#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:54:54 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179546 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/15/4501507.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_4501507
loop_
_publ_author_name
'Li, Ling-Ling'
'Yuan, Rong-Xin'
'Liu, Lei-Lei'
'Ren, Zhi-Gang'
'Zheng, Ai-Xia'
'Cheng, Hong-Jian'
'Li, Hong-Xi'
'Lang, Jian-Ping'
_publ_section_title
;
 Formation of [CuSCN]n-Based Topological Structures via a Family of
 Flexible Benzimidazolyl-Based Linkers with Different Spacer Lengths
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1929
_journal_paper_doi               10.1021/cg100028y
_journal_volume                  10
_journal_year                    2010
_chemical_formula_moiety         'C29 H27 Cu2 N8 S2'
_chemical_formula_sum            'C29 H27 Cu2 N8 S2'
_chemical_formula_weight         678.83
_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                90.53(3)
_cell_angle_beta                 90.05(3)
_cell_angle_gamma                103.81(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5176(19)
_cell_length_b                   11.197(2)
_cell_length_c                   13.924(3)
_cell_measurement_reflns_used    4064
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5398
_cell_measurement_theta_min      3.2156
_cell_volume                     1440.9(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Rigaku MercuryCCD area detector'
_diffrn_measurement_method       ω
_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  0.0527
_diffrn_reflns_av_sigmaI/netI    0.1010
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11947
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.22
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.656
_exptl_absorpt_correction_T_max  0.8519
_exptl_absorpt_correction_T_min  0.7121
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Jacobson, R. (1998) Private communication to Rigaku Company, Tokyo, Japan.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             694
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.186
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         6345
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.186
_refine_ls_R_factor_all          0.1224
_refine_ls_R_factor_gt           0.0855
_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)+(0.0439P)²+0.0595P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1487
_refine_ls_wR_factor_ref         0.1661
_reflns_number_gt                4489
_reflns_number_total             6345
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg100028y_si_001.cif
_cod_data_source_block           '[(CuSCN)4(bbbm)3]n'
_cod_database_code               4501507
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
Cu1 Cu 1.02439(8) 0.31784(6) 0.27225(5) 0.0421(2) Uani 1 1 d .
Cu2 Cu 0.96573(8) 0.19870(7) 0.59604(6) 0.0486(3) Uani 1 1 d .
S1 S 1.06490(18) 0.22603(13) 0.41806(11) 0.0423(4) Uani 1 1 d .
S2 S 1.15532(17) 0.32664(14) 0.67210(12) 0.0445(4) Uani 1 1 d .
N1 N 1.2275(5) 0.4131(4) 0.2279(3) 0.0400(12) Uani 1 1 d .
N2 N 1.4209(5) 0.5681(4) 0.2041(3) 0.0367(11) Uani 1 1 d .
N6 N 0.6012(5) 0.2969(4) 0.4930(3) 0.0390(12) Uani 1 1 d .
N5 N 0.7710(5) 0.2333(4) 0.5757(3) 0.0418(12) Uani 1 1 d .
C1 C 1.3421(6) 0.3658(5) 0.1991(4) 0.0354(13) Uani 1 1 d .
C2 C 1.3505(7) 0.2434(5) 0.1881(4) 0.0441(15) Uani 1 1 d .
H2 H 1.2698 0.1777 0.1984 0.053 Uiso 1 1 calc R
C3 C 1.4807(9) 0.2237(6) 0.1618(5) 0.0583(19) Uani 1 1 d .
H3 H 1.4891 0.1422 0.1536 0.070 Uiso 1 1 calc R
C4 C 1.6033(8) 0.3201(7) 0.1465(5) 0.0588(19) Uani 1 1 d .
H4 H 1.6909 0.3014 0.1287 0.071 Uiso 1 1 calc R
C5 C 1.5977(7) 0.4420(6) 0.1570(4) 0.0510(17) Uani 1 1 d .
H5 H 1.6792 0.5069 0.1468 0.061 Uiso 1 1 calc R
C6 C 1.4655(6) 0.4629(5) 0.1833(4) 0.0386(14) Uani 1 1 d .
C7 C 1.2813(6) 0.5330(5) 0.2296(4) 0.0400(14) Uani 1 1 d .
H7 H 1.2264 0.5892 0.2471 0.048 Uiso 1 1 calc R
C8 C 1.5057(6) 0.6940(5) 0.1955(4) 0.0398(14) Uani 1 1 d .
H8A H 1.6054 0.6984 0.2158 0.048 Uiso 1 1 calc R
H8B H 1.4658 0.7473 0.2386 0.048 Uiso 1 1 calc R
C9 C 1.5063(6) 0.7412(5) 0.0932(4) 0.0406(14) Uani 1 1 d .
H9A H 1.4067 0.7367 0.0726 0.049 Uiso 1 1 calc R
H9B H 1.5471 0.6886 0.0500 0.049 Uiso 1 1 calc R
C10 C 1.5955(6) 0.8745(5) 0.0861(4) 0.0415(14) Uani 1 1 d .
H10A H 1.5712 0.9096 0.0259 0.050 Uiso 1 1 calc R
H10B H 1.5687 0.9227 0.1391 0.050 Uiso 1 1 calc R
C19 C 0.6358(6) 0.1568(5) 0.5966(4) 0.0352(13) Uani 1 1 d .
C20 C 0.5969(6) 0.0521(5) 0.6527(4) 0.0411(14) Uani 1 1 d .
H20 H 0.6667 0.0236 0.6877 0.049 Uiso 1 1 calc R
C21 C 0.4536(7) -0.0082(6) 0.6556(4) 0.0481(16) Uani 1 1 d .
H21 H 0.4254 -0.0794 0.6929 0.058 Uiso 1 1 calc R
C22 C 0.3484(7) 0.0336(6) 0.6045(4) 0.0490(16) Uani 1 1 d .
H22 H 0.2512 -0.0102 0.6082 0.059 Uiso 1 1 calc R
C23 C 0.3838(6) 0.1362(6) 0.5496(4) 0.0457(15) Uani 1 1 d .
H23 H 0.3132 0.1643 0.5152 0.055 Uiso 1 1 calc R
C24 C 0.5291(6) 0.1977(5) 0.5467(4) 0.0374(14) Uani 1 1 d .
C25 C 0.7438(7) 0.3126(6) 0.5141(4) 0.0469(16) Uani 1 1 d .
H25 H 0.8165 0.3749 0.4870 0.056 Uiso 1 1 calc R
C26 C 0.5372(7) 0.3655(6) 0.4228(4) 0.0521(17) Uani 1 1 d .
H26A H 0.4715 0.3069 0.3808 0.062 Uiso 1 1 calc R
H26B H 0.6145 0.4137 0.3828 0.062 Uiso 1 1 calc R
C27 C 0.4543(7) 0.4516(5) 0.4684(4) 0.0490(16) Uani 1 1 d .
H27A H 0.4118 0.4916 0.4175 0.059 Uiso 1 1 calc R
H27B H 0.3748 0.4030 0.5066 0.059 Uiso 1 1 calc R
C28 C 1.0563(6) 0.0801(5) 0.3948(4) 0.0360(13) Uani 1 1 d .
C29 C 1.1012(6) 0.4554(5) 0.6883(4) 0.0381(14) Uani 1 1 d .
N3 N 1.8367(5) 1.0145(4) 0.0975(3) 0.0366(11) Uani 1 1 d .
N4 N 1.9463(5) 1.1909(4) 0.1691(3) 0.0377(12) Uani 1 1 d .
C17 C 1.9390(6) 1.2108(5) 0.0706(4) 0.0340(13) Uani 1 1 d .
C16 C 1.9884(6) 1.3173(5) 0.0179(4) 0.0422(15) Uani 1 1 d .
H16 H 2.0365 1.3915 0.0476 0.051 Uiso 1 1 calc R
C15 C 1.9640(7) 1.3097(6) -0.0796(5) 0.0533(18) Uani 1 1 d .
H15 H 1.9949 1.3808 -0.1167 0.064 Uiso 1 1 calc R
C14 C 1.8947(7) 1.1993(6) -0.1256(4) 0.0521(17) Uani 1 1 d .
H14 H 1.8823 1.1976 -0.1926 0.063 Uiso 1 1 calc R
C13 C 1.8445(7) 1.0937(5) -0.0740(4) 0.0449(15) Uani 1 1 d .
H13 H 1.7966 1.0198 -0.1043 0.054 Uiso 1 1 calc R
C12 C 1.8675(6) 1.1003(5) 0.0252(4) 0.0329(12) Uani 1 1 d .
C18 C 1.8857(6) 1.0732(5) 0.1801(4) 0.0409(14) Uani 1 1 d .
H18 H 1.8774 1.0340 0.2399 0.049 Uiso 1 1 calc R
C11 C 1.7567(6) 0.8859(5) 0.0895(4) 0.0410(14) Uani 1 1 d .
H11A H 1.7800 0.8402 0.1446 0.049 Uiso 1 1 calc R
H11B H 1.7867 0.8493 0.0311 0.049 Uiso 1 1 calc R
N8 N 1.0475(5) -0.0233(4) 0.3824(3) 0.0440(13) Uani 1 1 d .
N7 N 1.0694(6) 0.5465(5) 0.7010(4) 0.0489(14) 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
N7 Cu1 N4 120.8(2) 2_766 1_445
N7 Cu1 N1 101.4(2) 2_766 .
N4 Cu1 N1 106.84(19) 1_445 .
N7 Cu1 S1 109.28(16) 2_766 .
N4 Cu1 S1 111.90(14) 1_445 .
N1 Cu1 S1 104.93(14) . .
N8 Cu2 N5 112.0(2) 2_756 .
N8 Cu2 S2 114.05(15) 2_756 .
N5 Cu2 S2 125.15(14) . .
N8 Cu2 S1 101.75(15) 2_756 .
N5 Cu2 S1 99.52(15) . .
S2 Cu2 S1 98.64(7) . .
C28 S1 Cu1 107.2(2) . .
C28 S1 Cu2 97.4(2) . .
Cu1 S1 Cu2 140.43(7) . .
C29 S2 Cu2 104.0(2) . .
C7 N1 C1 104.1(5) . .
C7 N1 Cu1 127.7(4) . .
C1 N1 Cu1 128.0(4) . .
C7 N2 C6 106.9(5) . .
C7 N2 C8 126.2(5) . .
C6 N2 C8 126.9(5) . .
C25 N6 C24 106.0(5) . .
C25 N6 C26 127.1(5) . .
C24 N6 C26 126.9(5) . .
C25 N5 C19 104.8(5) . .
C25 N5 Cu2 124.6(4) . .
C19 N5 Cu2 127.6(4) . .
N1 C1 C2 129.9(5) . .
N1 C1 C6 109.8(5) . .
C2 C1 C6 120.3(6) . .
C3 C2 C1 117.0(6) . .
C3 C2 H2 121.5 . .
C1 C2 H2 121.5 . .
C2 C3 C4 122.7(6) . .
C2 C3 H3 118.7 . .
C4 C3 H3 118.7 . .
C5 C4 C3 121.4(6) . .
C5 C4 H4 119.3 . .
C3 C4 H4 119.3 . .
C6 C5 C4 116.3(6) . .
C6 C5 H5 121.8 . .
C4 C5 H5 121.8 . .
N2 C6 C5 132.8(6) . .
N2 C6 C1 104.8(5) . .
C5 C6 C1 122.3(6) . .
N1 C7 N2 114.4(5) . .
N1 C7 H7 122.8 . .
N2 C7 H7 122.8 . .
N2 C8 C9 112.2(4) . .
N2 C8 H8A 109.2 . .
C9 C8 H8A 109.2 . .
N2 C8 H8B 109.2 . .
C9 C8 H8B 109.2 . .
H8A C8 H8B 107.9 . .
C8 C9 C10 111.2(4) . .
C8 C9 H9A 109.4 . .
C10 C9 H9A 109.4 . .
C8 C9 H9B 109.4 . .
C10 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
C11 C10 C9 113.3(5) . .
C11 C10 H10A 108.9 . .
C9 C10 H10A 108.9 . .
C11 C10 H10B 108.9 . .
C9 C10 H10B 108.9 . .
H10A C10 H10B 107.7 . .
C20 C19 C24 119.6(6) . .
C20 C19 N5 131.3(5) . .
C24 C19 N5 109.1(5) . .
C21 C20 C19 118.0(6) . .
C21 C20 H20 121.0 . .
C19 C20 H20 121.0 . .
C20 C21 C22 121.7(6) . .
C20 C21 H21 119.2 . .
C22 C21 H21 119.2 . .
C23 C22 C21 121.4(6) . .
C23 C22 H22 119.3 . .
C21 C22 H22 119.3 . .
C22 C23 C24 117.0(6) . .
C22 C23 H23 121.5 . .
C24 C23 H23 121.5 . .
N6 C24 C23 131.2(6) . .
N6 C24 C19 106.1(5) . .
C23 C24 C19 122.4(6) . .
N5 C25 N6 114.0(6) . .
N5 C25 H25 123.0 . .
N6 C25 H25 123.0 . .
N6 C26 C27 113.5(5) . .
N6 C26 H26A 108.9 . .
C27 C26 H26A 108.9 . .
N6 C26 H26B 108.9 . .
C27 C26 H26B 108.9 . .
H26A C26 H26B 107.7 . .
C27 C27 C26 113.6(7) 2_666 .
C27 C27 H27A 108.9 2_666 .
C26 C27 H27A 108.9 . .
C27 C27 H27B 108.9 2_666 .
C26 C27 H27B 108.9 . .
H27A C27 H27B 107.7 . .
N8 C28 S1 177.0(5) . .
N7 C29 S2 177.2(6) . .
C18 N3 C12 107.1(4) . .
C18 N3 C11 125.2(5) . .
C12 N3 C11 127.6(5) . .
C18 N4 C17 104.9(4) . .
C18 N4 Cu1 127.9(4) . 1_665
C17 N4 Cu1 127.1(4) . 1_665
C16 C17 N4 130.3(5) . .
C16 C17 C12 120.8(5) . .
N4 C17 C12 109.0(5) . .
C15 C16 C17 117.3(5) . .
C15 C16 H16 121.3 . .
C17 C16 H16 121.3 . .
C16 C15 C14 122.2(6) . .
C16 C15 H15 118.9 . .
C14 C15 H15 118.9 . .
C13 C14 C15 120.9(6) . .
C13 C14 H14 119.5 . .
C15 C14 H14 119.5 . .
C14 C13 C12 117.5(6) . .
C14 C13 H13 121.3 . .
C12 C13 H13 121.3 . .
N3 C12 C13 133.3(5) . .
N3 C12 C17 105.4(5) . .
C13 C12 C17 121.3(5) . .
N4 C18 N3 113.6(5) . .
N4 C18 H18 123.2 . .
N3 C18 H18 123.2 . .
N3 C11 C10 111.4(5) . .
N3 C11 H11A 109.4 . .
C10 C11 H11A 109.4 . .
N3 C11 H11B 109.4 . .
C10 C11 H11B 109.4 . .
H11A C11 H11B 108.0 . .
C28 N8 Cu2 162.6(5) . 2_756
C29 N7 Cu1 168.5(5) . 2_766
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N7 1.970(5) 2_766
Cu1 N4 2.023(4) 1_445
Cu1 N1 2.071(5) .
Cu1 S1 2.3566(18) .
Cu2 N8 1.964(5) 2_756
Cu2 N5 2.002(5) .
Cu2 S2 2.2725(19) .
Cu2 S1 2.6469(19) .
S1 C28 1.645(6) .
S2 C29 1.656(6) .
N1 C7 1.317(6) .
N1 C1 1.380(7) .
N2 C7 1.341(7) .
N2 C6 1.373(7) .
N2 C8 1.454(6) .
N6 C25 1.358(7) .
N6 C24 1.384(7) .
N6 C26 1.467(7) .
N5 C25 1.310(7) .
N5 C19 1.398(7) .
C1 C2 1.399(7) .
C1 C6 1.416(7) .
C2 C3 1.359(8) .
C2 H2 0.9400 .
C3 C4 1.406(9) .
C3 H3 0.9400 .
C4 C5 1.385(8) .
C4 H4 0.9400 .
C5 C6 1.382(8) .
C5 H5 0.9400 .
C7 H7 0.9400 .
C8 C9 1.524(7) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C9 C10 1.536(7) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C10 C11 1.509(7) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C19 C20 1.390(7) .
C19 C24 1.396(7) .
C20 C21 1.370(8) .
C20 H20 0.9400 .
C21 C22 1.398(8) .
C21 H21 0.9400 .
C22 C23 1.360(8) .
C22 H22 0.9400 .
C23 C24 1.391(8) .
C23 H23 0.9400 .
C25 H25 0.9400 .
C26 C27 1.519(8) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C27 C27 1.495(11) 2_666
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C28 N8 1.152(6) .
C29 N7 1.144(7) .
N3 C18 1.345(6) .
N3 C12 1.381(6) .
N3 C11 1.463(6) .
N4 C18 1.317(6) .
N4 C17 1.395(6) .
N4 Cu1 2.023(4) 1_665
C17 C16 1.389(7) .
C17 C12 1.406(7) .
C16 C15 1.375(8) .
C16 H16 0.9400 .
C15 C14 1.403(8) .
C15 H15 0.9400 .
C14 C13 1.375(8) .
C14 H14 0.9400 .
C13 C12 1.397(7) .
C13 H13 0.9400 .
C18 H18 0.9400 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
N8 Cu2 1.964(5) 2_756
N7 Cu1 1.970(5) 2_766
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_4
N7 Cu1 S1 C28 149.6(3) 2_766 .
N4 Cu1 S1 C28 13.1(3) 1_445 .
N1 Cu1 S1 C28 -102.4(2) . .
N7 Cu1 S1 Cu2 23.62(19) 2_766 .
N4 Cu1 S1 Cu2 -112.87(17) 1_445 .
N1 Cu1 S1 Cu2 131.64(16) . .
N8 Cu2 S1 C28 6.3(2) 2_756 .
N5 Cu2 S1 C28 -108.8(2) . .
S2 Cu2 S1 C28 123.2(2) . .
N8 Cu2 S1 Cu1 135.08(17) 2_756 .
N5 Cu2 S1 Cu1 20.01(18) . .
S2 Cu2 S1 Cu1 -108.01(11) . .
N8 Cu2 S2 C29 -153.4(3) 2_756 .
N5 Cu2 S2 C29 -8.6(3) . .
S1 Cu2 S2 C29 99.6(2) . .
N7 Cu1 N1 C7 7.3(5) 2_766 .
N4 Cu1 N1 C7 134.6(5) 1_445 .
S1 Cu1 N1 C7 -106.4(5) . .
N7 Cu1 N1 C1 -179.8(5) 2_766 .
N4 Cu1 N1 C1 -52.4(5) 1_445 .
S1 Cu1 N1 C1 66.5(5) . .
N8 Cu2 N5 C25 -141.4(5) 2_756 .
S2 Cu2 N5 C25 73.2(5) . .
S1 Cu2 N5 C25 -34.5(5) . .
N8 Cu2 N5 C19 15.8(5) 2_756 .
S2 Cu2 N5 C19 -129.6(4) . .
S1 Cu2 N5 C19 122.7(4) . .
C7 N1 C1 C2 177.3(6) . .
Cu1 N1 C1 C2 3.0(9) . .
C7 N1 C1 C6 -0.3(6) . .
Cu1 N1 C1 C6 -174.6(4) . .
N1 C1 C2 C3 -177.5(6) . .
C6 C1 C2 C3 -0.2(8) . .
C1 C2 C3 C4 0.4(9) . .
C2 C3 C4 C5 -0.3(10) . .
C3 C4 C5 C6 0.1(9) . .
C7 N2 C6 C5 -177.3(6) . .
C8 N2 C6 C5 5.7(10) . .
C7 N2 C6 C1 -0.3(6) . .
C8 N2 C6 C1 -177.3(5) . .
C4 C5 C6 N2 176.7(6) . .
C4 C5 C6 C1 0.2(9) . .
N1 C1 C6 N2 0.4(6) . .
C2 C1 C6 N2 -177.5(5) . .
N1 C1 C6 C5 177.8(5) . .
C2 C1 C6 C5 -0.1(8) . .
C1 N1 C7 N2 0.1(6) . .
Cu1 N1 C7 N2 174.4(4) . .
C6 N2 C7 N1 0.1(7) . .
C8 N2 C7 N1 177.2(5) . .
C7 N2 C8 C9 -94.0(7) . .
C6 N2 C8 C9 82.5(7) . .
N2 C8 C9 C10 179.6(5) . .
C8 C9 C10 C11 75.0(6) . .
C25 N5 C19 C20 175.9(6) . .
Cu2 N5 C19 C20 15.2(9) . .
C25 N5 C19 C24 -1.8(6) . .
Cu2 N5 C19 C24 -162.6(4) . .
C24 C19 C20 C21 0.9(8) . .
N5 C19 C20 C21 -176.6(5) . .
C19 C20 C21 C22 -0.4(9) . .
C20 C21 C22 C23 0.0(9) . .
C21 C22 C23 C24 -0.1(9) . .
C25 N6 C24 C23 -175.7(6) . .
C26 N6 C24 C23 0.7(10) . .
C25 N6 C24 C19 -1.4(6) . .
C26 N6 C24 C19 174.9(5) . .
C22 C23 C24 N6 174.1(5) . .
C22 C23 C24 C19 0.7(9) . .
C20 C19 C24 N6 -176.0(5) . .
N5 C19 C24 N6 2.0(6) . .
C20 C19 C24 C23 -1.1(8) . .
N5 C19 C24 C23 176.9(5) . .
C19 N5 C25 N6 1.0(7) . .
Cu2 N5 C25 N6 162.4(4) . .
C24 N6 C25 N5 0.3(7) . .
C26 N6 C25 N5 -176.0(5) . .
C25 N6 C26 C27 -109.4(7) . .
C24 N6 C26 C27 75.0(7) . .
N6 C26 C27 C27 60.8(9) . 2_666
Cu1 S1 C28 N8 -144(10) . .
Cu2 S1 C28 N8 5(10) . .
Cu2 S2 C29 N7 -177(100) . .
C18 N4 C17 C16 -178.8(6) . .
Cu1 N4 C17 C16 3.9(9) 1_665 .
C18 N4 C17 C12 1.7(6) . .
Cu1 N4 C17 C12 -175.6(4) 1_665 .
N4 C17 C16 C15 -179.2(6) . .
C12 C17 C16 C15 0.2(9) . .
C17 C16 C15 C14 -1.1(10) . .
C16 C15 C14 C13 1.6(11) . .
C15 C14 C13 C12 -1.0(10) . .
C18 N3 C12 C13 179.2(6) . .
C11 N3 C12 C13 -5.0(10) . .
C18 N3 C12 C17 0.9(6) . .
C11 N3 C12 C17 176.8(5) . .
C14 C13 C12 N3 -177.9(6) . .
C14 C13 C12 C17 0.1(9) . .
C16 C17 C12 N3 178.8(5) . .
N4 C17 C12 N3 -1.6(6) . .
C16 C17 C12 C13 0.3(9) . .
N4 C17 C12 C13 179.8(5) . .
C17 N4 C18 N3 -1.1(7) . .
Cu1 N4 C18 N3 176.1(4) 1_665 .
C12 N3 C18 N4 0.1(7) . .
C11 N3 C18 N4 -175.8(5) . .
C18 N3 C11 C10 96.3(7) . .
C12 N3 C11 C10 -78.8(7) . .
C9 C10 C11 N3 -171.2(5) . .
S1 C28 N8 Cu2 -26(11) . 2_756
S2 C29 N7 Cu1 -146(10) . 2_766
