#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005500.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_2005500
_publ_section_title
;
1,1'-Diketone and 1,1'-Dinitrile Derivatives of  2,2'-Bi-imidazole
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              2636
_journal_page_last               2638
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C10 H8 N6'
_chemical_formula_sum            'C5 H4 N3'
_chemical_formula_weight         212.2
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.646(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.1044(9)
_cell_length_b                   5.2590(5)
_cell_length_c                   13.421(2)
_cell_measurement_temperature    288(2)
_cell_volume                     494.35(10)
_exptl_crystal_density_diffrn    1.426
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2005500
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
N1 1 0.6420(2) 0.2278(2) 0.58988(9) 0.0341(3)
N2 1 0.3271(2) 0.1772(3) 0.56128(9) 0.0402(4)
N3 1 0.9958(2) -0.2047(3) 0.66917(10) 0.0485(4)
C1 1 0.4899(2) 0.0988(3) 0.53674(10) 0.0327(4)
C2 1 0.5680(2) 0.3968(3) 0.65148(11) 0.0398(4)
H2B 1 0.6385(2) 0.5088(3) 0.70055(11) 0.080
C3 1 0.3769(2) 0.3631(3) 0.63289(11) 0.0426(4)
H3A 1 0.2902(2) 0.4624(3) 0.66461(11) 0.080
C4 1 0.8438(2) 0.2076(3) 0.58292(11) 0.0362(4)
H4A 1 0.9073(2) 0.3526(3) 0.61662(11) 0.080
H4B 1 0.8630(2) 0.2117(3) 0.51380(11) 0.080
C5 1 0.9292(2) -0.0253(3) 0.63137(10) 0.0358(4)