##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
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# are given in the paper "The Crystallographic Information File (CIF):       #
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# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis(5-amino-4-aminocarbonyl-1H-imidazol-3-ium)(5-amino-4-aminocarbonyl-
1H-imidazol-3-ium-\kO)-di-μ-chlorido-heptachlorido-dibismuth(III)
monohydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     '2(C4 H7 N4 O +), C4 H7 Bi2 Cl9 N4 O 2-, H2 O'
_chemical_formula_sum     'C12 H23 Bi2 Cl9 N12 O4'
_chemical_formula_iupac     '(C4 H7 N4 O)2 [Bi2 Cl9 (C4 H7 N4 O)], H2 O'
_chemical_formula_weight     1136.43
_chemical_melting_point     ?
_symmetry_cell_setting     Triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     11.3365(5)
_cell_length_b     12.2486(6)
_cell_length_c     12.7919(6)
_cell_angle_alpha     74.433(3)
_cell_angle_beta     65.939(3)
_cell_angle_gamma     75.397(3)
_cell_volume     1541.71(12)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     5695
_cell_measurement_theta_min     1.8
_cell_measurement_theta_max     25.5
_cell_measurement_temperature     123(2)
_exptl_crystal_description     Block
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.25
_exptl_crystal_size_mid     0.22
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     2.448
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1060
_exptl_absorpt_coefficient_mu     12.223
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(Jacobson, 1998)'
_exptl_absorpt_correction_T_min     0.1501
_exptl_absorpt_correction_T_max     0.1936
_exptl_special_details
;
;
_diffrn_ambient_temperature     123(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku Mercury'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     7.31
_diffrn_reflns_number     18217
_diffrn_reflns_av_R_equivalents     0.0634
_diffrn_reflns_av_sigmaI/netI     0.0675
_diffrn_reflns_theta_min     1.75
_diffrn_reflns_theta_max     25.50
_diffrn_reflns_theta_full     25.50
_diffrn_measured_fraction_theta_max     0.990
_diffrn_measured_fraction_theta_full     0.990
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     15
_diffrn_standards_number     ?
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R-factors based on ALL data will be
even larger.
;
_reflns_number_total     5695
_reflns_number_gt     4988
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0806
_refine_ls_R_factor_gt     0.0745
_refine_ls_wR_factor_gt     0.2155
_refine_ls_wR_factor_ref     0.2230
_refine_ls_goodness_of_fit_ref     1.104
_refine_ls_restrained_S_all     1.103
_refine_ls_number_reflns     5695
_refine_ls_number_parameters     359
_refine_ls_number_restraints     2
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
        'calc w=1/[σ²(Fo²)+(0.1568P)²+11.6845P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     5.851
_refine_diff_density_min     -4.412
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0044(6)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
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'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Bi' 'Bi' -4.1077 10.2566
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrystalClear (Rigaku, 2001)'
_computing_cell_refinement     'CrystalClear (Rigaku, 2001)'
_computing_data_reduction     'CrystalStructure (Rigaku/MSC, 2004)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
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
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Bi Bi1 0.88808(4) 0.20130(4) 0.77380(4) 0.0190(2) Uani d . 1 . .
    Bi Bi2 1.29373(4) 0.22332(4) 0.68713(4) 0.0197(2) Uani d . 1 . .
    Cl Cl1 0.7650(4) 0.0403(3) 0.9119(3) 0.0322(8) Uani d . 1 . .
    Cl Cl2 0.6905(4) 0.3183(3) 0.7184(3) 0.0327(8) Uani d . 1 . .
    Cl Cl3 0.9668(4) 0.0975(3) 0.5986(3) 0.0260(8) Uani d . 1 . .
    Cl Cl4 1.1107(4) 0.0608(3) 0.8230(3) 0.0279(8) Uani d . 1 . .
    Cl Cl5 1.0678(4) 0.3675(3) 0.6497(3) 0.0351(9) Uani d . 1 . .
    Cl Cl6 1.3711(4) 0.1462(3) 0.4887(3) 0.0303(8) Uani d . 1 . .
    Cl Cl7 1.4310(4) 0.3802(3) 0.5692(3) 0.0310(8) Uani d . 1 . .
    Cl Cl8 1.4877(4) 0.0783(3) 0.7303(3) 0.0297(8) Uani d . 1 . .
    Cl Cl9 1.2315(4) 0.3140(3) 0.8792(3) 0.0332(9) Uani d . 1 . .
    O O1 0.8130(11) 0.2826(10) 0.9511(9) 0.032(2) Uani d . 1 . .
    O O2 0.6215(10) 0.5277(8) 0.8614(8) 0.028(2) Uani d . 1 . .
    O O3 0.9864(12) 0.3596(10) 0.1801(10) 0.037(3) Uani d . 1 . .
    O O4 0.4595(11) 0.1325(10) 0.9725(9) 0.036(2) Uani d D 1 . .
    H H4C 0.448(17) 0.134(15) 0.913(9) 0.043 Uiso d D 1 . .
    H H4D 0.535(6) 0.100(14) 0.965(16) 0.043 Uiso d D 1 . .
    N N1 0.5550(11) 0.3189(10) 1.2864(10) 0.023(2) Uani d . 1 . .
    H H1 0.5002 0.2801 1.3472 0.027 Uiso calc R 1 . .
    N N2 0.6655(10) 0.4515(9) 1.1772(9) 0.021(2) Uani d . 1 . .
    H H2 0.6968 0.5165 1.1522 0.025 Uiso calc R 1 . .
    N N3 0.6306(14) 0.1787(11) 1.1651(12) 0.030(3) Uani d . 1 . .
    H H3A 0.6824 0.1572 1.0986 0.036 Uiso calc R 1 . .
    H H3B 0.5778 0.1332 1.2196 0.036 Uiso calc R 1 . .
    N N4 0.8721(12) 0.4479(11) 0.9441(11) 0.032(3) Uani d . 1 . .
    H H4A 0.9323 0.4469 0.8739 0.038 Uiso calc R 1 . .
    H H4B 0.8592 0.5043 0.9799 0.038 Uiso calc R 1 . .
    N N5 0.7091(11) 0.8051(10) 0.8213(10) 0.026(3) Uani d . 1 . .
    H H5 0.6647 0.8364 0.8836 0.031 Uiso calc R 1 . .
    N N6 0.8406(12) 0.7822(10) 0.6487(10) 0.026(3) Uani d . 1 . .
    H H6 0.8993 0.7956 0.5778 0.032 Uiso calc R 1 . .
    N N7 0.8068(18) 0.5992(14) 0.6422(13) 0.049(4) Uani d . 1 . .
    H H7A 0.8624 0.6028 0.5697 0.059 Uiso calc R 1 . .
    H H7B 0.7669 0.5390 0.6781 0.059 Uiso calc R 1 . .
    N N8 0.5411(11) 0.6387(11) 1.0021(10) 0.029(3) Uani d . 1 . .
    H H8A 0.4925 0.5889 1.0546 0.035 Uiso calc R 1 . .
    H H8B 0.5414 0.7033 1.0198 0.035 Uiso calc R 1 . .
    N N9 0.7241(11) 0.2073(10) 0.4935(10) 0.024(2) Uani d . 1 . .
    H H9 0.6776 0.2215 0.5642 0.029 Uiso calc R 1 . .
    N N10 0.8048(11) 0.1235(10) 0.3465(10) 0.023(2) Uani d . 1 . .
    H H10 0.8222 0.0725 0.3029 0.028 Uiso calc R 1 . .
    N N11 0.8338(14) 0.3714(11) 0.4186(12) 0.036(3) Uani d . 1 . .
    H H11A 0.8904 0.4112 0.3607 0.043 Uiso calc R 1 . .
    H H11B 0.7929 0.3944 0.4859 0.043 Uiso calc R 1 . .
    N N12 0.9985(13) 0.2033(12) 0.1141(11) 0.030(3) Uani d . 1 . .
    H H12A 1.0563 0.2282 0.0459 0.037 Uiso calc R 1 . .
    H H12B 0.9727 0.1373 0.1270 0.037 Uiso calc R 1 . .
    C C1 0.7034(12) 0.3655(11) 1.1141(11) 0.020(3) Uani d . 1 . .
    C C2 0.6319(12) 0.2801(11) 1.1833(11) 0.019(3) Uani d . 1 . .
    C C3 0.5752(16) 0.4227(14) 1.2810(13) 0.030(3) Uani d . 1 . .
    H H3 0.5331 0.4677 1.3402 0.036 Uiso calc R 1 . .
    C C4 0.7999(13) 0.3635(13) 0.9963(11) 0.025(3) Uani d . 1 . .
    C C5 0.7001(12) 0.7001(11) 0.8102(12) 0.021(3) Uani d . 1 . .
    C C6 0.7828(13) 0.6855(13) 0.6981(12) 0.023(3) Uani d . 1 . .
    C C7 0.7944(16) 0.8524(17) 0.7245(16) 0.036(4) Uani d . 1 . .
    H H7 0.8190 0.9250 0.7110 0.043 Uiso calc R 1 . .
    C C8 0.6157(13) 0.6159(12) 0.8940(11) 0.022(3) Uani d . 1 . .
    C C9 0.8589(13) 0.2245(12) 0.3115(12) 0.022(3) Uani d . 1 . .
    C C10 0.8098(13) 0.2759(12) 0.4041(12) 0.023(3) Uani d . 1 . .
    C C11 0.7240(12) 0.1182(10) 0.4551(11) 0.020(3) Uani d . 1 . .
    H H11 0.6732 0.0589 0.4993 0.024 Uiso calc R 1 . .
    C C12 0.9513(13) 0.2642(12) 0.1958(12) 0.022(3) Uani d . 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
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
    Bi1 O1 . 2.464(10) yes
    Bi1 Cl1 . 2.543(3) yes
    Bi1 Cl2 . 2.589(4) yes
    Bi1 Cl3 . 2.601(4) yes
    Bi1 Cl4 . 2.872(4) yes
    Bi1 Cl5 . 2.921(4) yes
    Bi2 Cl7 . 2.535(3) yes
    Bi2 Cl8 . 2.606(4) yes
    Bi2 Cl6 . 2.676(4) yes
    Bi2 Cl9 . 2.725(4) yes
    Bi2 Cl5 . 2.859(4) yes
    Bi2 Cl4 . 2.928(4) yes
    O1 C4 . 1.226(18) ?
    O2 C8 . 1.237(17) ?
    O3 C12 . 1.267(18) ?
    O4 H4C . 0.82(12) ?
    O4 H4D . 0.83(12) ?
    N1 C3 . 1.33(2) ?
    N1 C2 . 1.383(18) ?
    N1 H1 . 0.88 ?
    N2 C3 . 1.326(19) ?
    N2 C1 . 1.375(17) ?
    N2 H2 . 0.88 ?
    N3 C2 . 1.328(19) ?
    N3 H3A . 0.88 ?
    N3 H3B . 0.88 ?
    N4 C4 . 1.340(18) ?
    N4 H4A . 0.88 ?
    N4 H4B . 0.88 ?
    N5 C7 . 1.31(2) ?
    N5 C5 . 1.364(18) ?
    N5 H5 . 0.88 ?
    N6 C7 . 1.33(2) ?
    N6 C6 . 1.372(19) ?
    N6 H6 . 0.88 ?
    N7 C6 . 1.34(2) ?
    N7 H7A . 0.88 ?
    N7 H7B . 0.88 ?
    N8 C8 . 1.356(18) ?
    N8 H8A . 0.88 ?
    N8 H8B . 0.88 ?
    N9 C11 . 1.312(17) ?
    N9 C10 . 1.395(17) ?
    N9 H9 . 0.88 ?
    N10 C11 . 1.311(16) ?
    N10 C9 . 1.403(18) ?
    N10 H10 . 0.88 ?
    N11 C10 . 1.340(19) ?
    N11 H11A . 0.88 ?
    N11 H11B . 0.88 ?
    N12 C12 . 1.30(2) ?
    N12 H12A . 0.88 ?
    N12 H12B . 0.88 ?
    C1 C2 . 1.371(18) ?
    C1 C4 . 1.459(18) ?
    C3 H3 . 0.95 ?
    C5 C6 . 1.39(2) ?
    C5 C8 . 1.482(19) ?
    C7 H7 . 0.95 ?
    C9 C10 . 1.34(2) ?
    C9 C12 . 1.459(19) ?
    C11 H11 . 0.95 ?
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
    _geom_angle_publ_flag
    O1 Bi1 Cl1 . . 83.9(3) ?
    O1 Bi1 Cl2 . . 92.6(3) ?
    Cl1 Bi1 Cl2 . . 94.34(13) ?
    O1 Bi1 Cl3 . . 174.9(3) ?
    Cl1 Bi1 Cl3 . . 91.66(12) ?
    Cl2 Bi1 Cl3 . . 90.18(12) ?
    O1 Bi1 Cl4 . . 91.6(3) ?
    Cl1 Bi1 Cl4 . . 84.94(12) ?
    Cl2 Bi1 Cl4 . . 175.67(11) ?
    Cl3 Bi1 Cl4 . . 85.58(11) ?
    O1 Bi1 Cl5 . . 89.9(3) ?
    Cl1 Bi1 Cl5 . . 166.27(13) ?
    Cl2 Bi1 Cl5 . . 98.13(12) ?
    Cl3 Bi1 Cl5 . . 94.01(12) ?
    Cl4 Bi1 Cl5 . . 83.05(11) ?
    Cl7 Bi2 Cl8 . . 93.94(13) ?
    Cl7 Bi2 Cl6 . . 86.98(12) ?
    Cl8 Bi2 Cl6 . . 87.69(12) ?
    Cl7 Bi2 Cl9 . . 88.05(12) ?
    Cl8 Bi2 Cl9 . . 91.62(12) ?
    Cl6 Bi2 Cl9 . . 174.93(11) ?
    Cl7 Bi2 Cl5 . . 90.85(13) ?
    Cl8 Bi2 Cl5 . . 175.20(11) ?
    Cl6 Bi2 Cl5 . . 92.26(12) ?
    Cl9 Bi2 Cl5 . . 88.84(13) ?
    Cl7 Bi2 Cl4 . . 173.86(12) ?
    Cl8 Bi2 Cl4 . . 92.07(11) ?
    Cl6 Bi2 Cl4 . . 94.49(11) ?
    Cl9 Bi2 Cl4 . . 90.55(11) ?
    Cl5 Bi2 Cl4 . . 83.14(11) ?
    Bi1 Cl4 Bi2 . . 96.60(11) ?
    Bi2 Cl5 Bi1 . . 97.04(12) ?
    C4 O1 Bi1 . . 149.3(9) ?
    H4C O4 H4D . . 108(19) ?
    C3 N1 C2 . . 110.8(12) ?
    C3 N1 H1 . . 124.6 ?
    C2 N1 H1 . . 124.6 ?
    C3 N2 C1 . . 110.4(12) ?
    C3 N2 H2 . . 124.8 ?
    C1 N2 H2 . . 124.8 ?
    C2 N3 H3A . . 120.0 ?
    C2 N3 H3B . . 120.0 ?
    H3A N3 H3B . . 120.0 ?
    C4 N4 H4A . . 120.0 ?
    C4 N4 H4B . . 120.0 ?
    H4A N4 H4B . . 120.0 ?
    C7 N5 C5 . . 109.4(14) ?
    C7 N5 H5 . . 125.3 ?
    C5 N5 H5 . . 125.3 ?
    C7 N6 C6 . . 109.3(13) ?
    C7 N6 H6 . . 125.3 ?
    C6 N6 H6 . . 125.3 ?
    C6 N7 H7A . . 120.0 ?
    C6 N7 H7B . . 120.0 ?
    H7A N7 H7B . . 120.0 ?
    C8 N8 H8A . . 120.0 ?
    C8 N8 H8B . . 120.0 ?
    H8A N8 H8B . . 120.0 ?
    C11 N9 C10 . . 108.9(11) ?
    C11 N9 H9 . . 125.5 ?
    C10 N9 H9 . . 125.5 ?
    C11 N10 C9 . . 108.3(11) ?
    C11 N10 H10 . . 125.9 ?
    C9 N10 H10 . . 125.9 ?
    C10 N11 H11A . . 120.0 ?
    C10 N11 H11B . . 120.0 ?
    H11A N11 H11B . . 120.0 ?
    C12 N12 H12A . . 120.0 ?
    C12 N12 H12B . . 120.0 ?
    H12A N12 H12B . . 120.0 ?
    C2 C1 N2 . . 106.6(11) ?
    C2 C1 C4 . . 125.7(12) ?
    N2 C1 C4 . . 127.6(12) ?
    N3 C2 C1 . . 131.4(13) ?
    N3 C2 N1 . . 123.2(12) ?
    C1 C2 N1 . . 105.4(12) ?
    N2 C3 N1 . . 106.9(13) ?
    N2 C3 H3 . . 126.6 ?
    N1 C3 H3 . . 126.6 ?
    O1 C4 N4 . . 123.2(13) ?
    O1 C4 C1 . . 118.0(12) ?
    N4 C4 C1 . . 118.8(13) ?
    N5 C5 C6 . . 106.7(12) ?
    N5 C5 C8 . . 129.6(13) ?
    C6 C5 C8 . . 123.6(13) ?
    N7 C6 N6 . . 123.7(13) ?
    N7 C6 C5 . . 130.7(14) ?
    N6 C6 C5 . . 105.5(13) ?
    N5 C7 N6 . . 109.0(16) ?
    N5 C7 H7 . . 125.5 ?
    N6 C7 H7 . . 125.5 ?
    O2 C8 N8 . . 124.5(13) ?
    O2 C8 C5 . . 117.4(12) ?
    N8 C8 C5 . . 118.0(13) ?
    C10 C9 N10 . . 106.9(12) ?
    C10 C9 C12 . . 127.4(13) ?
    N10 C9 C12 . . 125.8(13) ?
    N11 C10 C9 . . 130.9(13) ?
    N11 C10 N9 . . 122.7(13) ?
    C9 C10 N9 . . 106.4(12) ?
    N10 C11 N9 . . 109.5(12) ?
    N10 C11 H11 . . 125.3 ?
    N9 C11 H11 . . 125.3 ?
    O3 C12 N12 . . 121.6(13) ?
    O3 C12 C9 . . 116.4(13) ?
    N12 C12 C9 . . 121.9(13) ?
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_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 Bi1 Cl4 Bi2 . . . . -92.7(3) ?
    Cl1 Bi1 Cl4 Bi2 . . . . -176.40(12) ?
    Cl3 Bi1 Cl4 Bi2 . . . . 91.54(12) ?
    Cl5 Bi1 Cl4 Bi2 . . . . -3.06(9) ?
    Cl8 Bi2 Cl4 Bi1 . . . . -176.47(11) ?
    Cl6 Bi2 Cl4 Bi1 . . . . -88.62(12) ?
    Cl9 Bi2 Cl4 Bi1 . . . . 91.89(12) ?
    Cl5 Bi2 Cl4 Bi1 . . . . 3.12(10) ?
    Cl7 Bi2 Cl5 Bi1 . . . . 178.20(12) ?
    Cl6 Bi2 Cl5 Bi1 . . . . 91.18(12) ?
    Cl9 Bi2 Cl5 Bi1 . . . . -93.77(12) ?
    Cl4 Bi2 Cl5 Bi1 . . . . -3.07(10) ?
    O1 Bi1 Cl5 Bi2 . . . . 94.8(3) ?
    Cl1 Bi1 Cl5 Bi2 . . . . 32.2(6) ?
    Cl2 Bi1 Cl5 Bi2 . . . . -172.67(11) ?
    Cl3 Bi1 Cl5 Bi2 . . . . -81.91(13) ?
    Cl4 Bi1 Cl5 Bi2 . . . . 3.13(10) ?
    Cl1 Bi1 O1 C4 . . . . -170(2) ?
    Cl2 Bi1 O1 C4 . . . . -75.7(19) ?
    Cl4 Bi1 O1 C4 . . . . 105.4(19) ?
    Cl5 Bi1 O1 C4 . . . . 22.4(19) ?
    C3 N2 C1 C2 . . . . 0.2(15) ?
    C3 N2 C1 C4 . . . . 179.9(13) ?
    N2 C1 C2 N3 . . . . -179.8(14) ?
    C4 C1 C2 N3 . . . . 1(2) ?
    N2 C1 C2 N1 . . . . -0.8(13) ?
    C4 C1 C2 N1 . . . . 179.5(12) ?
    C3 N1 C2 N3 . . . . -179.8(13) ?
    C3 N1 C2 C1 . . . . 1.2(15) ?
    C1 N2 C3 N1 . . . . 0.5(16) ?
    C2 N1 C3 N2 . . . . -1.0(17) ?
    Bi1 O1 C4 N4 . . . . -22(3) ?
    Bi1 O1 C4 C1 . . . . 160.0(14) ?
    C2 C1 C4 O1 . . . . 5(2) ?
    N2 C1 C4 O1 . . . . -174.4(13) ?
    C2 C1 C4 N4 . . . . -173.0(13) ?
    N2 C1 C4 N4 . . . . 7(2) ?
    C7 N5 C5 C6 . . . . -1.8(16) ?
    C7 N5 C5 C8 . . . . -178.5(13) ?
    C7 N6 C6 N7 . . . . 178.3(15) ?
    C7 N6 C6 C5 . . . . -1.2(15) ?
    N5 C5 C6 N7 . . . . -177.7(16) ?
    C8 C5 C6 N7 . . . . -1(2) ?
    N5 C5 C6 N6 . . . . 1.8(14) ?
    C8 C5 C6 N6 . . . . 178.7(11) ?
    C5 N5 C7 N6 . . . . 1.0(17) ?
    C6 N6 C7 N5 . . . . 0.2(17) ?
    N5 C5 C8 O2 . . . . 177.0(13) ?
    C6 C5 C8 O2 . . . . 0.9(19) ?
    N5 C5 C8 N8 . . . . -5(2) ?
    C6 C5 C8 N8 . . . . 178.5(12) ?
    C11 N10 C9 C10 . . . . 1.7(15) ?
    C11 N10 C9 C12 . . . . -178.5(12) ?
    N10 C9 C10 N11 . . . . 176.9(15) ?
    C12 C9 C10 N11 . . . . -3(2) ?
    N10 C9 C10 N9 . . . . -1.4(14) ?
    C12 C9 C10 N9 . . . . 178.8(12) ?
    C11 N9 C10 N11 . . . . -177.8(13) ?
    C11 N9 C10 C9 . . . . 0.7(14) ?
    C9 N10 C11 N9 . . . . -1.3(15) ?
    C10 N9 C11 N10 . . . . 0.4(15) ?
    C10 C9 C12 O3 . . . . -2(2) ?
    N10 C9 C12 O3 . . . . 178.1(13) ?
    C10 C9 C12 N12 . . . . 175.8(14) ?
    N10 C9 C12 N12 . . . . -4(2) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O4 H4C Cl8 1_455 0.82(12) 2.44(14) 3.215(11) 158(16)
    O4 H4D Cl1 . 0.83(12) 2.38(13) 3.190(12) 168(17)
    N1 H1 Cl6 1_456 0.88 2.36 3.226(12) 169
    N2 H2 Cl9 2_767 0.88 2.30 3.166(11) 170
    N3 H3A O1 . 0.88 2.33 2.869(17) 120
    N3 H3A Cl1 . 0.88 2.82 3.649(15) 157
    N3 H3B Cl8 2_757 0.88 2.71 3.451(14) 142
    N5 H5 O4 2_667 0.88 1.87 2.725(16) 163
    N6 H6 Cl3 2_766 0.88 2.40 3.230(12) 158
    N7 H7A Cl5 2_766 0.88 2.53 3.358(16) 156
    N7 H7B O2 . 0.88 2.24 2.802(18) 121
    N8 H8A O2 2_667 0.88 1.96 2.821(15) 166
    N8 H8B O4 2_667 0.88 2.04 2.905(18) 168
    N9 H9 Cl2 . 0.88 2.63 3.348(13) 140
    N10 H10 Cl4 2_756 0.88 2.37 3.249(12) 175
    N11 H11A O3 . 0.88 2.30 2.850(18) 120
    N11 H11A Cl5 2_766 0.88 2.83 3.426(14) 127
    N11 H11B Cl2 . 0.88 2.70 3.447(15) 143
    N12 H12A Cl9 1_554 0.88 2.45 3.315(13) 168
    N12 H12B Cl4 2_756 0.88 2.65 3.529(15) 177
data_global
_journal_date_recd_electronic     2008-03-26
_journal_date_accepted     2008-04-06
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue      5
_journal_page_first     m643
_journal_page_last     m644
_journal_paper_category     QM
_journal_coeditor_code     CI2573
_publ_contact_author_name     'Xian-Chao Hu'
_publ_contact_author_address
;
    Research Center of Analysis and Measurement
    Zhejiang University of Technology
    Hangzhou 310014
    People's Republic of China
;
_publ_contact_author_email     zgdhxc@126.com
_publ_contact_author_fax     '++86-571-88320961'
_publ_contact_author_phone     '++86-571-88320085'
_publ_section_title
;\
Bis(5-amino-4-aminocarbonyl-1H-imidazol-3-ium)(5-amino-4-aminocarbonyl-\
1H-imidazol-3-ium-κO)-di-μ-chlorido-heptachlorido-\
dibismuth(III) monohydrate
;
loop_
    _publ_author_name
    _publ_author_address
    'Lu-Ping Lv'
;
    Department of Chemical Engineering
    Hangzhou Vocational and Technical College
    Hangzhou 310018
    People's Republic of China
;
    'Lian-Jun He'
;
    Department of Chemical Engineering
    Hangzhou Vocational and Technical College
    Hangzhou 310018
    People's Republic of China
;
    'Wei-Wei Li'
;
    Department of Chemical Engineering
    Hangzhou Vocational and Technical College
    Hangzhou 310018
    People's Republic of China
;
    'Wen-Bo Yu'
;
    Department of Chemical Engineering
    Hangzhou Vocational and Technical College
    Hangzhou 310018
    People's Republic of China
;
    'Xian-Chao Hu'
;
    Research Center of Analysis and Measurement
    Zhejiang University of Technology
    Hangzhou 310014
    People's Republic of China
;
