#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/64/2216438.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_2216438
loop_
_publ_author_name
'Rui-Hai Cui'
'Ya-Qian Lan'
_publ_section_title
;Poly[[bis(μ-1,2-bis{[2-(2-pyridyl)-1H-imidazol-1-yl]methyl}benzene)lead(II)]
 dithiocyanate]
;
_journal_coeditor_code           FJ2062
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3051
_journal_page_last               m3051
_journal_paper_doi               10.1107/S1600536807057753
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pb (C24 H20 N6)2] (S C N)2'
_chemical_formula_moiety         'C48 H40 N12 Pb 2+, 2(C N S -)'
_chemical_formula_sum            'C50 H40 N14 Pb S2'
_chemical_formula_weight         1108.27
_chemical_name_systematic
;
poly[[bis(μ-1,2-bis{[2-(2-pyridyl)-1H-imidazol-1-yl]methyl}benzene)lead(II)]
dithiocyanate]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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
_cell_angle_beta                 126.5930(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.9560(8)
_cell_length_b                   12.6670(8)
_cell_length_c                   18.3560(9)
_cell_measurement_reflns_used    9825
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      1.92
_cell_volume                     4472.2(4)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω 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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0514
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13428
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.92
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.921
_exptl_absorpt_correction_T_max  0.333
_exptl_absorpt_correction_T_min  0.271
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2208
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.016
_refine_diff_density_min         -1.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         5253
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0337
_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)+(0.0448P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0804
_reflns_number_gt                4435
_reflns_number_total             5253
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            fj2062.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2216438
_cod_database_fobs_code          2216438
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Pb Pb1 0.0000 0.369453(14) 0.7500 0.03277(8) Uani d S 1
S S1 0.23584(15) 0.88594(17) 0.80144(19) 0.1210(8) Uani d . 1
C C1 0.1039(3) 0.6026(3) 0.8718(3) 0.0527(11) Uani d . 1
H H1 0.0700 0.6391 0.8713 0.063 Uiso calc R 1
C C2 0.1559(3) 0.6481(3) 0.8750(3) 0.0510(11) Uani d . 1
H H2 0.1647 0.7200 0.8774 0.061 Uiso calc R 1
C C3 0.1634(2) 0.4757(3) 0.8719(3) 0.0370(8) Uani d . 1
C C4 0.1862(2) 0.3677(3) 0.8724(2) 0.0363(8) Uani d . 1
C C5 0.2552(3) 0.3402(4) 0.9119(3) 0.0494(10) Uani d . 1
H H5 0.2895 0.3919 0.9379 0.059 Uiso calc R 1
C C6 0.2721(3) 0.2370(4) 0.9124(4) 0.0581(12) Uani d . 1
H H6 0.3179 0.2178 0.9387 0.070 Uiso calc R 1
C C7 0.2206(3) 0.1624(4) 0.8734(3) 0.0555(12) Uani d . 1
H H7 0.2305 0.0917 0.8722 0.067 Uiso calc R 1
C C8 0.1535(3) 0.1949(3) 0.8360(3) 0.0484(11) Uani d . 1
H H8 0.1187 0.1439 0.8102 0.058 Uiso calc R 1
C C9 0.2509(2) 0.5851(3) 0.8679(3) 0.0401(9) Uani d . 1
H H9A 0.2405 0.6467 0.8304 0.048 Uiso calc R 1
H H9B 0.2546 0.5250 0.8383 0.048 Uiso calc R 1
C C10 0.3202(2) 0.6016(3) 0.9593(3) 0.0338(8) Uani d . 1
C C11 0.3293(2) 0.5842(3) 1.0405(3) 0.0417(9) Uani d . 1
H H11 0.2916 0.5629 1.0392 0.050 Uiso calc R 1
C C12 0.3925(3) 0.5976(3) 1.1220(3) 0.0473(10) Uani d . 1
H H12 0.3977 0.5846 1.1756 0.057 Uiso calc R 1
C C13 0.4494(2) 0.6307(3) 1.1254(3) 0.0461(10) Uani d . 1
H H13 0.4925 0.6400 1.1810 0.055 Uiso calc R 1
C C14 0.4414(2) 0.6498(3) 1.0452(3) 0.0418(9) Uani d . 1
H H14 0.4794 0.6719 1.0473 0.050 Uiso calc R 1
C C15 0.3770(2) 0.6362(3) 0.9617(2) 0.0344(8) Uani d . 1
C C16 0.3669(2) 0.6580(3) 0.8735(3) 0.0406(9) Uani d . 1
H H16A 0.3425 0.5989 0.8327 0.049 Uiso calc R 1
H H16B 0.3378 0.7200 0.8454 0.049 Uiso calc R 1
C C17 0.4706(3) 0.5944(4) 0.8856(3) 0.0531(12) Uani d . 1
H H17 0.4635 0.5224 0.8868 0.064 Uiso calc R 1
C C18 0.5209(3) 0.6404(3) 0.8849(4) 0.0606(13) Uani d . 1
H H18 0.5551 0.6042 0.8858 0.073 Uiso calc R 1
C C19 0.4607(2) 0.7666(3) 0.8829(3) 0.0397(9) Uani d . 1
C C20 0.4387(2) 0.8735(3) 0.8845(3) 0.0387(8) Uani d . 1
C C21 0.4112(3) 0.9009(4) 0.9309(3) 0.0506(11) Uani d . 1
H H21 0.4033 0.8496 0.9600 0.061 Uiso calc R 1
C C22 0.3959(3) 1.0061(4) 0.9329(3) 0.0568(12) Uani d . 1
H H22 0.3772 1.0259 0.9630 0.068 Uiso calc R 1
C C23 0.4085(3) 1.0805(4) 0.8903(3) 0.0552(12) Uani d . 1
H H23 0.3990 1.1514 0.8913 0.066 Uiso calc R 1
C C24 0.4356(3) 1.0471(3) 0.8456(3) 0.0479(10) Uani d . 1
H H24 0.4434 1.0977 0.8159 0.057 Uiso calc R 1
C C25 0.1601(5) 0.8640(6) 0.7079(9) 0.110(4) Uani d . 1
N N1 0.4318(2) 0.6750(3) 0.8843(2) 0.0411(8) Uani d . 1
N N2 0.5148(2) 0.7480(3) 0.8825(3) 0.0525(10) Uani d . 1
N N3 0.45138(19) 0.9469(3) 0.8425(2) 0.0406(8) Uani d . 1
N N4 0.1078(2) 0.4945(3) 0.8693(2) 0.0453(8) Uani d . 1
N N5 0.19362(19) 0.5672(3) 0.8739(2) 0.0397(8) Uani d . 1
N N6 0.13584(19) 0.2947(2) 0.8348(2) 0.0395(7) Uani d . 1
N N8 0.1191(6) 0.8507(9) 0.6599(9) 0.182(6) 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'
Pb Pb -3.3944 10.1111 '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'
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
N4 Pb1 N4 . 2_556 107.83(16)
N4 Pb1 N2 . 4_546 127.73(11)
N4 Pb1 N2 2_556 4_546 93.16(12)
N4 Pb1 N2 . 3_445 93.16(12)
N4 Pb1 N2 2_556 3_445 127.73(11)
N2 Pb1 N2 4_546 3_445 111.02(16)
N4 Pb1 N3 . 3_445 80.90(10)
N4 Pb1 N3 2_556 3_445 74.82(10)
N2 Pb1 N3 4_546 3_445 151.37(12)
N2 Pb1 N3 3_445 3_445 61.71(10)
N4 Pb1 N3 . 4_546 74.82(10)
N4 Pb1 N3 2_556 4_546 80.90(10)
N2 Pb1 N3 4_546 4_546 61.71(10)
N2 Pb1 N3 3_445 4_546 151.37(12)
N3 Pb1 N3 3_445 4_546 138.22(14)
C2 C1 N4 . . 110.4(4)
C2 C1 H1 . . 124.8
N4 C1 H1 . . 124.8
C1 C2 N5 . . 106.3(4)
C1 C2 H2 . . 126.8
N5 C2 H2 . . 126.8
N4 C3 N5 . . 110.9(3)
N4 C3 C4 . . 121.9(3)
N5 C3 C4 . . 127.2(4)
N6 C4 C5 . . 121.3(4)
N6 C4 C3 . . 114.9(4)
C5 C4 C3 . . 123.8(4)
C6 C5 C4 . . 119.8(5)
C6 C5 H5 . . 120.1
C4 C5 H5 . . 120.1
C5 C6 C7 . . 119.0(5)
C5 C6 H6 . . 120.5
C7 C6 H6 . . 120.5
C6 C7 C8 . . 118.3(4)
C6 C7 H7 . . 120.9
C8 C7 H7 . . 120.9
N6 C8 C7 . . 123.8(5)
N6 C8 H8 . . 118.1
C7 C8 H8 . . 118.1
N5 C9 C10 . . 113.4(3)
N5 C9 H9A . . 108.9
C10 C9 H9A . . 108.9
N5 C9 H9B . . 108.9
C10 C9 H9B . . 108.9
H9A C9 H9B . . 107.7
C11 C10 C15 . . 119.2(4)
C11 C10 C9 . . 122.3(4)
C15 C10 C9 . . 118.6(3)
C12 C11 C10 . . 121.2(4)
C12 C11 H11 . . 119.4
C10 C11 H11 . . 119.4
C11 C12 C13 . . 120.3(4)
C11 C12 H12 . . 119.9
C13 C12 H12 . . 119.9
C14 C13 C12 . . 119.6(4)
C14 C13 H13 . . 120.2
C12 C13 H13 . . 120.2
C13 C14 C15 . . 120.5(4)
C13 C14 H14 . . 119.8
C15 C14 H14 . . 119.8
C14 C15 C10 . . 119.3(3)
C14 C15 C16 . . 121.4(4)
C10 C15 C16 . . 119.3(3)
N1 C16 C15 . . 113.7(3)
N1 C16 H16A . . 108.8
C15 C16 H16A . . 108.8
N1 C16 H16B . . 108.8
C15 C16 H16B . . 108.8
H16A C16 H16B . . 107.7
C18 C17 N1 . . 106.2(4)
C18 C17 H17 . . 126.9
N1 C17 H17 . . 126.9
C17 C18 N2 . . 110.6(4)
C17 C18 H18 . . 124.7
N2 C18 H18 . . 124.7
N2 C19 N1 . . 111.1(4)
N2 C19 C20 . . 122.1(4)
N1 C19 C20 . . 126.8(4)
N3 C20 C21 . . 121.7(4)
N3 C20 C19 . . 114.9(3)
C21 C20 C19 . . 123.3(4)
C22 C21 C20 . . 118.8(4)
C22 C21 H21 . . 120.6
C20 C21 H21 . . 120.6
C23 C22 C21 . . 119.7(4)
C23 C22 H22 . . 120.2
C21 C22 H22 . . 120.2
C22 C23 C24 . . 118.1(4)
C22 C23 H23 . . 121.0
C24 C23 H23 . . 121.0
N3 C24 C23 . . 124.1(4)
N3 C24 H24 . . 117.9
C23 C24 H24 . . 117.9
N8 C25 S1 . . 177(2)
C19 N1 C17 . . 106.8(4)
C19 N1 C16 . . 129.5(4)
C17 N1 C16 . . 123.2(4)
C19 N2 C18 . . 105.3(4)
C19 N2 Pb1 . 3 107.4(3)
C18 N2 Pb1 . 3 123.1(3)
C24 N3 C20 . . 117.6(3)
C24 N3 Pb1 . 3 126.9(3)
C20 N3 Pb1 . 3 115.4(2)
C3 N4 C1 . . 105.3(4)
C3 N4 Pb1 . . 112.4(2)
C1 N4 Pb1 . . 124.2(3)
C3 N5 C2 . . 107.0(4)
C3 N5 C9 . . 130.0(3)
C2 N5 C9 . . 122.8(3)
C8 N6 C4 . . 117.9(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Pb1 N4 . 2.689(4)
Pb1 N4 2_556 2.689(4)
Pb1 N2 4_546 2.717(3)
Pb1 N2 3_445 2.717(3)
Pb1 N3 3_445 2.750(3)
Pb1 N3 4_546 2.750(3)
Pb1 N6 . 2.805(3)
Pb1 N6 2_556 2.805(3)
S1 C25 . 1.614(12)
C1 C2 . 1.343(7)
C1 N4 . 1.376(5)
C1 H1 . 0.9300
C2 N5 . 1.373(6)
C2 H2 . 0.9300
C3 N4 . 1.326(5)
C3 N5 . 1.355(5)
C3 C4 . 1.472(5)
C4 N6 . 1.341(5)
C4 C5 . 1.395(6)
C5 C6 . 1.367(6)
C5 H5 . 0.9300
C6 C7 . 1.370(7)
C6 H6 . 0.9300
C7 C8 . 1.382(7)
C7 H7 . 0.9300
C8 N6 . 1.329(5)
C8 H8 . 0.9300
C9 N5 . 1.458(5)
C9 C10 . 1.515(6)
C9 H9A . 0.9700
C9 H9B . 0.9700
C10 C11 . 1.389(5)
C10 C15 . 1.405(5)
C11 C12 . 1.364(7)
C11 H11 . 0.9300
C12 C13 . 1.392(7)
C12 H12 . 0.9300
C13 C14 . 1.387(6)
C13 H13 . 0.9300
C14 C15 . 1.394(6)
C14 H14 . 0.9300
C15 C16 . 1.512(5)
C16 N1 . 1.462(5)
C16 H16A . 0.9700
C16 H16B . 0.9700
C17 C18 . 1.347(7)
C17 N1 . 1.371(6)
C17 H17 . 0.9300
C18 N2 . 1.368(5)
C18 H18 . 0.9300
C19 N2 . 1.322(5)
C19 N1 . 1.359(5)
C19 C20 . 1.460(5)
C20 N3 . 1.352(5)
C20 C21 . 1.396(5)
C21 C22 . 1.387(6)
C21 H21 . 0.9300
C22 C23 . 1.368(7)
C22 H22 . 0.9300
C23 C24 . 1.381(6)
C23 H23 . 0.9300
C24 N3 . 1.336(5)
C24 H24 . 0.9300
C25 N8 . 0.858(13)
N2 Pb1 3 2.717(3)
N3 Pb1 3 2.750(3)
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
N4 C1 C2 N5 . . 0.4(6)
N4 C3 C4 N6 . . 25.5(5)
N5 C3 C4 N6 . . -154.5(4)
N4 C3 C4 C5 . . -151.8(4)
N5 C3 C4 C5 . . 28.2(6)
N6 C4 C5 C6 . . 0.3(6)
C3 C4 C5 C6 . . 177.5(4)
C4 C5 C6 C7 . . 0.2(7)
C5 C6 C7 C8 . . -0.6(7)
C6 C7 C8 N6 . . 0.7(7)
N5 C9 C10 C11 . . 9.7(6)
N5 C9 C10 C15 . . -170.0(3)
C15 C10 C11 C12 . . -1.6(6)
C9 C10 C11 C12 . . 178.7(4)
C10 C11 C12 C13 . . 0.9(7)
C11 C12 C13 C14 . . -0.1(6)
C12 C13 C14 C15 . . 0.1(6)
C13 C14 C15 C10 . . -0.7(6)
C13 C14 C15 C16 . . 179.2(4)
C11 C10 C15 C14 . . 1.5(6)
C9 C10 C15 C14 . . -178.8(4)
C11 C10 C15 C16 . . -178.4(3)
C9 C10 C15 C16 . . 1.3(5)
C14 C15 C16 N1 . . 10.4(5)
C10 C15 C16 N1 . . -169.7(3)
N1 C17 C18 N2 . . -0.4(6)
N2 C19 C20 N3 . . 31.1(6)
N1 C19 C20 N3 . . -151.0(4)
N2 C19 C20 C21 . . -144.5(5)
N1 C19 C20 C21 . . 33.4(7)
N3 C20 C21 C22 . . 0.8(7)
C19 C20 C21 C22 . . 176.1(5)
C20 C21 C22 C23 . . -0.5(8)
C21 C22 C23 C24 . . 0.6(8)
C22 C23 C24 N3 . . -1.0(8)
N2 C19 N1 C17 . . 0.5(5)
C20 C19 N1 C17 . . -177.6(4)
N2 C19 N1 C16 . . -171.2(4)
C20 C19 N1 C16 . . 10.7(7)
C18 C17 N1 C19 . . 0.0(5)
C18 C17 N1 C16 . . 172.3(4)
C15 C16 N1 C19 . . -103.2(5)
C15 C16 N1 C17 . . 86.3(5)
N1 C19 N2 C18 . . -0.7(5)
C20 C19 N2 C18 . . 177.5(4)
N1 C19 N2 Pb1 . 3 132.1(3)
C20 C19 N2 Pb1 . 3 -49.7(5)
C17 C18 N2 C19 . . 0.7(6)
C17 C18 N2 Pb1 . 3 -122.6(4)
C23 C24 N3 C20 . . 1.2(7)
C23 C24 N3 Pb1 . 3 177.0(4)
C21 C20 N3 C24 . . -1.1(6)
C19 C20 N3 C24 . . -176.8(4)
C21 C20 N3 Pb1 . 3 -177.4(3)
C19 C20 N3 Pb1 . 3 6.9(5)
N5 C3 N4 C1 . . -1.4(5)
C4 C3 N4 C1 . . 178.6(4)
N5 C3 N4 Pb1 . . 136.6(3)
C4 C3 N4 Pb1 . . -43.4(4)
C2 C1 N4 C3 . . 0.6(5)
C2 C1 N4 Pb1 . . -131.0(4)
N4 Pb1 N4 C3 2_556 . -122.7(3)
N2 Pb1 N4 C3 4_546 . -13.9(3)
N2 Pb1 N4 C3 3_445 . 105.9(3)
N3 Pb1 N4 C3 3_445 . 166.6(3)
N3 Pb1 N4 C3 4_546 . -47.7(3)
N4 Pb1 N4 C1 2_556 . 6.1(3)
N2 Pb1 N4 C1 4_546 . 114.9(3)
N2 Pb1 N4 C1 3_445 . -125.3(3)
N3 Pb1 N4 C1 3_445 . -64.7(3)
N3 Pb1 N4 C1 4_546 . 81.0(3)
N4 C3 N5 C2 . . 1.6(5)
C4 C3 N5 C2 . . -178.4(4)
N4 C3 N5 C9 . . -173.1(4)
C4 C3 N5 C9 . . 6.9(7)
C1 C2 N5 C3 . . -1.2(5)
C1 C2 N5 C9 . . 174.0(4)
C10 C9 N5 C3 . . -98.8(5)
C10 C9 N5 C2 . . 87.2(5)
C7 C8 N6 C4 . . -0.2(6)
C5 C4 N6 C8 . . -0.3(5)
C3 C4 N6 C8 . . -177.6(3)
