#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/5/5000136.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_5000136
_chemical_formula_sum            'C6 H Cl5 O'
_[local]_cod_chemical_formula_sum_orig 'C6 H1 Cl5 O1'
_symmetry_cell_setting monoclinic
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 -x,y,1/2-z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 -1/2-x,-1/2-y,-z
7 x,-y,-1/2+z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 29.11
_cell_length_b 4.93
_cell_length_c 12.09
_cell_angle_alpha 90
_cell_angle_beta 93.63
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
Cl 0.99
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl1 Cl 0.20067 -0.10680 0.04970
Cl2 Cl 0.09574 -0.15440 -0.01320
Cl3 Cl 0.02768 0.21830 0.09960
Cl4 Cl 0.06470 0.61680 0.28030
Cl5 Cl 0.16953 0.65830 0.34190
C1 C 0.17930 0.27700 0.19050
C2 C 0.16240 0.09600 0.11160
C3 C 0.11630 0.07400 0.08380
C4 C 0.08620 0.23400 0.13620
C5 C 0.10090 0.41600 0.21580
C6 C 0.14890 0.43700 0.24480
O1 O 0.22430 0.28800 0.21680