#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/00/2220099.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2220099
loop_
_publ_author_name
'Zhao, Jun'
'Dong, Wen-Wen'
'Li, Dong-Sheng'
'Ke, Xi-Jun'
_publ_section_title
catena-Poly[[(1,10-phenanthroline-κ²N,N')copper(I)]-μ-thiocyanato-κ²N:S-[(1,10-phenanthroline-κ²N,N')copper(I)]-μ-cyanido-κ²N:C]
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1577
_journal_paper_doi               10.1107/S1600536808037744
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu2 (CN) (NCS) (C12 H8 N2)2 ]'
_chemical_formula_moiety         'C26 H16 Cu2 N6 S'
_chemical_formula_sum            'C26 H16 Cu2 N6 S'
_chemical_formula_weight         571.59
_chemical_name_systematic
;catena-Poly[[(1,10-phenanthroline-κ²N,N')copper(I)]-μ-thiocyanato-κ²N:S-
[(1,10-phenanthroline-κ²N,N')copper(I)]-μ-cyanido-κ²N:C]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.044(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.046(7)
_cell_length_b                   13.470(7)
_cell_length_c                   13.538(7)
_cell_measurement_reflns_used    2103
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4603
_cell_measurement_theta_min      2.1670
_cell_volume                     2379(2)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.913
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0808
_diffrn_reflns_av_sigmaI/netI    0.0766
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15496
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    1.903
_exptl_absorpt_correction_T_max  0.8038
_exptl_absorpt_correction_T_min  0.5991
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.468
_refine_diff_density_min         -0.572
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4959
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0608
_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)+(0.0669P)²+0.4979P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1477
_refine_ls_wR_factor_ref         0.1643
_reflns_number_gt                3662
_reflns_number_total             4959
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt2813.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2220099
_cod_database_fobs_code          2220099
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_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_refinement_flags
_atom_site_occupancy
Cu Cu1 0.08441(4) 0.73813(3) 0.04132(4) 0.06012(19) Uani d . 1
Cu Cu2 0.45032(3) 0.76203(3) -0.04863(3) 0.05589(18) Uani d . 1
C C1 0.3089(3) 0.7520(2) -0.0233(3) 0.0502(8) Uani d . 1
N N2 0.5019(2) 0.8164(2) -0.1747(2) 0.0623(7) Uani d . 1
N N3 -0.0405(2) 0.73312(19) -0.0551(2) 0.0557(7) Uani d . 1
N N4 0.0024(2) 0.86301(19) 0.0898(2) 0.0524(6) Uani d . 1
N N5 0.54334(18) 0.8232(2) 0.06500(19) 0.0501(6) Uani d . 1
N N6 0.5591(2) 0.64667(19) -0.02813(19) 0.0515(6) Uani d . 1
N N1 0.2232(2) 0.74724(19) -0.0059(2) 0.0619(8) Uani d . 1
C C2 0.5338(2) 0.8478(2) -0.2473(2) 0.0505(7) Uani d . 1
C C3 -0.0636(3) 0.6686(3) -0.1262(3) 0.0712(10) Uani d . 1
H H3A -0.0226 0.6125 -0.1325 0.085 Uiso calc R 1
C C4 -0.1433(4) 0.6793(3) -0.1905(4) 0.0901(14) Uani d . 1
H H4A -0.1549 0.6324 -0.2397 0.108 Uiso calc R 1
C C5 -0.2064(4) 0.7608(3) -0.1815(4) 0.0854(15) Uani d . 1
H H5A -0.2610 0.7697 -0.2248 0.103 Uiso calc R 1
C C6 -0.1878(2) 0.8295(2) -0.1071(3) 0.0609(9) Uani d . 1
C C7 -0.2500(3) 0.9176(3) -0.0924(3) 0.0709(10) Uani d . 1
H H7A -0.3060 0.9296 -0.1333 0.085 Uiso calc R 1
C C8 -0.2269(3) 0.9819(3) -0.0200(3) 0.0662(10) Uani d . 1
H H8A -0.2675 1.0380 -0.0119 0.079 Uiso calc R 1
C C9 -0.1417(2) 0.9670(2) 0.0451(3) 0.0523(7) Uani d . 1
C C10 -0.1156(3) 1.0327(2) 0.1207(3) 0.0597(9) Uani d . 1
H H10A -0.1545 1.0896 0.1311 0.072 Uiso calc R 1
C C11 -0.0333(3) 1.0133(3) 0.1790(3) 0.0682(10) Uani d . 1
H H11A -0.0155 1.0563 0.2299 0.082 Uiso calc R 1
C C12 0.0254(3) 0.9263(3) 0.1610(2) 0.0625(9) Uani d . 1
H H12A 0.0820 0.9135 0.2008 0.075 Uiso calc R 1
C C13 -0.0798(2) 0.8824(2) 0.0330(2) 0.0473(7) Uani d . 1
C C14 -0.1038(2) 0.8128(2) -0.0458(2) 0.0502(7) Uani d . 1
C C15 0.5371(3) 0.9102(3) 0.1122(3) 0.0639(9) Uani d . 1
H H15A 0.4849 0.9536 0.0943 0.077 Uiso calc R 1
C C16 0.6044(3) 0.9392(3) 0.1865(3) 0.0747(10) Uani d . 1
H H16A 0.5968 1.0008 0.2167 0.090 Uiso calc R 1
C C17 0.6812(3) 0.8776(3) 0.2149(3) 0.0733(10) Uani d . 1
H H17A 0.7253 0.8954 0.2659 0.088 Uiso calc R 1
C C18 0.6929(3) 0.7856(3) 0.1653(3) 0.0559(8) Uani d . 1
C C19 0.7759(3) 0.7185(3) 0.1877(3) 0.0692(10) Uani d . 1
H H19A 0.8219 0.7332 0.2382 0.083 Uiso calc R 1
C C20 0.7865(3) 0.6345(3) 0.1351(3) 0.0696(10) Uani d . 1
H H20A 0.8424 0.5937 0.1478 0.084 Uiso calc R 1
C C21 0.7157(2) 0.6058(2) 0.0611(3) 0.0581(8) Uani d . 1
C C22 0.7226(3) 0.5174(3) 0.0063(3) 0.0743(12) Uani d . 1
H H22A 0.7770 0.4740 0.0168 0.089 Uiso calc R 1
C C23 0.6491(3) 0.4955(3) -0.0622(3) 0.0783(12) Uani d . 1
H H23A 0.6530 0.4370 -0.0985 0.094 Uiso calc R 1
C C24 0.5680(3) 0.5616(3) -0.0775(3) 0.0641(9) Uani d . 1
H H24A 0.5182 0.5455 -0.1240 0.077 Uiso calc R 1
C C25 0.6313(2) 0.6691(2) 0.0399(2) 0.0471(7) Uani d . 1
C C26 0.6224(3) 0.7617(2) 0.0929(2) 0.0468(7) Uani d . 1
S S1 0.58145(8) 0.89734(6) -0.34839(7) 0.0644(3) Uani d . 1
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_site_symmetry_3
_geom_angle
N1 Cu1 N3 . 121.90(14)
N1 Cu1 N4 . 122.18(11)
N3 Cu1 N4 . 79.83(11)
N1 Cu1 S1 4_576 105.99(9)
N3 Cu1 S1 4_576 110.96(8)
N4 Cu1 S1 4_576 114.43(8)
C1 Cu2 N2 . 121.25(14)
C1 Cu2 N6 . 125.39(12)
N2 Cu2 N6 . 98.99(11)
C1 Cu2 N5 . 117.10(13)
N2 Cu2 N5 . 106.65(12)
N6 Cu2 N5 . 78.93(11)
N1 C1 Cu2 . 178.3(4)
C2 N2 Cu2 . 178.7(3)
C3 N3 C14 . 116.5(3)
C3 N3 Cu1 . 130.5(2)
C14 N3 Cu1 . 112.9(2)
C12 N4 C13 . 118.2(3)
C12 N4 Cu1 . 129.0(2)
C13 N4 Cu1 . 112.6(2)
C15 N5 C26 . 116.2(3)
C15 N5 Cu2 . 130.6(2)
C26 N5 Cu2 . 113.1(2)
C24 N6 C25 . 118.3(3)
C24 N6 Cu2 . 128.5(3)
C25 N6 Cu2 . 113.0(2)
C1 N1 Cu1 . 172.5(4)
N2 C2 S1 . 177.3(3)
N3 C3 C4 . 124.4(4)
N3 C3 H3A . 117.8
C4 C3 H3A . 117.8
C3 C4 C5 . 118.9(4)
C3 C4 H4A . 120.5
C5 C4 H4A . 120.5
C4 C5 C6 . 119.4(4)
C4 C5 H5A . 120.3
C6 C5 H5A . 120.3
C14 C6 C5 . 117.5(3)
C14 C6 C7 . 119.4(3)
C5 C6 C7 . 123.1(4)
C8 C7 C6 . 120.1(3)
C8 C7 H7A . 119.9
C6 C7 H7A . 119.9
C7 C8 C9 . 122.2(3)
C7 C8 H8A . 118.9
C9 C8 H8A . 118.9
C10 C9 C13 . 117.4(3)
C10 C9 C8 . 123.4(3)
C13 C9 C8 . 119.1(3)
C11 C10 C9 . 119.7(3)
C11 C10 H10A . 120.1
C9 C10 H10A . 120.1
C10 C11 C12 . 119.1(3)
C10 C11 H11A . 120.5
C12 C11 H11A . 120.5
N4 C12 C11 . 122.4(3)
N4 C12 H12A . 118.8
C11 C12 H12A . 118.8
N4 C13 C9 . 123.2(3)
N4 C13 C14 . 117.7(3)
C9 C13 C14 . 119.0(3)
N3 C14 C6 . 123.4(3)
N3 C14 C13 . 116.6(3)
C6 C14 C13 . 120.1(3)
N5 C15 C16 . 123.6(3)
N5 C15 H15A . 118.2
C16 C15 H15A . 118.2
C17 C16 C15 . 119.9(4)
C17 C16 H16A . 120.1
C15 C16 H16A . 120.1
C16 C17 C18 . 118.8(4)
C16 C17 H17A . 120.6
C18 C17 H17A . 120.6
C26 C18 C17 . 117.9(3)
C26 C18 C19 . 120.1(4)
C17 C18 C19 . 122.0(4)
C20 C19 C18 . 119.6(4)
C20 C19 H19A . 120.2
C18 C19 H19A . 120.2
C19 C20 C21 . 122.5(3)
C19 C20 H20A . 118.7
C21 C20 H20A . 118.7
C22 C21 C20 . 124.2(3)
C22 C21 C25 . 116.8(4)
C20 C21 C25 . 118.9(3)
C23 C22 C21 . 119.7(3)
C23 C22 H22A . 120.1
C21 C22 H22A . 120.1
C22 C23 C24 . 119.5(4)
C22 C23 H23A . 120.2
C24 C23 H23A . 120.2
N6 C24 C23 . 122.7(4)
N6 C24 H24A . 118.7
C23 C24 H24A . 118.7
N6 C25 C21 . 122.9(3)
N6 C25 C26 . 118.4(3)
C21 C25 C26 . 118.7(3)
N5 C26 C18 . 123.6(3)
N5 C26 C25 . 116.4(3)
C18 C26 C25 . 120.0(3)
C2 S1 Cu1 4_675 102.69(12)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cu1 N1 . 1.924(3)
Cu1 N3 . 2.089(3)
Cu1 N4 . 2.099(3)
Cu1 S1 4_576 2.3581(13)
Cu2 C1 . 1.882(3)
Cu2 N2 . 1.976(3)
Cu2 N6 . 2.123(3)
Cu2 N5 . 2.125(3)
C1 N1 . 1.145(5)
N2 C2 . 1.148(4)
N3 C3 . 1.331(5)
N3 C14 . 1.360(4)
N4 C12 . 1.322(4)
N4 C13 . 1.345(4)
N5 C15 . 1.336(4)
N5 C26 . 1.376(4)
N6 C24 . 1.331(4)
N6 C25 . 1.351(4)
C2 S1 . 1.645(3)
C3 C4 . 1.363(6)
C3 H3A . 0.9300
C4 C5 . 1.377(6)
C4 H4A . 0.9300
C5 C6 . 1.390(6)
C5 H5A . 0.9300
C6 C14 . 1.392(5)
C6 C7 . 1.452(5)
C7 C8 . 1.341(5)
C7 H7A . 0.9300
C8 C9 . 1.433(5)
C8 H8A . 0.9300
C9 C10 . 1.395(5)
C9 C13 . 1.406(4)
C10 C11 . 1.358(5)
C10 H10A . 0.9300
C11 C12 . 1.420(5)
C11 H11A . 0.9300
C12 H12A . 0.9300
C13 C14 . 1.454(5)
C15 C16 . 1.391(5)
C15 H15A . 0.9300
C16 C17 . 1.356(6)
C16 H16A . 0.9300
C17 C18 . 1.417(5)
C17 H17A . 0.9300
C18 C26 . 1.382(5)
C18 C19 . 1.443(5)
C19 C20 . 1.343(6)
C19 H19A . 0.9300
C20 C21 . 1.416(5)
C20 H20A . 0.9300
C21 C22 . 1.406(5)
C21 C25 . 1.421(4)
C22 C23 . 1.366(6)
C22 H22A . 0.9300
C23 C24 . 1.399(5)
C23 H23A . 0.9300
C24 H24A . 0.9300
C25 C26 . 1.444(4)
S1 Cu1 4_675 2.3581(13)
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
N2 Cu2 C1 N1 . . -122(11)
N6 Cu2 C1 N1 . . 107(11)
N5 Cu2 C1 N1 . . 11(11)
C1 Cu2 N2 C2 . . 18E1(10)
N6 Cu2 N2 C2 . . -41(13)
N5 Cu2 N2 C2 . . 40(13)
N1 Cu1 N3 C3 . . 59.4(4)
N4 Cu1 N3 C3 . . -178.9(3)
S1 Cu1 N3 C3 4_576 . -66.5(3)
N1 Cu1 N3 C14 . . -116.3(2)
N4 Cu1 N3 C14 . . 5.5(2)
S1 Cu1 N3 C14 4_576 . 117.9(2)
N1 Cu1 N4 C12 . . -58.1(3)
N3 Cu1 N4 C12 . . -179.6(3)
S1 Cu1 N4 C12 4_576 . 71.9(3)
N1 Cu1 N4 C13 . . 116.1(2)
N3 Cu1 N4 C13 . . -5.3(2)
S1 Cu1 N4 C13 4_576 . -113.87(19)
C1 Cu2 N5 C15 . . -55.7(3)
N2 Cu2 N5 C15 . . 83.8(3)
N6 Cu2 N5 C15 . . -180.0(3)
C1 Cu2 N5 C26 . . 124.4(2)
N2 Cu2 N5 C26 . . -96.0(2)
N6 Cu2 N5 C26 . . 0.2(2)
C1 Cu2 N6 C24 . . 67.3(3)
N2 Cu2 N6 C24 . . -71.8(3)
N5 Cu2 N6 C24 . . -177.2(3)
C1 Cu2 N6 C25 . . -117.6(2)
N2 Cu2 N6 C25 . . 103.2(2)
N5 Cu2 N6 C25 . . -2.1(2)
Cu2 C1 N1 Cu1 . . -39(13)
N3 Cu1 N1 C1 . . -177(2)
N4 Cu1 N1 C1 . . 85(2)
S1 Cu1 N1 C1 4_576 . -49(2)
Cu2 N2 C2 S1 . . -66(17)
C14 N3 C3 C4 . . 2.1(6)
Cu1 N3 C3 C4 . . -173.4(3)
N3 C3 C4 C5 . . -1.3(8)
C3 C4 C5 C6 . . -0.3(8)
C4 C5 C6 C14 . . 1.1(7)
C4 C5 C6 C7 . . 179.7(4)
C14 C6 C7 C8 . . -0.4(6)
C5 C6 C7 C8 . . -179.0(4)
C6 C7 C8 C9 . . -0.2(6)
C7 C8 C9 C10 . . 179.7(4)
C7 C8 C9 C13 . . 0.2(5)
C13 C9 C10 C11 . . -0.1(5)
C8 C9 C10 C11 . . -179.7(3)
C9 C10 C11 C12 . . 0.6(5)
C13 N4 C12 C11 . . -0.2(5)
Cu1 N4 C12 C11 . . 173.8(2)
C10 C11 C12 N4 . . -0.4(5)
C12 N4 C13 C9 . . 0.6(4)
Cu1 N4 C13 C9 . . -174.3(2)
C12 N4 C13 C14 . . 179.4(3)
Cu1 N4 C13 C14 . . 4.5(3)
C10 C9 C13 N4 . . -0.5(4)
C8 C9 C13 N4 . . 179.1(3)
C10 C9 C13 C14 . . -179.2(3)
C8 C9 C13 C14 . . 0.3(4)
C3 N3 C14 C6 . . -1.2(5)
Cu1 N3 C14 C6 . . 175.1(3)
C3 N3 C14 C13 . . 178.9(3)
Cu1 N3 C14 C13 . . -4.8(4)
C5 C6 C14 N3 . . -0.3(5)
C7 C6 C14 N3 . . -179.0(3)
C5 C6 C14 C13 . . 179.6(4)
C7 C6 C14 C13 . . 0.9(5)
N4 C13 C14 N3 . . 0.2(4)
C9 C13 C14 N3 . . 179.0(3)
N4 C13 C14 C6 . . -179.7(3)
C9 C13 C14 C6 . . -0.9(4)
C26 N5 C15 C16 . . -0.8(5)
Cu2 N5 C15 C16 . . 179.4(3)
N5 C15 C16 C17 . . -0.3(6)
C15 C16 C17 C18 . . 2.0(6)
C16 C17 C18 C26 . . -2.6(5)
C16 C17 C18 C19 . . 176.6(4)
C26 C18 C19 C20 . . 2.5(5)
C17 C18 C19 C20 . . -176.7(4)
C18 C19 C20 C21 . . -3.5(6)
C19 C20 C21 C22 . . -178.3(4)
C19 C20 C21 C25 . . 1.4(5)
C20 C21 C22 C23 . . 178.7(3)
C25 C21 C22 C23 . . -0.9(5)
C21 C22 C23 C24 . . 0.3(6)
C25 N6 C24 C23 . . -0.6(5)
Cu2 N6 C24 C23 . . 174.2(3)
C22 C23 C24 N6 . . 0.5(6)
C24 N6 C25 C21 . . -0.2(4)
Cu2 N6 C25 C21 . . -175.7(2)
C24 N6 C25 C26 . . 179.4(3)
Cu2 N6 C25 C26 . . 3.9(3)
C22 C21 C25 N6 . . 0.9(5)
C20 C21 C25 N6 . . -178.7(3)
C22 C21 C25 C26 . . -178.7(3)
C20 C21 C25 C26 . . 1.7(4)
C15 N5 C26 C18 . . 0.1(5)
Cu2 N5 C26 C18 . . 180.0(2)
C15 N5 C26 C25 . . -178.1(3)
Cu2 N5 C26 C25 . . 1.8(3)
C17 C18 C26 N5 . . 1.6(5)
C19 C18 C26 N5 . . -177.7(3)
C17 C18 C26 C25 . . 179.7(3)
C19 C18 C26 C25 . . 0.5(5)
N6 C25 C26 N5 . . -3.8(4)
C21 C25 C26 N5 . . 175.8(3)
N6 C25 C26 C18 . . 177.9(3)
C21 C25 C26 C18 . . -2.5(4)
N2 C2 S1 Cu1 . 4_675 163(6)
