#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:17:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179239 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/59/4315997.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_4315997
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         'Bi6 Cl25.6 I0.4, 4(C12 H14 N2)'
_chemical_formula_sum            'C48 H56 Bi6 Cl25.6 I0.4 N8'
_chemical_formula_weight         2957.25
_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             2009-12-03T17:12:14-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                103.027(7)
_cell_angle_beta                 96.320(9)
_cell_angle_gamma                108.018(8)
_cell_formula_units_Z            1
_cell_length_a                   9.3912(9)
_cell_length_b                   12.5094(9)
_cell_length_c                   19.094(2)
_cell_measurement_reflns_used    9022
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_measurement_wavelength     0.71073
_cell_volume                     2038.7(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    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0962
_diffrn_reflns_av_unetI/netI     0.1336
_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            45909
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    14.171
_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    2.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1393
_exptl_crystal_size_max          0.257
_exptl_crystal_size_mid          0.114
_exptl_crystal_size_min          0.087
_refine_diff_density_max         1.733
_refine_diff_density_min         -1.239
_refine_diff_density_rms         0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         11819
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.1604
_refine_ls_R_factor_gt           0.0574
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0312P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.1043
_reflns_number_gt                5817
_reflns_number_total             11819
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901525p_si_002_6.cif
_cod_data_source_block           3b
_cod_database_code               4315997
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 0.15093(4) 0.05711(3) 1.271941(19) 0.03110(10) Uani 1 1 d . . .
Bi2 Bi 0.45583(4) 0.36525(3) 1.55305(2) 0.02706(9) Uani 1 1 d . . .
Bi3 Bi 0.25324(4) 0.33184(3) 1.163351(19) 0.03254(11) Uani 1 1 d . . .
I1 I 0.5120(18) 0.4398(10) 1.0878(8) 0.052(2) Uani 0.208(4) 1 d P . .
Cl1 Cl -0.0114(3) -0.0913(2) 1.15546(15) 0.0602(8) Uani 1 1 d . . .
Cl2 Cl -0.0579(3) -0.0281(2) 1.33727(15) 0.0572(8) Uani 1 1 d . . .
Cl3 Cl 0.2970(3) -0.0802(2) 1.28903(18) 0.0675(9) Uani 1 1 d . . .
Cl4 Cl 0.3233(3) 0.2102(2) 1.42104(14) 0.0512(7) Uani 1 1 d . . .
Cl5 Cl 0.3063(2) 0.51563(19) 1.51228(13) 0.0382(6) Uani 1 1 d . . .
Cl6 Cl 0.5956(3) 0.2301(2) 1.58586(15) 0.0515(7) Uani 1 1 d . . .
Cl7 Cl 0.5907(3) 0.5151(2) 1.68830(14) 0.0535(7) Uani 1 1 d . . .
Cl8 Cl 0.2248(3) 0.2696(2) 1.60579(15) 0.0480(7) Uani 1 1 d . . .
Cl9 Cl 0.4881(17) 0.4203(11) 1.1009(8) 0.063(3) Uani 0.792(4) 1 d P . .
Cl10 Cl 0.1147(3) 0.1919(2) 1.04100(15) 0.0592(8) Uani 1 1 d . . .
Cl11 Cl 0.1182(3) 0.4768(2) 1.13976(16) 0.0596(8) Uani 1 1 d . . .
Cl12 Cl 0.0214(3) 0.2223(2) 1.22801(15) 0.0468(7) Uani 1 1 d . . .
Cl13 Cl 0.3867(3) 0.1650(2) 1.19240(14) 0.0427(6) Uani 1 1 d . . .
N1 N 0.9173(9) 0.5645(7) 1.2760(5) 0.044(2) Uani 1 1 d . . .
N2 N 0.7861(10) 0.1233(7) 1.4559(5) 0.047(2) Uani 1 1 d . . .
N3 N 0.5733(8) 0.8067(8) 1.1854(5) 0.045(2) Uani 1 1 d . . .
N4 N 0.7791(8) 1.2205(8) 0.9895(6) 0.052(2) Uani 1 1 d . . .
C1 C 0.9438(13) 0.6599(9) 1.2407(7) 0.065(4) Uani 1 1 d . . .
H1A H 0.8839 0.6309 1.1919 0.097 Uiso 1 1 calc R . .
H1B H 1.05 0.69 1.2386 0.097 Uiso 1 1 calc R . .
H1C H 0.9147 0.7212 1.2685 0.097 Uiso 1 1 calc R . .
C2 C 1.0313(12) 0.5569(10) 1.3195(7) 0.068(4) Uani 1 1 d . . .
H2 H 1.129 0.6108 1.3262 0.082 Uiso 1 1 calc R . .
C3 C 1.0084(11) 0.4724(10) 1.3544(6) 0.057(3) Uani 1 1 d . . .
H3 H 1.09 0.4685 1.3848 0.068 Uiso 1 1 calc R . .
C4 C 0.8627(10) 0.3905(7) 1.3449(5) 0.032(2) Uani 1 1 d . . .
C5 C 0.7468(11) 0.3987(9) 1.2996(7) 0.059(3) Uani 1 1 d . . .
H5 H 0.6483 0.3455 1.2916 0.071 Uiso 1 1 calc R . .
C6 C 0.7775(12) 0.4864(9) 1.2659(6) 0.056(3) Uani 1 1 d . . .
H6 H 0.6982 0.4918 1.2347 0.067 Uiso 1 1 calc R . .
C7 C 0.8357(10) 0.2959(8) 1.3822(5) 0.037(2) Uani 1 1 d . . .
C8 C 0.6913(10) 0.2175(9) 1.3777(6) 0.047(3) Uani 1 1 d . . .
H8 H 0.6077 0.2224 1.3492 0.057 Uiso 1 1 calc R . .
C9 C 0.6692(11) 0.1330(9) 1.4142(6) 0.046(3) Uani 1 1 d . . .
H9 H 0.571 0.0814 1.4099 0.056 Uiso 1 1 calc R . .
C10 C 0.7597(13) 0.0320(9) 1.4960(6) 0.063(3) Uani 1 1 d . . .
H10A H 0.8027 -0.0253 1.4751 0.094 Uiso 1 1 calc R . .
H10B H 0.652 -0.0051 1.4921 0.094 Uiso 1 1 calc R . .
H10C H 0.8074 0.0675 1.5466 0.094 Uiso 1 1 calc R . .
C11 C 0.9270(13) 0.1949(9) 1.4612(7) 0.069(4) Uani 1 1 d . . .
H11 H 1.0093 0.1863 1.4883 0.083 Uiso 1 1 calc R . .
C12 C 0.9504(13) 0.2825(9) 1.4261(7) 0.067(4) Uani 1 1 d . . .
H12 H 1.049 0.3349 1.4326 0.08 Uiso 1 1 calc R . .
C13 C 0.5303(13) 0.7206(9) 1.2283(6) 0.069(4) Uani 1 1 d . . .
H13A H 0.4338 0.7175 1.2417 0.104 Uiso 1 1 calc R . .
H13B H 0.6068 0.7438 1.2718 0.104 Uiso 1 1 calc R . .
H13C H 0.5224 0.6449 1.1992 0.104 Uiso 1 1 calc R . .
C14 C 0.5719(11) 0.7725(9) 1.1154(7) 0.053(3) Uani 1 1 d . . .
H14 H 0.5441 0.6931 1.0925 0.063 Uiso 1 1 calc R . .
C15 C 0.6102(11) 0.8501(8) 1.0750(5) 0.046(3) Uani 1 1 d . . .
H15 H 0.6113 0.8235 1.0256 0.056 Uiso 1 1 calc R . .
C16 C 0.6470(10) 0.9673(9) 1.1067(6) 0.042(3) Uani 1 1 d . . .
C17 C 0.6497(10) 1.0026(8) 1.1808(6) 0.046(3) Uani 1 1 d . . .
H17 H 0.6781 1.0814 1.2053 0.055 Uiso 1 1 calc R . .
C18 C 0.6089(10) 0.9172(10) 1.2182(6) 0.051(3) Uani 1 1 d . . .
H18 H 0.6071 0.94 1.2678 0.062 Uiso 1 1 calc R . .
C19 C 0.6902(9) 1.0564(9) 1.0654(6) 0.040(2) Uani 1 1 d . . .
C20 C 0.7157(10) 1.0256(9) 0.9955(6) 0.046(3) Uani 1 1 d . . .
H20 H 0.7039 0.9483 0.9732 0.056 Uiso 1 1 calc R . .
C21 C 0.7580(11) 1.1079(10) 0.9587(6) 0.060(3) Uani 1 1 d . . .
H21 H 0.7727 1.0855 0.911 0.072 Uiso 1 1 calc R . .
C22 C 0.8347(15) 1.3100(10) 0.9490(7) 0.093(5) Uani 1 1 d . . .
H22A H 0.7867 1.2779 0.8981 0.14 Uiso 1 1 calc R . .
H22B H 0.9433 1.3317 0.9535 0.14 Uiso 1 1 calc R . .
H22C H 0.8095 1.3778 0.9693 0.14 Uiso 1 1 calc R . .
C23 C 0.7523(12) 1.2509(10) 1.0558(7) 0.063(3) Uani 1 1 d . . .
H23 H 0.7635 1.3285 1.0767 0.075 Uiso 1 1 calc R . .
C24 C 0.7090(11) 1.1724(10) 1.0942(6) 0.053(3) Uani 1 1 d . . .
H24 H 0.6914 1.1969 1.1412 0.064 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'
I I -0.474 1.812 '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
Cl1 Bi1 Cl2 87.46(9) . . ?
Cl1 Bi1 Cl3 89.84(10) . . ?
Cl2 Bi1 Cl3 95.31(10) . . ?
Cl1 Bi1 Cl12 86.87(9) . . ?
Cl2 Bi1 Cl12 96.27(8) . . ?
Cl3 Bi1 Cl12 167.80(9) . . ?
Cl1 Bi1 Cl13 92.04(8) . . ?
Cl2 Bi1 Cl13 176.84(8) . . ?
Cl3 Bi1 Cl13 87.81(8) . . ?
Cl12 Bi1 Cl13 80.58(7) . . ?
Cl1 Bi1 Cl4 172.24(9) . . ?
Cl2 Bi1 Cl4 85.70(8) . . ?
Cl3 Bi1 Cl4 87.14(9) . . ?
Cl12 Bi1 Cl4 97.52(7) . . ?
Cl13 Bi1 Cl4 94.99(7) . . ?
Cl10 Bi3 Cl11 90.38(9) . . ?
Cl10 Bi3 Cl9 88.9(3) . . ?
Cl11 Bi3 Cl9 94.2(3) . . ?
Cl10 Bi3 Cl12 90.00(9) . . ?
Cl11 Bi3 Cl12 91.39(8) . . ?
Cl9 Bi3 Cl12 174.3(3) . . ?
Cl10 Bi3 Cl13 89.30(8) . . ?
Cl11 Bi3 Cl13 176.64(8) . . ?
Cl9 Bi3 Cl13 89.1(3) . . ?
Cl12 Bi3 Cl13 85.26(7) . . ?
Cl10 Bi3 Cl7 176.47(9) . 2_668 ?
Cl11 Bi3 Cl7 91.70(8) . 2_668 ?
Cl9 Bi3 Cl7 93.8(3) . 2_668 ?
Cl12 Bi3 Cl7 87.10(7) . 2_668 ?
Cl13 Bi3 Cl7 88.46(7) . 2_668 ?
Cl10 Bi3 I1 88.0(3) . . ?
Cl11 Bi3 I1 91.2(3) . . ?
Cl9 Bi3 I1 3.1(6) . . ?
Cl12 Bi3 I1 176.7(2) . . ?
Cl13 Bi3 I1 92.1(3) . . ?
Cl7 Bi3 I1 94.8(3) 2_668 . ?
Bi2 Cl4 Bi1 172.49(11) . . ?
Bi2 Cl5 Bi2 95.44(6) 2_668 . ?
Bi2 Cl7 Bi3 176.57(11) . 2_668 ?
Bi3 Cl12 Bi1 98.61(7) . . ?
Bi3 Cl13 Bi1 95.28(6) . . ?
C2 N1 C6 119.4(10) . . ?
C2 N1 C1 120.2(9) . . ?
C6 N1 C1 120.4(10) . . ?
C11 N2 C9 119.9(10) . . ?
C11 N2 C10 119.6(9) . . ?
C9 N2 C10 120.5(9) . . ?
C18 N3 C14 120.1(10) . . ?
C18 N3 C13 119.0(9) . . ?
C14 N3 C13 120.9(9) . . ?
C23 N4 C21 118.9(10) . . ?
C23 N4 C22 120.8(10) . . ?
C21 N4 C22 120.3(10) . . ?
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 121.1(10) . . ?
N1 C2 H2 119.4 . . ?
C3 C2 H2 119.4 . . ?
C2 C3 C4 120.3(10) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 118.1(10) . . ?
C5 C4 C7 121.0(9) . . ?
C3 C4 C7 121.0(9) . . ?
C4 C5 C6 118.8(10) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
N1 C6 C5 122.3(10) . . ?
N1 C6 H6 118.8 . . ?
C5 C6 H6 118.8 . . ?
C12 C7 C8 114.9(11) . . ?
C12 C7 C4 122.6(9) . . ?
C8 C7 C4 122.5(9) . . ?
C9 C8 C7 121.3(10) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
N2 C9 C8 121.2(9) . . ?
N2 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
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 119.4(10) . . ?
N2 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C7 C12 C11 123.2(11) . . ?
C7 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
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 . . ?
N3 C14 C15 121.7(9) . . ?
N3 C14 H14 119.1 . . ?
C15 C14 H14 119.1 . . ?
C14 C15 C16 120.4(10) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C15 C16 C17 117.5(10) . . ?
C15 C16 C19 122.8(9) . . ?
C17 C16 C19 119.7(9) . . ?
C16 C17 C18 118.5(9) . . ?
C16 C17 H17 120.8 . . ?
C18 C17 H17 120.8 . . ?
N3 C18 C17 121.8(10) . . ?
N3 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C20 C19 C24 116.4(10) . . ?
C20 C19 C16 120.4(9) . . ?
C24 C19 C16 123.1(10) . . ?
C21 C20 C19 120.0(10) . . ?
C21 C20 H20 120 . . ?
C19 C20 H20 120 . . ?
N4 C21 C20 121.8(10) . . ?
N4 C21 H21 119.1 . . ?
C20 C21 H21 119.1 . . ?
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 121.5(11) . . ?
N4 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C23 C24 C19 121.3(10) . . ?
C23 C24 H24 119.3 . . ?
C19 C24 H24 119.3 . . ?
Cl8 Bi2 Cl6 92.47(9) . . ?
Cl8 Bi2 Cl4 89.86(8) . . ?
Cl6 Bi2 Cl4 90.26(8) . . ?
Cl8 Bi2 Cl7 89.30(8) . . ?
Cl6 Bi2 Cl7 87.79(8) . . ?
Cl4 Bi2 Cl7 177.84(9) . . ?
Cl8 Bi2 Cl5 173.79(8) . 2_668 ?
Cl6 Bi2 Cl5 93.63(8) . 2_668 ?
Cl4 Bi2 Cl5 88.98(7) . 2_668 ?
Cl7 Bi2 Cl5 92.06(8) . 2_668 ?
Cl8 Bi2 Cl5 89.32(8) . . ?
Cl6 Bi2 Cl5 177.93(8) . . ?
Cl4 Bi2 Cl5 88.72(8) . . ?
Cl7 Bi2 Cl5 93.27(8) . . ?
Cl5 Bi2 Cl5 84.56(6) 2_668 . ?
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
Bi1 Cl1 2.522(3) . ?
Bi1 Cl2 2.527(2) . ?
Bi1 Cl3 2.559(3) . ?
Bi1 Cl12 2.927(3) . ?
Bi1 Cl13 2.974(2) . ?
Bi1 Cl4 3.000(2) . ?
Bi3 Cl10 2.509(3) . ?
Bi3 Cl11 2.601(3) . ?
Bi3 Cl9 2.679(10) . ?
Bi3 Cl12 2.766(2) . ?
Bi3 Cl13 2.868(2) . ?
Bi3 Cl7 2.957(2) 2_668 ?
Bi3 I1 3.071(11) . ?
Cl4 Bi2 2.697(2) . ?
Cl5 Bi2 2.856(2) 2_668 ?
Cl5 Bi2 2.858(2) . ?
Cl6 Bi2 2.578(2) . ?
Cl7 Bi2 2.723(2) . ?
Cl7 Bi3 2.957(2) 2_668 ?
Cl8 Bi2 2.563(2) . ?
N1 C2 1.323(13) . ?
N1 C6 1.334(11) . ?
N1 C1 1.469(12) . ?
N2 C11 1.327(13) . ?
N2 C9 1.337(12) . ?
N2 C10 1.488(12) . ?
N3 C18 1.302(11) . ?
N3 C14 1.307(12) . ?
N3 C13 1.481(12) . ?
N4 C23 1.313(13) . ?
N4 C21 1.340(12) . ?
N4 C22 1.497(13) . ?
C1 H1A 0.96 . ?
C1 H1B 0.96 . ?
C1 H1C 0.96 . ?
C2 C3 1.347(15) . ?
C2 H2 0.93 . ?
C3 C4 1.396(12) . ?
C3 H3 0.93 . ?
C4 C5 1.359(12) . ?
C4 C7 1.486(13) . ?
C5 C6 1.365(14) . ?
C5 H5 0.93 . ?
C6 H6 0.93 . ?
C7 C12 1.365(13) . ?
C7 C8 1.386(12) . ?
C8 C9 1.370(13) . ?
C8 H8 0.93 . ?
C9 H9 0.93 . ?
C10 H10A 0.96 . ?
C10 H10B 0.96 . ?
C10 H10C 0.96 . ?
C11 C12 1.384(15) . ?
C11 H11 0.93 . ?
C12 H12 0.93 . ?
C13 H13A 0.96 . ?
C13 H13B 0.96 . ?
C13 H13C 0.96 . ?
C14 C15 1.360(13) . ?
C14 H14 0.93 . ?
C15 C16 1.369(12) . ?
C15 H15 0.93 . ?
C16 C17 1.378(13) . ?
C16 C19 1.489(13) . ?
C17 C18 1.395(13) . ?
C17 H17 0.93 . ?
C18 H18 0.93 . ?
C19 C20 1.372(13) . ?
C19 C24 1.379(13) . ?
C20 C21 1.358(13) . ?
C20 H20 0.93 . ?
C21 H21 0.93 . ?
C22 H22A 0.96 . ?
C22 H22B 0.96 . ?
C22 H22C 0.96 . ?
C23 C24 1.346(14) . ?
C23 H23 0.93 . ?
C24 H24 0.93 . ?
Bi2 Cl5 2.856(2) 2_668 ?
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
Cl1 Bi1 Cl4 Bi2 -108.6(9) . . . . ?
Cl2 Bi1 Cl4 Bi2 -80.3(8) . . . . ?
Cl3 Bi1 Cl4 Bi2 -175.9(8) . . . . ?
Cl12 Bi1 Cl4 Bi2 15.5(8) . . . . ?
Cl13 Bi1 Cl4 Bi2 96.6(8) . . . . ?
Cl10 Bi3 Cl12 Bi1 93.32(9) . . . . ?
Cl11 Bi3 Cl12 Bi1 -176.30(8) . . . . ?
Cl9 Bi3 Cl12 Bi1 14(4) . . . . ?
Cl13 Bi3 Cl12 Bi1 4.03(7) . . . . ?
Cl7 Bi3 Cl12 Bi1 -84.66(8) 2_668 . . . ?
I1 Bi3 Cl12 Bi1 40(6) . . . . ?
Cl1 Bi1 Cl12 Bi3 -96.52(9) . . . . ?
Cl2 Bi1 Cl12 Bi3 176.39(8) . . . . ?
Cl3 Bi1 Cl12 Bi3 -22.0(4) . . . . ?
Cl13 Bi1 Cl12 Bi3 -3.92(7) . . . . ?
Cl4 Bi1 Cl12 Bi3 89.92(8) . . . . ?
Cl10 Bi3 Cl13 Bi1 -94.00(9) . . . . ?
Cl11 Bi3 Cl13 Bi1 -9.5(14) . . . . ?
Cl9 Bi3 Cl13 Bi1 177.1(3) . . . . ?
Cl12 Bi3 Cl13 Bi1 -3.94(7) . . . . ?
Cl7 Bi3 Cl13 Bi1 83.27(7) 2_668 . . . ?
I1 Bi3 Cl13 Bi1 178.0(3) . . . . ?
Cl1 Bi1 Cl13 Bi3 90.24(9) . . . . ?
Cl2 Bi1 Cl13 Bi3 9.5(14) . . . . ?
Cl3 Bi1 Cl13 Bi3 180.00(9) . . . . ?
Cl12 Bi1 Cl13 Bi3 3.76(7) . . . . ?
Cl4 Bi1 Cl13 Bi3 -93.06(7) . . . . ?
C6 N1 C2 C3 -0.7(17) . . . . ?
C1 N1 C2 C3 177.8(10) . . . . ?
N1 C2 C3 C4 0.2(17) . . . . ?
C2 C3 C4 C5 0.4(15) . . . . ?
C2 C3 C4 C7 179.3(10) . . . . ?
C3 C4 C5 C6 -0.4(15) . . . . ?
C7 C4 C5 C6 -179.3(9) . . . . ?
C2 N1 C6 C5 0.8(16) . . . . ?
C1 N1 C6 C5 -177.7(10) . . . . ?
C4 C5 C6 N1 -0.2(16) . . . . ?
C5 C4 C7 C12 177.6(9) . . . . ?
C3 C4 C7 C12 -1.2(13) . . . . ?
C5 C4 C7 C8 -5.1(13) . . . . ?
C3 C4 C7 C8 176.0(9) . . . . ?
C12 C7 C8 C9 -0.9(14) . . . . ?
C4 C7 C8 C9 -178.3(9) . . . . ?
C11 N2 C9 C8 -1.3(14) . . . . ?
C10 N2 C9 C8 179.2(9) . . . . ?
C7 C8 C9 N2 0.3(15) . . . . ?
C9 N2 C11 C12 3.0(16) . . . . ?
C10 N2 C11 C12 -177.5(10) . . . . ?
C8 C7 C12 C11 2.6(16) . . . . ?
C4 C7 C12 C11 180.0(10) . . . . ?
N2 C11 C12 C7 -3.7(18) . . . . ?
C18 N3 C14 C15 1.4(15) . . . . ?
C13 N3 C14 C15 179.6(9) . . . . ?
N3 C14 C15 C16 -2.1(16) . . . . ?
C14 C15 C16 C17 2.6(14) . . . . ?
C14 C15 C16 C19 179.8(9) . . . . ?
C15 C16 C17 C18 -2.6(14) . . . . ?
C19 C16 C17 C18 -179.9(8) . . . . ?
C14 N3 C18 C17 -1.5(15) . . . . ?
C13 N3 C18 C17 -179.7(9) . . . . ?
C16 C17 C18 N3 2.1(15) . . . . ?
C15 C16 C19 C20 -9.2(14) . . . . ?
C17 C16 C19 C20 167.9(9) . . . . ?
C15 C16 C19 C24 171.7(9) . . . . ?
C17 C16 C19 C24 -11.2(14) . . . . ?
C24 C19 C20 C21 0.5(14) . . . . ?
C16 C19 C20 C21 -178.7(9) . . . . ?
C23 N4 C21 C20 -2.7(15) . . . . ?
C22 N4 C21 C20 176.4(10) . . . . ?
C19 C20 C21 N4 1.4(15) . . . . ?
C21 N4 C23 C24 2.1(16) . . . . ?
C22 N4 C23 C24 -177.0(10) . . . . ?
N4 C23 C24 C19 -0.3(17) . . . . ?
C20 C19 C24 C23 -1.0(15) . . . . ?
C16 C19 C24 C23 178.1(10) . . . . ?
Bi1 Cl4 Bi2 Cl8 78.5(8) . . . . ?
Bi1 Cl4 Bi2 Cl6 171.0(8) . . . . ?
Bi1 Cl4 Bi2 Cl7 145.8(18) . . . . ?
Bi1 Cl4 Bi2 Cl5 -95.4(8) . . . 2_668 ?
Bi1 Cl4 Bi2 Cl5 -10.8(8) . . . . ?
Bi3 Cl7 Bi2 Cl8 95.1(18) 2_668 . . . ?
Bi3 Cl7 Bi2 Cl6 2.6(18) 2_668 . . . ?
Bi3 Cl7 Bi2 Cl4 28(3) 2_668 . . . ?
Bi3 Cl7 Bi2 Cl5 -91.0(18) 2_668 . . 2_668 ?
Bi3 Cl7 Bi2 Cl5 -175.7(18) 2_668 . . . ?
Bi2 Cl5 Bi2 Cl8 -178.98(8) 2_668 . . . ?
Bi2 Cl5 Bi2 Cl6 -29(2) 2_668 . . . ?
Bi2 Cl5 Bi2 Cl4 -89.10(8) 2_668 . . . ?
Bi2 Cl5 Bi2 Cl7 91.76(8) 2_668 . . . ?
Bi2 Cl5 Bi2 Cl5 0 2_668 . . 2_668 ?
