#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/71/2007184.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_2007184
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1998
_journal_volume 54
_journal_page_first  448
_journal_page_last  449
_publ_section_title
;
Bis(2-chloro-1H-imidazol-3-ium) Hexachloroplatinate(IV),
(C~3~H~4~ClN~2~)~2~[PtCl~6~]
;
loop_
_publ_author_name
  'Giovanni Valle'
  'Renato Ettorre'
_chemical_formula_sum  'C6 H8 Cl8 N4 Pt'
_chemical_formula_iupac  '(C3 H4 Cl1 N2)2 [Pt Cl6]'
_chemical_formula_weight  614.85
_symmetry_cell_setting  'orthorhombic'
_symmetry_space_group_name_H-M  'P n n m'
_symmetry_space_group_name_Hall  '-P 2 2n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z'
  'x+1/2, -y+1/2, z+1/2'
  '-x+1/2, y+1/2, z+1/2'
  '-x, -y, -z'
  'x, y, -z'
  '-x-1/2, y-1/2, -z-1/2'
  'x-1/2, -y-1/2, -z-1/2'
_cell_length_a  7.5960(10)
_cell_length_b  15.530(2)
_cell_length_c  6.9660(10)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  821.8(2)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.485
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  .041
_refine_ls_wR_factor_obs  .101
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Pt 0 0  .5  .0260(2) Uani d S 1 . Pt
  Cl11  -.2011(2)  .03781(8)  .2642(2)  .0410(3) Uani d . 1 . Cl
  Cl12  -.1139(2)  -.13918(11)  .5000  .0385(4) Uani d S 1 . Cl
  Cl2  .0512(4)  -.3695(2)  .5000  .0610(7) Uani d S 1 . Cl
  N1  .3991(9)  -.3520(4)  .5000  .046(2) Uani d S 1 . N
  C5  .5245(11)  -.2872(8)  .5000  .047(2) Uani d S 1 . C
  C2  .2438(10)  -.3162(5)  .5000  .037(2) Uani d S 1 . C
  N3  .2619(10)  -.2335(5)  .5000  .057(2) Uani d S 1 . N
  C4  .4368(13)  -.2125(6)  .5000  .046(2) Uani d S 1 . C
  H1  .4215  -.4056  .5000  .06(3)  Uiso d S 1 . H
  H5  .6454  -.2943  .5000  .05(3)  Uiso d S 1 . H
  H3  .1776  -.1969  .5000  .06(3)  Uiso d S 1 . H
  H4  .4826  -.1575  .5000  .08(5)  Uiso d S 1 . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Pt  .0205(3)  .0213(2)  .0362(3)  .00046(11)  .000  .000
  Cl11  .0367(6)  .0382(7)  .0480(7)  .0025(5)  -.0135(6)  .0032(6)
  Cl12  .0308(8)  .0263(8)  .0584(11)  -.0039(7)  .000  .000
  Cl2  .0358(10)  .0494(13)  .098(2)  -.0050(11)  .000  .000
  N1  .042(4)  .029(3)  .066(5)  .005(3)  .000  .000
  C5  .040(4)  .037(5)  .063(7)  .006(4)  .000  .000
  C2  .039(4)  .035(4)  .038(4)  .004(3)  .000  .000
  N3  .037(4)  .035(3)  .099(6)  .009(3)  .000  .000
  C4  .044(5)  .036(5)  .059(6)  .001(4)  .000  .000
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
  Pt Cl11 . 2.3190(10)
  yes
  Pt Cl11 2 2.3190(10)
  ?
  Pt Cl11 5_556 2.3190(10)
  ?
  Pt Cl11 6_556 2.3190(10)
  ?
  Pt Cl12 . 2.328(2) yes
  Pt Cl12 5_556 2.328(2) ?
  Cl2 C2 . 1.681(8) yes
  N1 C2 . 1.305(10) yes
  N1 C5 . 1.385(13) yes
  C5 C4 . 1.338(14) yes
  C2 N3 . 1.292(10) yes
  N3 C4 . 1.368(12) yes
_cod_database_code 2007184