#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/62/2016228.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_2016228
loop_
_publ_author_name
'Ye, E'
'Wu, Ben-Lai'
'Niu, Yun-Yin'
'Zhang, Hong-Yun'
'Hou, Hong-Wei'
_publ_section_title
catena-Poly[[bis[5-(4-pyridyl-κN)-2-(2-pyridylmethylsulfanyl)-1,3,4-oxadiazole]cadmium(II)]-di-μ-thiocyanato-κ²N:S;κ²S:N]
_journal_coeditor_code           BG3050
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m484
_journal_page_last               m486
_journal_paper_doi               10.1107/S0108270107046288
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd (N C S)2 (C13 H10 N4 O S)2]'
_chemical_formula_moiety         'C28 H20 Cd N10 O2 S4'
_chemical_formula_sum            'C28 H20 Cd N10 O2 S4'
_chemical_formula_weight         769.18
_chemical_name_systematic
;
catena-Poly[[bis[5-(4-pyridyl-\kN)-2-(2-pyridylmethylsulfanyl)-1,3,4-\
oxadiazole]cadmium(II)]-diμ-thiocyanato-κ²N:S;κ²S:N]
;
_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                104.686(4)
_cell_angle_beta                 93.920(5)
_cell_angle_gamma                105.202(3)
_cell_formula_units_Z            2
_cell_length_a                   7.8868(13)
_cell_length_b                   11.1060(18)
_cell_length_c                   19.050(4)
_cell_measurement_reflns_used    1434
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.53
_cell_volume                     1541.3(5)
_computing_cell_refinement       'SAINT (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1994)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1994)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Siemens SMART CCD'
_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  0.0146
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            11469
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  0.8868
_exptl_absorpt_correction_T_min  0.6281
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.211
_refine_diff_density_min         -0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5695
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0234
_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)+(0.0215P)²+0.5618P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0505
_refine_ls_wR_factor_ref         0.0536
_reflns_number_gt                4955
_reflns_number_total             5756
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bg3050.cif
_cod_data_source_block           I
_cod_original_cell_volume        1541.2(5)
_cod_database_code               2016228
_cod_database_fobs_code          2016228
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cd Cd1 0.28131(2) 0.238922(14) 0.494519(8) 0.03671(6) Uani d . 1
S S1 0.63962(8) -0.16775(6) 0.02115(3) 0.04457(14) Uani d . 1
S S2 0.14998(8) 0.69266(6) 1.00176(3) 0.04411(14) Uani d . 1
S S3 0.05369(8) -0.16342(6) 0.57902(3) 0.04660(15) Uani d . 1
S S4 0.36063(8) 0.66414(6) 0.43973(4) 0.04900(15) Uani d . 1
O O1 0.5671(2) -0.07891(14) 0.15504(8) 0.0401(4) Uani d . 1
O O2 0.1917(2) 0.60210(14) 0.86397(8) 0.0396(3) Uani d . 1
N N1 0.3880(2) 0.10997(17) 0.39976(9) 0.0385(4) Uani d . 1
N N2 0.5591(3) -0.23645(18) 0.20743(10) 0.0457(5) Uani d . 1
N N3 0.6006(3) -0.27639(18) 0.13600(10) 0.0460(5) Uani d . 1
N N4 0.6614(3) -0.2659(2) -0.12716(11) 0.0547(5) Uani d . 1
N N5 0.2303(2) 0.37982(17) 0.60142(9) 0.0391(4) Uani d . 1
N N6 0.1883(3) 0.75943(18) 0.81254(10) 0.0467(5) Uani d . 1
N N7 0.1723(3) 0.80373(18) 0.88757(10) 0.0476(5) Uani d . 1
N N8 0.1027(3) 0.77607(19) 1.14823(11) 0.0482(5) Uani d . 1
N N9 0.2141(3) 0.07060(18) 0.54816(10) 0.0463(5) Uani d . 1
N N10 0.3172(3) 0.40427(18) 0.43687(10) 0.0473(5) Uani d . 1
C C1 0.4569(3) 0.1603(2) 0.34775(13) 0.0496(6) Uani d . 1
H H1 0.4687 0.2476 0.3524 0.059 Uiso calc R 1
C C2 0.5112(3) 0.0899(2) 0.28772(13) 0.0479(6) Uani d . 1
H H2 0.5584 0.1292 0.2528 0.057 Uiso calc R 1
C C3 0.4947(3) -0.0399(2) 0.28003(11) 0.0357(5) Uani d . 1
C C4 0.4280(3) -0.0923(2) 0.33454(12) 0.0427(5) Uani d . 1
H H4 0.4178 -0.1788 0.3318 0.051 Uiso calc R 1
C C5 0.3770(3) -0.0150(2) 0.39294(12) 0.0424(5) Uani d . 1
H H5 0.3328 -0.0512 0.4293 0.051 Uiso calc R 1
C C6 0.5414(3) -0.1218(2) 0.21601(11) 0.0368(5) Uani d . 1
C C7 0.6034(3) -0.1814(2) 0.10807(12) 0.0384(5) Uani d . 1
C C8 0.6399(3) -0.3348(2) -0.01680(13) 0.0493(6) Uani d . 1
H H8A 0.7298 -0.3538 0.0124 0.059 Uiso calc R 1
H H8B 0.5254 -0.3932 -0.0155 0.059 Uiso calc R 1
C C9 0.6775(3) -0.3560(2) -0.09465(12) 0.0414(5) Uani d . 1
C C10 0.7233(3) -0.4657(2) -0.12957(14) 0.0536(6) Uani d . 1
H H10 0.7364 -0.5256 -0.1048 0.064 Uiso calc R 1
C C11 0.7489(4) -0.4846(3) -0.20202(15) 0.0667(8) Uani d . 1
H H11 0.7769 -0.5587 -0.2272 0.080 Uiso calc R 1
C C12 0.7329(4) -0.3936(3) -0.23641(15) 0.0669(8) Uani d . 1
H H12 0.7501 -0.4041 -0.2852 0.080 Uiso calc R 1
C C13 0.6909(4) -0.2863(3) -0.19721(14) 0.0662(8) Uani d . 1
H H13 0.6823 -0.2236 -0.2206 0.079 Uiso calc R 1
C C14 0.1740(3) 0.4841(2) 0.60249(12) 0.0463(6) Uani d . 1
H H14 0.1413 0.4978 0.5580 0.056 Uiso calc R 1
C C15 0.1623(3) 0.5719(2) 0.66606(12) 0.0459(6) Uani d . 1
H H15 0.1233 0.6434 0.6644 0.055 Uiso calc R 1
C C16 0.2097(3) 0.5517(2) 0.73299(11) 0.0357(5) Uani d . 1
C C17 0.2673(3) 0.4439(2) 0.73271(12) 0.0399(5) Uani d . 1
H H17 0.2996 0.4275 0.7765 0.048 Uiso calc R 1
C C18 0.2756(3) 0.3614(2) 0.66618(12) 0.0418(5) Uani d . 1
H H18 0.3146 0.2894 0.6663 0.050 Uiso calc R 1
C C19 0.1975(3) 0.6422(2) 0.80140(11) 0.0372(5) Uani d . 1
C C20 0.1738(3) 0.7084(2) 0.91447(11) 0.0389(5) Uani d . 1
C C21 0.1475(4) 0.8584(2) 1.04240(12) 0.0491(6) Uani d . 1
H H21A 0.2644 0.9178 1.0457 0.059 Uiso calc R 1
H H21B 0.0638 0.8807 1.0119 0.059 Uiso calc R 1
C C22 0.0945(3) 0.8708(2) 1.11793(12) 0.0412(5) Uani d . 1
C C23 0.0405(3) 0.9770(2) 1.15250(13) 0.0498(6) Uani d . 1
H H23 0.0338 1.0400 1.1291 0.060 Uiso calc R 1
C C24 -0.0031(3) 0.9878(3) 1.22224(13) 0.0546(7) Uani d . 1
H H24 -0.0372 1.0592 1.2471 0.066 Uiso calc R 1
C C25 0.0047(3) 0.8915(3) 1.25428(13) 0.0542(7) Uani d . 1
H H25 -0.0245 0.8961 1.3012 0.065 Uiso calc R 1
C C26 0.0566(3) 0.7878(3) 1.21532(14) 0.0552(7) Uani d . 1
H H26 0.0597 0.7221 1.2370 0.066 Uiso calc R 1
C C27 0.1457(3) -0.0266(2) 0.55996(11) 0.0337(5) Uani d . 1
C C28 0.3365(3) 0.5119(2) 0.43828(11) 0.0359(5) 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'
O O 0.0106 0.0060 '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'
Cd Cd -0.8075 1.2024 '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_1
_geom_angle_site_symmetry_3
_geom_angle
N9 Cd1 N10 . . 173.99(7)
N9 Cd1 N1 . . 90.09(7)
N10 Cd1 N1 . . 91.76(7)
N9 Cd1 N5 . . 89.47(7)
N10 Cd1 N5 . . 89.80(7)
N1 Cd1 N5 . . 169.02(6)
N9 Cd1 S3 . 2_556 91.71(5)
N10 Cd1 S3 . 2_556 82.45(5)
N1 Cd1 S3 . 2_556 93.93(5)
N5 Cd1 S3 . 2_556 97.05(5)
N9 Cd1 S4 . 2_666 94.70(5)
N10 Cd1 S4 . 2_666 91.17(5)
N1 Cd1 S4 . 2_666 84.64(5)
N5 Cd1 S4 . 2_666 84.46(5)
S3 Cd1 S4 2_556 2_666 173.430(18)
C7 S1 C8 . . 95.82(10)
C20 S2 C21 . . 96.03(10)
C27 S3 Cd1 . 2_556 102.98(8)
C28 S4 Cd1 . 2_666 96.46(8)
C7 O1 C6 . . 101.94(16)
C20 O2 C19 . . 102.03(16)
C1 N1 C5 . . 117.10(19)
C1 N1 Cd1 . . 119.43(15)
C5 N1 Cd1 . . 123.41(14)
C6 N2 N3 . . 106.57(17)
C7 N3 N2 . . 105.71(17)
C9 N4 C13 . . 116.8(2)
C18 N5 C14 . . 117.37(19)
C18 N5 Cd1 . . 117.87(14)
C14 N5 Cd1 . . 124.47(14)
C19 N6 N7 . . 106.45(17)
C20 N7 N6 . . 105.78(17)
C22 N8 C26 . . 116.8(2)
C27 N9 Cd1 . . 162.39(17)
C28 N10 Cd1 . . 151.60(17)
N1 C1 C2 . . 123.5(2)
N1 C1 H1 . . 118.2
C2 C1 H1 . . 118.2
C1 C2 C3 . . 119.0(2)
C1 C2 H2 . . 120.5
C3 C2 H2 . . 120.5
C2 C3 C4 . . 118.0(2)
C2 C3 C6 . . 121.88(19)
C4 C3 C6 . . 120.07(19)
C5 C4 C3 . . 119.3(2)
C5 C4 H4 . . 120.4
C3 C4 H4 . . 120.4
N1 C5 C4 . . 123.0(2)
N1 C5 H5 . . 118.5
C4 C5 H5 . . 118.5
N2 C6 O1 . . 112.66(18)
N2 C6 C3 . . 127.78(19)
O1 C6 C3 . . 119.53(18)
N3 C7 O1 . . 113.12(19)
N3 C7 S1 . . 130.00(17)
O1 C7 S1 . . 116.85(16)
C9 C8 S1 . . 109.86(16)
C9 C8 H8A . . 109.7
S1 C8 H8A . . 109.7
C9 C8 H8B . . 109.7
S1 C8 H8B . . 109.7
H8A C8 H8B . . 108.2
N4 C9 C10 . . 123.0(2)
N4 C9 C8 . . 116.7(2)
C10 C9 C8 . . 120.3(2)
C11 C10 C9 . . 118.5(3)
C11 C10 H10 . . 120.7
C9 C10 H10 . . 120.7
C12 C11 C10 . . 119.4(3)
C12 C11 H11 . . 120.3
C10 C11 H11 . . 120.3
C11 C12 C13 . . 118.2(3)
C11 C12 H12 . . 120.9
C13 C12 H12 . . 120.9
N4 C13 C12 . . 124.1(3)
N4 C13 H13 . . 118.0
C12 C13 H13 . . 118.0
N5 C14 C15 . . 123.3(2)
N5 C14 H14 . . 118.3
C15 C14 H14 . . 118.3
C14 C15 C16 . . 118.7(2)
C14 C15 H15 . . 120.6
C16 C15 H15 . . 120.6
C17 C16 C15 . . 118.56(19)
C17 C16 C19 . . 121.25(19)
C15 C16 C19 . . 120.19(19)
C18 C17 C16 . . 118.6(2)
C18 C17 H17 . . 120.7
C16 C17 H17 . . 120.7
N5 C18 C17 . . 123.4(2)
N5 C18 H18 . . 118.3
C17 C18 H18 . . 118.3
N6 C19 O2 . . 112.60(18)
N6 C19 C16 . . 128.50(19)
O2 C19 C16 . . 118.88(18)
N7 C20 O2 . . 113.12(18)
N7 C20 S2 . . 130.68(17)
O2 C20 S2 . . 116.17(15)
C22 C21 S2 . . 109.31(16)
C22 C21 H21A . . 109.8
S2 C21 H21A . . 109.8
C22 C21 H21B . . 109.8
S2 C21 H21B . . 109.8
H21A C21 H21B . . 108.3
N8 C22 C23 . . 123.1(2)
N8 C22 C21 . . 117.0(2)
C23 C22 C21 . . 119.9(2)
C24 C23 C22 . . 118.8(2)
C24 C23 H23 . . 120.6
C22 C23 H23 . . 120.6
C25 C24 C23 . . 118.9(2)
C25 C24 H24 . . 120.5
C23 C24 H24 . . 120.5
C24 C25 C26 . . 118.4(2)
C24 C25 H25 . . 120.8
C26 C25 H25 . . 120.8
N8 C26 C25 . . 123.9(2)
N8 C26 H26 . . 118.1
C25 C26 H26 . . 118.1
N9 C27 S3 . . 178.1(2)
N10 C28 S4 . . 179.1(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cd1 N9 . 2.3115(19) yes
Cd1 N10 . 2.3348(19) yes
Cd1 N1 . 2.3550(17) yes
Cd1 N5 . 2.3630(18) yes
Cd1 S3 2_556 2.7172(7) yes
Cd1 S4 2_666 2.8180(8) yes
S1 C7 . 1.736(2) ?
S1 C8 . 1.813(2) ?
S2 C20 . 1.733(2) ?
S2 C21 . 1.813(2) ?
S3 C27 . 1.644(2) ?
S3 Cd1 2_556 2.7172(7) ?
S4 C28 . 1.644(2) ?
S4 Cd1 2_666 2.8180(8) ?
O1 C7 . 1.366(2) ?
O1 C6 . 1.371(2) ?
O2 C20 . 1.367(2) ?
O2 C19 . 1.373(2) ?
N1 C1 . 1.336(3) ?
N1 C5 . 1.340(3) ?
N2 C6 . 1.287(3) ?
N2 N3 . 1.409(2) ?
N3 C7 . 1.293(3) ?
N4 C9 . 1.330(3) ?
N4 C13 . 1.343(3) ?
N5 C18 . 1.341(3) ?
N5 C14 . 1.341(3) ?
N6 C19 . 1.287(3) ?
N6 N7 . 1.415(2) ?
N7 C20 . 1.290(3) ?
N8 C22 . 1.335(3) ?
N8 C26 . 1.337(3) ?
N9 C27 . 1.158(3) ?
N10 C28 . 1.158(3) ?
C1 C2 . 1.375(3) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.382(3) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.383(3) ?
C3 C6 . 1.458(3) ?
C4 C5 . 1.377(3) ?
C4 H4 . 0.9300 ?
C5 H5 . 0.9300 ?
C8 C9 . 1.504(3) ?
C8 H8A . 0.9700 ?
C8 H8B . 0.9700 ?
C9 C10 . 1.382(3) ?
C10 C11 . 1.380(4) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.363(4) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.370(4) ?
C12 H12 . 0.9300 ?
C13 H13 . 0.9300 ?
C14 C15 . 1.375(3) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.393(3) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.386(3) ?
C16 C19 . 1.457(3) ?
C17 C18 . 1.380(3) ?
C17 H17 . 0.9300 ?
C18 H18 . 0.9300 ?
C21 C22 . 1.509(3) ?
C21 H21A . 0.9700 ?
C21 H21B . 0.9700 ?
C22 C23 . 1.383(3) ?
C23 C24 . 1.379(3) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.371(4) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.379(3) ?
C25 H25 . 0.9300 ?
C26 H26 . 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_site_symmetry_1
_geom_torsion
N9 Cd1 N1 C1 . -177.81(18)
N10 Cd1 N1 C1 . 7.92(18)
N5 Cd1 N1 C1 . -90.1(4)
S3 Cd1 N1 C1 2_556 90.47(17)
S4 Cd1 N1 C1 2_666 -83.10(17)
N9 Cd1 N1 C5 . 5.12(18)
N10 Cd1 N1 C5 . -169.16(18)
N5 Cd1 N1 C5 . 92.8(3)
S3 Cd1 N1 C5 2_556 -86.60(17)
S4 Cd1 N1 C5 2_666 99.83(17)
C6 N2 N3 C7 . -0.2(2)
N9 Cd1 N5 C18 . 34.99(17)
N10 Cd1 N5 C18 . -150.97(17)
N1 Cd1 N5 C18 . -52.8(4)
S3 Cd1 N5 C18 2_556 126.66(16)
S4 Cd1 N5 C18 2_666 -59.77(16)
N9 Cd1 N5 C14 . -151.28(19)
N10 Cd1 N5 C14 . 22.75(19)
N1 Cd1 N5 C14 . 121.0(3)
S3 Cd1 N5 C14 2_556 -59.62(18)
S4 Cd1 N5 C14 2_666 113.95(18)
C19 N6 N7 C20 . 0.1(3)
N1 Cd1 N9 C27 . -73.5(6)
N5 Cd1 N9 C27 . 117.5(6)
S3 Cd1 N9 C27 2_556 20.4(6)
S4 Cd1 N9 C27 2_666 -158.1(6)
N1 Cd1 N10 C28 . -156.8(4)
N5 Cd1 N10 C28 . 12.3(4)
S3 Cd1 N10 C28 2_556 109.4(4)
S4 Cd1 N10 C28 2_666 -72.2(4)
C5 N1 C1 C2 . 1.8(4)
Cd1 N1 C1 C2 . -175.4(2)
N1 C1 C2 C3 . 0.0(4)
C1 C2 C3 C4 . -1.7(4)
C1 C2 C3 C6 . 176.9(2)
C2 C3 C4 C5 . 1.6(3)
C6 C3 C4 C5 . -177.0(2)
C1 N1 C5 C4 . -1.9(3)
Cd1 N1 C5 C4 . 175.20(17)
C3 C4 C5 N1 . 0.3(4)
N3 N2 C6 O1 . 0.2(3)
N3 N2 C6 C3 . 178.5(2)
C7 O1 C6 N2 . -0.2(2)
C7 O1 C6 C3 . -178.63(19)
C2 C3 C6 N2 . 168.0(2)
C4 C3 C6 N2 . -13.4(4)
C2 C3 C6 O1 . -13.8(3)
C4 C3 C6 O1 . 164.8(2)
N2 N3 C7 O1 . 0.1(3)
N2 N3 C7 S1 . -178.03(17)
C6 O1 C7 N3 . 0.1(2)
C6 O1 C7 S1 . 178.42(15)
C8 S1 C7 N3 . 7.3(2)
C8 S1 C7 O1 . -170.74(17)
C7 S1 C8 C9 . -177.55(18)
C13 N4 C9 C10 . 0.4(4)
C13 N4 C9 C8 . -178.5(2)
S1 C8 C9 N4 . -15.5(3)
S1 C8 C9 C10 . 165.63(19)
N4 C9 C10 C11 . -1.7(4)
C8 C9 C10 C11 . 177.1(2)
C9 C10 C11 C12 . 1.6(4)
C10 C11 C12 C13 . -0.2(4)
C9 N4 C13 C12 . 1.1(4)
C11 C12 C13 N4 . -1.2(5)
C18 N5 C14 C15 . 0.5(3)
Cd1 N5 C14 C15 . -173.29(18)
N5 C14 C15 C16 . -0.5(4)
C14 C15 C16 C17 . 0.1(3)
C14 C15 C16 C19 . -179.5(2)
C15 C16 C17 C18 . 0.2(3)
C19 C16 C17 C18 . 179.8(2)
C14 N5 C18 C17 . -0.1(3)
Cd1 N5 C18 C17 . 174.04(18)
C16 C17 C18 N5 . -0.2(4)
N7 N6 C19 O2 . -1.0(3)
N7 N6 C19 C16 . 178.0(2)
C20 O2 C19 N6 . 1.3(2)
C20 O2 C19 C16 . -177.73(19)
C17 C16 C19 N6 . 161.9(2)
C15 C16 C19 N6 . -18.5(4)
C17 C16 C19 O2 . -19.2(3)
C15 C16 C19 O2 . 160.4(2)
N6 N7 C20 O2 . 0.8(3)
N6 N7 C20 S2 . -176.95(18)
C19 O2 C20 N7 . -1.3(2)
C19 O2 C20 S2 . 176.79(15)
C21 S2 C20 N7 . -5.8(3)
C21 S2 C20 O2 . 176.55(17)
C20 S2 C21 C22 . 169.84(17)
C26 N8 C22 C23 . -0.3(4)
C26 N8 C22 C21 . 179.6(2)
S2 C21 C22 N8 . 16.0(3)
S2 C21 C22 C23 . -163.99(19)
N8 C22 C23 C24 . 1.5(4)
C21 C22 C23 C24 . -178.4(2)
C22 C23 C24 C25 . -1.4(4)
C23 C24 C25 C26 . 0.2(4)
C22 N8 C26 C25 . -1.0(4)
C24 C25 C26 N8 . 1.0(4)
