#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:17:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179239 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/59/4315995.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_4315995
loop_
_publ_author_name
'Nicolas Leblanc'
'Wenhua Bi'
'Nicolas Mercier'
'Pascale Auban-Senzier'
'Claude Pasquier'
_publ_contact_author_address
;
Laboratoire Chimie Ingenierie Moleculaire Materiaux Angers
UMR CNRS 6501, Faculte des Sciences, 2 Bd Lavoisier, F-49045 Angers, France
;
_publ_contact_author_email       nicolas.mercier@univ-angers.fr
_publ_contact_author_fax         (33)2.41.73.54.05
_publ_contact_author_name        'Mercier, Nicolas'
_publ_contact_author_phone       (33)2.41.73.50.83
_publ_section_title
;
 Photochromism, Electrical Properties, and Structural Investigations of a
 Series of Hydrated Methylviologen Halobismuthate Hybrids: Influence of
 the Anionic Oligomer Size and Iodide Doping on the Photoinduced
 Properties and on the Dehydration Process
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5824
_journal_page_last               5833
_journal_paper_doi               10.1021/ic901525p
_journal_volume                  49
_journal_year                    2010
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         '4(C12 H14 N2), Bi6 Cl26'
_chemical_formula_sum            'C48 H56 Bi6 Cl26 N8'
_chemical_formula_weight         2920.67
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2009-12-03T14:52:45-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                103.068(10)
_cell_angle_beta                 96.160(10)
_cell_angle_gamma                108.004(10)
_cell_formula_units_Z            1
_cell_length_a                   9.3871(8)
_cell_length_b                   12.5062(11)
_cell_length_c                   19.070(3)
_cell_measurement_reflns_used    20589
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_measurement_wavelength     0.71073
_cell_volume                     2035.7(4)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0697
_diffrn_reflns_av_unetI/netI     0.052
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            70592
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    13.812
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_correction_T_min  0.305
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS (Sheldrick, Bruker, 2000))'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.386
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.094
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.755
_refine_diff_density_min         -1.054
_refine_diff_density_rms         0.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         11888
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0826
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0296P)²+4.1758P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0732
_refine_ls_wR_factor_ref         0.0888
_reflns_number_gt                7555
_reflns_number_total             11888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901525p_si_002_4.cif
_cod_data_source_block           2b
_cod_database_code               4315995
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
Bi1 Bi 1.15186(2) 1.05756(2) 1.271457(12) 0.03549(7) Uani 1 1 d . . .
Bi2 Bi 1.54491(2) 1.634713(18) 1.446647(11) 0.03074(6) Uani 1 1 d . . .
Bi3 Bi 1.25499(3) 1.33260(2) 1.162098(12) 0.03693(7) Uani 1 1 d . . .
Cl1 Cl 0.9913(2) 0.90831(18) 1.15522(10) 0.0636(5) Uani 1 1 d . . .
Cl2 Cl 0.9421(2) 0.97159(17) 1.33659(11) 0.0635(5) Uani 1 1 d . . .
Cl3 Cl 1.2981(2) 0.92061(18) 1.28882(14) 0.0752(6) Uani 1 1 d . . .
Cl4 Cl 1.3224(2) 1.20982(16) 1.42081(9) 0.0578(5) Uani 1 1 d . . .
Cl5 Cl 1.69423(16) 1.48389(14) 1.48764(9) 0.0420(3) Uani 1 1 d . . .
Cl6 Cl 1.4047(2) 1.76985(16) 1.41364(10) 0.0567(4) Uani 1 1 d . . .
Cl7 Cl 1.4112(2) 1.48383(17) 1.31180(10) 0.0637(5) Uani 1 1 d . . .
Cl8 Cl 1.77603(19) 1.73012(16) 1.39366(10) 0.0535(4) Uani 1 1 d . . .
Cl9 Cl 1.4928(2) 1.42221(18) 1.09789(11) 0.0623(5) Uani 1 1 d . . .
Cl10 Cl 1.1142(2) 1.19234(18) 1.04021(10) 0.0655(5) Uani 1 1 d . . .
Cl11 Cl 1.1213(2) 1.47833(18) 1.13843(12) 0.0677(5) Uani 1 1 d . . .
Cl12 Cl 1.02183(19) 1.22287(15) 1.22786(10) 0.0523(4) Uani 1 1 d . . .
Cl13 Cl 1.38716(17) 1.16483(14) 1.19141(9) 0.0466(4) Uani 1 1 d . . .
N1 N 0.9161(7) 1.5637(5) 1.2743(3) 0.0524(14) Uani 1 1 d . . .
N2 N 0.7855(7) 1.1236(5) 1.4551(3) 0.0503(14) Uani 1 1 d . . .
N3 N 0.5716(6) 0.7996(6) 1.1848(4) 0.0578(16) Uani 1 1 d . . .
N4 N 0.7757(6) 1.2208(6) 0.9905(4) 0.0602(16) Uani 1 1 d . . .
C1 C 0.9434(11) 1.6586(7) 1.2374(5) 0.080(3) Uani 1 1 d . . .
H1A H 0.9213 1.723 1.2663 0.121 Uiso 1 1 calc R . .
H1B H 0.8784 1.6301 1.1898 0.121 Uiso 1 1 calc R . .
H1C H 1.0482 1.6844 1.2321 0.121 Uiso 1 1 calc R . .
C2 C 0.7767(8) 1.4850(7) 1.2640(5) 0.062(2) Uani 1 1 d . . .
H6 H 0.6969 1.4893 1.2327 0.074 Uiso 1 1 calc R . .
C3 C 0.7490(7) 1.3987(6) 1.2982(4) 0.0559(19) Uani 1 1 d . . .
H5 H 0.6507 1.3452 1.2902 0.067 Uiso 1 1 calc R . .
C4 C 0.8641(7) 1.3894(6) 1.3446(3) 0.0403(14) Uani 1 1 d . . .
C5 C 1.0073(8) 1.4716(8) 1.3535(4) 0.065(2) Uani 1 1 d . . .
H3 H 1.0892 1.4677 1.3837 0.078 Uiso 1 1 calc R . .
C6 C 1.0311(9) 1.5587(8) 1.3189(5) 0.069(2) Uani 1 1 d . . .
H2 H 1.1279 1.6142 1.3266 0.082 Uiso 1 1 calc R . .
C7 C 0.8370(7) 1.2956(5) 1.3829(3) 0.0417(15) Uani 1 1 d . . .
C8 C 0.6924(7) 1.2170(7) 1.3766(4) 0.0531(18) Uani 1 1 d . . .
H8 H 0.61 1.2211 1.3469 0.064 Uiso 1 1 calc R . .
C9 C 0.6698(8) 1.1342(7) 1.4132(4) 0.0560(19) Uani 1 1 d . . .
H9 H 0.5713 1.0834 1.4091 0.067 Uiso 1 1 calc R . .
C10 C 0.7613(10) 1.0326(7) 1.4951(5) 0.070(2) Uani 1 1 d . . .
H10A H 0.7658 0.9622 1.464 0.105 Uiso 1 1 calc R . .
H10B H 0.6631 1.0172 1.5089 0.105 Uiso 1 1 calc R . .
H10C H 0.8393 1.0595 1.5383 0.105 Uiso 1 1 calc R . .
C11 C 0.9253(9) 1.1963(7) 1.4606(5) 0.074(3) Uani 1 1 d . . .
H11 H 1.0063 1.1889 1.4893 0.089 Uiso 1 1 calc R . .
C12 C 0.9541(8) 1.2824(7) 1.4250(5) 0.067(2) Uani 1 1 d . . .
H12 H 1.0537 1.3319 1.4295 0.081 Uiso 1 1 calc R . .
C13 C 0.5281(10) 0.7146(8) 1.2266(5) 0.079(3) Uani 1 1 d . . .
H13A H 0.5981 0.7414 1.2726 0.119 Uiso 1 1 calc R . .
H13B H 0.5307 0.6408 1.1994 0.119 Uiso 1 1 calc R . .
H13C H 0.4267 0.7055 1.2354 0.119 Uiso 1 1 calc R . .
C14 C 0.5720(8) 0.7661(7) 1.1122(4) 0.0579(19) Uani 1 1 d . . .
H14 H 0.5469 0.6872 1.0885 0.069 Uiso 1 1 calc R . .
C15 C 0.6086(8) 0.8463(7) 1.0738(4) 0.0557(18) Uani 1 1 d . . .
H15 H 0.6079 0.8211 1.024 0.067 Uiso 1 1 calc R . .
C16 C 0.6475(7) 0.9659(6) 1.1071(4) 0.0459(16) Uani 1 1 d . . .
C17 C 0.6478(9) 0.9981(7) 1.1813(4) 0.0597(19) Uani 1 1 d . . .
H17 H 0.673 1.0764 1.2063 0.072 Uiso 1 1 calc R . .
C18 C 0.6103(8) 0.9131(7) 1.2180(4) 0.062(2) Uani 1 1 d . . .
H18 H 0.6122 0.936 1.2681 0.074 Uiso 1 1 calc R . .
C19 C 0.6878(7) 1.0536(6) 1.0665(4) 0.0446(15) Uani 1 1 d . . .
C20 C 0.7132(8) 1.0258(7) 0.9951(4) 0.0566(18) Uani 1 1 d . . .
H20 H 0.6995 0.9486 0.9715 0.068 Uiso 1 1 calc R . .
C21 C 0.7576(9) 1.1092(8) 0.9592(5) 0.068(2) Uani 1 1 d . . .
H21 H 0.7758 1.0882 0.9119 0.082 Uiso 1 1 calc R . .
C22 C 0.8338(11) 1.3119(9) 0.9530(6) 0.097(3) Uani 1 1 d . . .
H22A H 0.9419 1.3494 0.9699 0.146 Uiso 1 1 calc R . .
H22B H 0.7843 1.3688 0.9636 0.146 Uiso 1 1 calc R . .
H22C H 0.8129 1.2768 0.901 0.146 Uiso 1 1 calc R . .
C23 C 0.7503(10) 1.2504(8) 1.0593(5) 0.072(2) Uani 1 1 d . . .
H23 H 0.7633 1.328 1.0815 0.087 Uiso 1 1 calc R . .
C24 C 0.7061(9) 1.1691(6) 1.0970(4) 0.0597(19) Uani 1 1 d . . .
H24 H 0.6879 1.1919 1.1441 0.072 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.108 10.257 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.148 0.159 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.006 0.003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.003 0.002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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
Cl8 Bi2 Cl6 92.52(6) . . ?
Cl8 Bi2 Cl4 89.89(6) . 2_888 ?
Cl6 Bi2 Cl4 90.43(6) . 2_888 ?
Cl8 Bi2 Cl7 89.36(6) . . ?
Cl6 Bi2 Cl7 88.08(6) . . ?
Cl4 Bi2 Cl7 178.30(7) 2_888 . ?
Cl8 Bi2 Cl5 173.98(5) . 2_888 ?
Cl6 Bi2 Cl5 93.39(6) . 2_888 ?
Cl4 Bi2 Cl5 88.92(5) 2_888 2_888 ?
Cl7 Bi2 Cl5 91.99(6) . 2_888 ?
Cl8 Bi2 Cl5 89.40(5) . . ?
Cl6 Bi2 Cl5 177.85(5) . . ?
Cl4 Bi2 Cl5 88.61(5) 2_888 . ?
Cl7 Bi2 Cl5 92.91(6) . . ?
Cl5 Bi2 Cl5 84.67(4) 2_888 . ?
Cl10 Bi3 Cl11 90.21(7) . . ?
Cl10 Bi3 Cl9 89.29(7) . . ?
Cl11 Bi3 Cl9 93.79(7) . . ?
Cl10 Bi3 Cl12 89.63(7) . . ?
Cl11 Bi3 Cl12 91.69(6) . . ?
Cl9 Bi3 Cl12 174.42(5) . . ?
Cl10 Bi3 Cl13 89.48(6) . . ?
Cl11 Bi3 Cl13 176.62(6) . . ?
Cl9 Bi3 Cl13 89.57(5) . . ?
Cl12 Bi3 Cl13 84.95(5) . . ?
Cl10 Bi3 Cl7 175.51(7) . . ?
Cl11 Bi3 Cl7 92.24(6) . . ?
Cl9 Bi3 Cl7 94.30(6) . . ?
Cl12 Bi3 Cl7 86.54(6) . . ?
Cl13 Bi3 Cl7 87.85(5) . . ?
Bi2 Cl4 Bi1 172.57(8) 2_888 . ?
Bi2 Cl5 Bi2 95.33(4) 2_888 . ?
Bi2 Cl7 Bi3 175.57(8) . . ?
Bi3 Cl12 Bi1 98.48(5) . . ?
Bi3 Cl13 Bi1 95.60(4) . . ?
C6 N1 C2 120.0(7) . . ?
C6 N1 C1 119.4(7) . . ?
C2 N1 C1 120.5(7) . . ?
C11 N2 C9 118.7(7) . . ?
C11 N2 C10 119.4(7) . . ?
C9 N2 C10 121.9(7) . . ?
C18 N3 C14 118.7(7) . . ?
C18 N3 C13 119.8(7) . . ?
C14 N3 C13 121.5(7) . . ?
C21 N4 C23 118.9(7) . . ?
C21 N4 C22 120.8(8) . . ?
C23 N4 C22 120.1(8) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C3 121.3(7) . . ?
N1 C2 H6 119.3 . . ?
C3 C2 H6 119.3 . . ?
C2 C3 C4 120.9(7) . . ?
C2 C3 H5 119.5 . . ?
C4 C3 H5 119.5 . . ?
C3 C4 C5 116.2(7) . . ?
C3 C4 C7 122.1(6) . . ?
C5 C4 C7 121.7(6) . . ?
C6 C5 C4 121.4(7) . . ?
C6 C5 H3 119.3 . . ?
C4 C5 H3 119.3 . . ?
N1 C6 C5 120.1(7) . . ?
N1 C6 H2 120 . . ?
C5 C6 H2 120 . . ?
C12 C7 C8 117.0(7) . . ?
C12 C7 C4 121.5(6) . . ?
C8 C7 C4 121.5(6) . . ?
C9 C8 C7 120.5(7) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
N2 C9 C8 121.7(7) . . ?
N2 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
N2 C10 H10A 109.5 . . ?
N2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2 C11 C12 121.9(7) . . ?
N2 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C7 C12 C11 120.1(7) . . ?
C7 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
N3 C13 H13A 109.5 . . ?
N3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 N3 120.7(7) . . ?
C15 C14 H14 119.7 . . ?
N3 C14 H14 119.7 . . ?
C14 C15 C16 121.8(7) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
C17 C16 C15 116.6(7) . . ?
C17 C16 C19 121.0(6) . . ?
C15 C16 C19 122.4(6) . . ?
C18 C17 C16 119.4(7) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
N3 C18 C17 122.8(7) . . ?
N3 C18 H18 118.6 . . ?
C17 C18 H18 118.6 . . ?
C24 C19 C20 116.0(7) . . ?
C24 C19 C16 122.0(6) . . ?
C20 C19 C16 121.9(6) . . ?
C21 C20 C19 121.3(7) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
N4 C21 C20 121.3(7) . . ?
N4 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
N4 C22 H22A 109.5 . . ?
N4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C23 C24 121.4(8) . . ?
N4 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C23 C24 C19 121.1(7) . . ?
C23 C24 H24 119.5 . . ?
C19 C24 H24 119.5 . . ?
Cl1 Bi1 Cl2 87.27(7) . . ?
Cl1 Bi1 Cl3 89.57(7) . . ?
Cl2 Bi1 Cl3 95.22(7) . . ?
Cl1 Bi1 Cl12 87.33(6) . . ?
Cl2 Bi1 Cl12 96.16(6) . . ?
Cl3 Bi1 Cl12 168.04(6) . . ?
Cl1 Bi1 Cl13 91.87(6) . . ?
Cl2 Bi1 Cl13 176.79(6) . . ?
Cl3 Bi1 Cl13 87.86(6) . . ?
Cl12 Bi1 Cl13 80.71(5) . . ?
Cl1 Bi1 Cl4 171.81(7) . . ?
Cl2 Bi1 Cl4 85.65(6) . . ?
Cl3 Bi1 Cl4 86.98(7) . . ?
Cl12 Bi1 Cl4 97.51(5) . . ?
Cl13 Bi1 Cl4 95.41(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
Bi2 Cl8 2.5627(17) . ?
Bi2 Cl6 2.5811(16) . ?
Bi2 Cl4 2.7066(17) 2_888 ?
Bi2 Cl7 2.7198(18) . ?
Bi2 Cl5 2.8628(16) 2_888 ?
Bi2 Cl5 2.8636(15) . ?
Bi3 Cl10 2.5079(18) . ?
Bi3 Cl11 2.6009(18) . ?
Bi3 Cl9 2.7204(18) . ?
Bi3 Cl12 2.7852(18) . ?
Bi3 Cl13 2.8713(16) . ?
Bi3 Cl7 2.9704(18) . ?
Cl1 Bi1 2.5185(18) . ?
Cl2 Bi1 2.5292(17) . ?
Cl3 Bi1 2.5575(18) . ?
Cl4 Bi2 2.7066(17) 2_888 ?
Cl4 Bi1 2.9975(17) . ?
Cl5 Bi2 2.8628(15) 2_888 ?
Cl12 Bi1 2.9283(17) . ?
Cl13 Bi1 2.9709(16) . ?
N1 C6 1.327(10) . ?
N1 C2 1.335(9) . ?
N1 C1 1.483(10) . ?
N2 C11 1.323(10) . ?
N2 C9 1.337(9) . ?
N2 C10 1.482(9) . ?
N3 C18 1.332(9) . ?
N3 C14 1.353(9) . ?
N3 C13 1.454(10) . ?
N4 C21 1.338(10) . ?
N4 C23 1.348(10) . ?
N4 C22 1.475(10) . ?
C1 H1A 0.96 . ?
C1 H1B 0.96 . ?
C1 H1C 0.96 . ?
C2 C3 1.357(10) . ?
C2 H6 0.93 . ?
C3 C4 1.372(9) . ?
C3 H5 0.93 . ?
C4 C5 1.383(10) . ?
C4 C7 1.488(10) . ?
C5 C6 1.371(11) . ?
C5 H3 0.93 . ?
C6 H2 0.93 . ?
C7 C12 1.365(9) . ?
C7 C8 1.382(9) . ?
C8 C9 1.352(10) . ?
C8 H8 0.93 . ?
C9 H9 0.93 . ?
C10 H10A 0.96 . ?
C10 H10B 0.96 . ?
C10 H10C 0.96 . ?
C11 C12 1.373(11) . ?
C11 H11 0.93 . ?
C12 H12 0.93 . ?
C13 H13A 0.96 . ?
C13 H13B 0.96 . ?
C13 H13C 0.96 . ?
C14 C15 1.353(10) . ?
C14 H14 0.93 . ?
C15 C16 1.399(9) . ?
C15 H15 0.93 . ?
C16 C17 1.380(9) . ?
C16 C19 1.463(9) . ?
C17 C18 1.379(11) . ?
C17 H17 0.93 . ?
C18 H18 0.93 . ?
C19 C24 1.379(9) . ?
C19 C20 1.392(9) . ?
C20 C21 1.358(10) . ?
C20 H20 0.93 . ?
C21 H21 0.93 . ?
C22 H22A 0.96 . ?
C22 H22B 0.96 . ?
C22 H22C 0.96 . ?
C23 C24 1.363(11) . ?
C23 H23 0.93 . ?
C24 H24 0.93 . ?
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
Cl8 Bi2 Cl5 Bi2 178.95(5) . . . 2_888 ?
Cl6 Bi2 Cl5 Bi2 25.7(14) . . . 2_888 ?
Cl4 Bi2 Cl5 Bi2 89.04(5) 2_888 . . 2_888 ?
Cl7 Bi2 Cl5 Bi2 -91.73(6) . . . 2_888 ?
Cl5 Bi2 Cl5 Bi2 0 2_888 . . 2_888 ?
Cl8 Bi2 Cl7 Bi3 -88.6(11) . . . . ?
Cl6 Bi2 Cl7 Bi3 3.9(11) . . . . ?
Cl4 Bi2 Cl7 Bi3 -25(3) 2_888 . . . ?
Cl5 Bi2 Cl7 Bi3 97.2(11) 2_888 . . . ?
Cl5 Bi2 Cl7 Bi3 -178.0(11) . . . . ?
Cl10 Bi3 Cl7 Bi2 -127.4(10) . . . . ?
Cl11 Bi3 Cl7 Bi2 -4.3(11) . . . . ?
Cl9 Bi3 Cl7 Bi2 89.7(11) . . . . ?
Cl12 Bi3 Cl7 Bi2 -95.9(11) . . . . ?
Cl13 Bi3 Cl7 Bi2 18E1(10) . . . . ?
Cl10 Bi3 Cl12 Bi1 93.49(6) . . . . ?
Cl11 Bi3 Cl12 Bi1 -176.31(6) . . . . ?
Cl9 Bi3 Cl12 Bi1 14.7(6) . . . . ?
Cl13 Bi3 Cl12 Bi1 3.98(5) . . . . ?
Cl7 Bi3 Cl12 Bi1 -84.16(6) . . . . ?
Cl10 Bi3 Cl13 Bi1 -93.58(6) . . . . ?
Cl11 Bi3 Cl13 Bi1 -8.8(10) . . . . ?
Cl9 Bi3 Cl13 Bi1 177.13(5) . . . . ?
Cl12 Bi3 Cl13 Bi1 -3.90(5) . . . . ?
Cl7 Bi3 Cl13 Bi1 82.82(5) . . . . ?
C6 N1 C2 C3 -0.1(11) . . . . ?
C1 N1 C2 C3 -178.9(7) . . . . ?
N1 C2 C3 C4 -0.2(12) . . . . ?
C2 C3 C4 C5 -0.4(11) . . . . ?
C2 C3 C4 C7 -180.0(7) . . . . ?
C3 C4 C5 C6 1.3(11) . . . . ?
C7 C4 C5 C6 -179.1(7) . . . . ?
C2 N1 C6 C5 1.0(12) . . . . ?
C1 N1 C6 C5 179.8(7) . . . . ?
C4 C5 C6 N1 -1.6(13) . . . . ?
C3 C4 C7 C12 175.5(7) . . . . ?
C5 C4 C7 C12 -4.1(10) . . . . ?
C3 C4 C7 C8 -3.6(10) . . . . ?
C5 C4 C7 C8 176.9(6) . . . . ?
C12 C7 C8 C9 2.5(11) . . . . ?
C4 C7 C8 C9 -178.4(6) . . . . ?
C11 N2 C9 C8 0.0(11) . . . . ?
C10 N2 C9 C8 -179.7(7) . . . . ?
C7 C8 C9 N2 -1.5(11) . . . . ?
C9 N2 C11 C12 0.5(12) . . . . ?
C10 N2 C11 C12 -179.8(8) . . . . ?
C8 C7 C12 C11 -2.0(12) . . . . ?
C4 C7 C12 C11 178.9(7) . . . . ?
N2 C11 C12 C7 0.5(14) . . . . ?
C18 N3 C14 C15 -1.1(10) . . . . ?
C13 N3 C14 C15 178.1(7) . . . . ?
N3 C14 C15 C16 0.1(11) . . . . ?
C14 C15 C16 C17 0.5(10) . . . . ?
C14 C15 C16 C19 179.8(6) . . . . ?
C15 C16 C17 C18 -0.2(10) . . . . ?
C19 C16 C17 C18 -179.5(6) . . . . ?
C14 N3 C18 C17 1.4(11) . . . . ?
C13 N3 C18 C17 -177.8(7) . . . . ?
C16 C17 C18 N3 -0.8(11) . . . . ?
C17 C16 C19 C24 -9.6(10) . . . . ?
C15 C16 C19 C24 171.1(7) . . . . ?
C17 C16 C19 C20 169.0(7) . . . . ?
C15 C16 C19 C20 -10.2(9) . . . . ?
C24 C19 C20 C21 1.9(10) . . . . ?
C16 C19 C20 C21 -176.8(6) . . . . ?
C23 N4 C21 C20 0.6(11) . . . . ?
C22 N4 C21 C20 175.9(7) . . . . ?
C19 C20 C21 N4 -1.4(12) . . . . ?
C21 N4 C23 C24 -0.4(12) . . . . ?
C22 N4 C23 C24 -175.7(8) . . . . ?
N4 C23 C24 C19 1.0(13) . . . . ?
C20 C19 C24 C23 -1.7(11) . . . . ?
C16 C19 C24 C23 177.0(7) . . . . ?
Bi3 Cl12 Bi1 Cl1 -96.22(7) . . . . ?
Bi3 Cl12 Bi1 Cl2 176.82(6) . . . . ?
Bi3 Cl12 Bi1 Cl3 -21.1(3) . . . . ?
Bi3 Cl12 Bi1 Cl13 -3.88(5) . . . . ?
Bi3 Cl12 Bi1 Cl4 90.41(6) . . . . ?
Bi3 Cl13 Bi1 Cl1 90.73(6) . . . . ?
Bi3 Cl13 Bi1 Cl2 16.3(10) . . . . ?
Bi3 Cl13 Bi1 Cl3 -179.77(6) . . . . ?
Bi3 Cl13 Bi1 Cl12 3.74(5) . . . . ?
Bi3 Cl13 Bi1 Cl4 -93.01(5) . . . . ?
Bi2 Cl4 Bi1 Cl1 -112.7(7) 2_888 . . . ?
Bi2 Cl4 Bi1 Cl2 -82.5(6) 2_888 . . . ?
Bi2 Cl4 Bi1 Cl3 -177.9(6) 2_888 . . . ?
Bi2 Cl4 Bi1 Cl12 13.2(6) 2_888 . . . ?
Bi2 Cl4 Bi1 Cl13 94.5(6) 2_888 . . . ?
