#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005472.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_2005472
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	2588
_journal_page_last    	2590
_publ_section_title    	
;
2,2'-Bi(1H-imidazolium) Dichloride
;
_chemical_formula_iupac    	'C6 H8 N4 2+ , 2Cl -'
_chemical_formula_moiety    	'C6 H8 Cl2 N4'
_chemical_formula_sum    	'C6 H8 Cl2 N4'
_chemical_formula_analytical    	'C6 H6 N4 (2HCl)'
_chemical_formula_weight    	207.06
_symmetry_cell_setting    	Monoclinic
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z'
    '-x, -y, -z'
    'x, -y, z'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z'
_symmetry_space_group_name_H-M    	'C  2/m'
_cell_length_a    	9.500(2)
_cell_length_b    	10.031(3)
_cell_length_c    	4.910(2)
_cell_angle_alpha    	90.00
_cell_angle_beta    	97.40(2)
_cell_angle_gamma    	90.00
_cell_volume    	464.0(3)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.482
_cell_measurement_temperature    	293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    Cl 1 0.23662(7) 0 0.50616(13) 0.0467(4)
    N1 1 0.4255(2) -0.1499(2) 0.1468(3) 0.0397(5)
    H1 1 0.373(3) -0.124(2) 0.253(5) 0.045(6)
    C2 1 0.5000 -0.0719(2) 0 0.0339(6)
    C3 1 0.4536(3) -0.2799(2) 0.0916(5) 0.0508(6)
    H3 1 0.415(3) -0.351(4) 0.182(5) 0.068(9)