#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008205.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_2008205
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  343
_journal_page_last  345
_publ_section_title
;
Poly[mercury(II)-\m-4,4'-bipyridine-di-\m-bromo]
;
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_[local]_cod_cif_authors_sg_H-M  'C m m m'
_[local]_cod_cif_authors_sg_Hall '-C 2 2'
loop_
_publ_author_name
  'Pan, Long'
  'Zheng, Nengwu'
  'Wu, Yonggang'
  'Yu, Shichun'
  'Huang, Xiaoying'
_chemical_formula_moiety  'C10 H8 Br2 Hg1 N2 '
_chemical_formula_sum            'C10 H8 Br2 Hg N2'
_[local]_cod_chemical_formula_sum_orig 'C10 H8 Br2 Hg1 N2 '
_chemical_formula_iupac  '[Hg Br2 (C10 H8 N2)]'
_chemical_formula_weight  516.58
_symmetry_cell_setting  orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  'x,y,-z'
  '-x,-y,+z'
  'x,-y,z'
  '-x,+y,-z'
  '-x,y,z'
  '+x,-y,-z'
_cell_length_a  11.688(2)
_cell_length_b  12.561(4)
_cell_length_c  3.9450(10)
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  90.0
_cell_volume  579.1(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  2.962
loop_
_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_type_symbol
  Hg 0 0 0 0.0233(4) Uani Hg
  Br 0 .16237(9) .5 0.0260(6) Uani Br
  N .2010(9) 0 0 0.027(5) Uani N
  C1 .2578(9) .0876(7) 0 0.054(6) Uani C
  C2 .3746(9) .0908(7) 0 0.060(7) Uani C
  C3 .4360(9) 0 0 0.023(5) Uani C
  H1 .2162 .1533 0 0.061 Uiso H
  H2 .4126 .1597 0 0.069 Uiso 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
_atom_site_aniso_type_symbol
  Hg .0264(5) .0323(5) .0300(6) 0 .0000 0.00 Hg
  Br .0442(7) .0255(7) .0292(8) 0 .0000 0.00 Br
  N .038(5) .034(5) .0300(6) 0 .0000 0.00 N
  C1 .035(5) .023(5) .147(15) .001(4) .0000 0.00 C
  C2 .032(5) .031(5) .163(17) -.002(4) .0000 0.00 C
  C3 .023(6) .037(5) .028(7) 0 .0000 0.00 C
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Hg N . . 2.350(10)
  yes
  Hg N . 7 2.350(10)
  no
  Hg Br . . 2.8370(10)
  yes
  Hg Br . 3 2.8370(10)
  no
  Hg Br . 7 2.8370(10)
  no
  Hg Br . 8 2.8370(10)
  no
  N C1 . . 1.280(10)
  no
  N C1 . 5 1.290(10)
  no
  C1 C2 . . 1.37(2) no
  C2 C3 . . 1.350(10)
  no
  C3 C3 . 7_655 1.50(2) no
  C1 H1 . . 0.96 no
  C2 H2 . . 0.97 no
_cod_database_code 2008205