 C20 -82.0(2) 1_655 . . . ?
N7 Cu2 S2 Cu2 61.82(18) . . . 1_455 ?
N8 Cu2 S2 Cu2 -74.32(16) 2_655 . . 1_455 ?
S2 Cu2 S2 Cu2 180.0 1_655 . . 1_455 ?
C5 N1 C1 C2 0.2(9) . . . . ?
Cu1 N1 C1 C2 173.7(5) . . . . ?
N1 C1 C2 C3 -0.8(10) . . . . ?
C1 C2 C3 C4 1.5(10) . . . . ?
C2 C3 C4 C5 -1.6(10) . . . . ?
C1 N1 C5 C4 -0.3(9) . . . . ?
Cu1 N1 C5 C4 -174.8(5) . . . . ?
C1 N1 C5 C6 179.8(5) . . . . ?
Cu1 N1 C5 C6 5.2(6) . . . . ?
C3 C4 C5 N1 1.0(9) . . . . ?
C3 C4 C5 C6 -179.0(6) . . . . ?
C7 N6 C6 N2 0.2(9) . . . . ?
C7 N6 C6 C5 -179.8(5) . . . . ?
C13 N2 C6 N6 3.1(9) . . . . ?
Cu1 N2 C6 N6 169.9(5) . . . . ?
C13 N2 C6 C5 -176.9(5) . . . . ?
Cu1 N2 C6 C5 -10.0(7) . . . . ?
N1 C5 C6 N6 -177.8(5) . . . . ?
C4 C5 C6 N6 2.2(9) . . . . ?
N1 C5 C6 N2 2.1(7) . . . . ?
C4 C5 C6 N2 -177.8(5) . . . . ?
C13 N4 C7 N6 2.2(9) . . . . ?
C13 N4 C7 C8 -177.2(5) . . . . ?
C6 N6 C7 N4 -3.0(9) . . . . ?
C6 N6 C7 C8 176.4(5) . . . . ?
C12 N5 C8 C9 -0.2(10) . . . . ?
C12 N5 C8 C7 178.3(6) . . . . ?
N4 C7 C8 C9 -163.7(7) . . . . ?
N6 C7 C8 C9 16.8(10) . . . . ?
N4 C7 C8 N5 17.7(9) . . . . ?
N6 C7 C8 N5 -161.8(6) . . . . ?
N5 C8 C9 C10 -0.3(12) . . . . ?
C7 C8 C9 C10 -178.8(8) . . . . ?
C8 C9 C10 C11 0.4(14) . . . . ?
C9 C10 C11 C12 -0.1(14) . . . . ?
C10 C11 C12 N5 -0.5(12) . . . . ?
C8 N5 C12 C11 0.6(11) . . . . ?
C7 N4 C13 N2 1.5(9) . . . . ?
C7 N4 C13 C14 -179.4(5) . . . . ?
C6 N2 C13 N4 -4.0(8) . . . . ?
Cu1 N2 C13 N4 -171.0(5) . . . . ?
C6 N2 C13 C14 176.9(5) . . . . ?
Cu1 N2 C13 C14 9.9(7) . . . . ?
C18 N3 C14 C15 -0.2(9) . . . . ?
Cu1 N3 C14 C15 171.6(5) . . . . ?
C18 N3 C14 C13 -179.5(5) . . . . ?
Cu1 N3 C14 C13 -7.7(6) . . . . ?
N4 C13 C14 N3 -179.5(5) . . . . ?
N2 C13 C14 N3 -0.3(8) . . . . ?
N4 C13 C14 C15 1.2(9) . . . . ?
N2 C13 C14 C15 -179.6(6) . . . . ?
N3 C14 C15 C16 0.5(10) . . . . ?
C13 C14 C15 C16 179.8(6) . . . . ?
C14 C15 C16 C17 -0.9(10) . . . . ?
C15 C16 C17 C18 0.9(11) . . . . ?
C14 N3 C18 C17 0.3(9) . . . . ?
Cu1 N3 C18 C17 -169.8(5) . . . . ?
C16 C17 C18 N3 -0.6(10) . . . . ?
Cu2 N7 C19 S1 -91(36) . . . . ?
Cu1 S1 C19 N7 148(35) . . . . ?
Cu1 S1 C19 N7 -97(35) 1_655 . . . ?
Cu2 N8 C20 S2 2(26) 2_655 . . . ?
Cu2 S2 C20 N8 50(26) 1_455 . . . ?
Cu2 S2 C20 N8 -53(26) . . . . ?
