#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2200125.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_2200125
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  m78
_journal_page_last  m79
_publ_section_title
;
4,4'-Bipyridylium di-\m-chlorotetrachlorodicuprate(II): a redetermination
;
loop_
_publ_author_name
  'N\"ather, Christian'
  'Je\&s, Inke'
  'Bolte, Michael'
_chemical_name_common
;
4,4'-Bipyridylium(di-\m-chloro-tetrachloro-di-copper)
;
_chemical_formula_moiety  'Cu2 Cl6 2-, C10 H10 N2 2+'
_chemical_formula_sum  'C10 H10 Cl6 Cu2 N2'
_chemical_formula_iupac  '(C10 H10 N2) [Cu2 Cl6]'
_chemical_formula_weight  497.98
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  3.9158(8)
_cell_length_b  10.021(2)
_cell_length_c  10.698(2)
_cell_angle_alpha  113.92(3)
_cell_angle_beta  95.16(3)
_cell_angle_gamma  96.06(3)
_cell_volume  377.51(13)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.190
_diffrn_ambient_temperature  293(2)
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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cu1  .33110(8)  .90348(3)  .08873(3)  .02544(10) Uani d . 1 . . Cu
  Cl1  .25990(16)  .89121(6)  -.13317(6)  .02760(14) Uani d . 1 . . Cl
  Cl2  -.10035(18)  .71109(7)  .02790(6)  .03439(16) Uani d . 1 . . Cl
  Cl3  .40337(16)  .94513(7)  .31191(6)  .02755(13) Uani d . 1 . . Cl
  N1  .8566(6)  .6889(2)  .3197(2)  .0296(5) Uani d . 1 . . N
  H1N  .9459  .7353  .2752  .036 Uiso calc R 1 . . H
  C1  .5769(6)  .5406(2)  .4613(2)  .0210(4) Uani d . 1 . . C
  C2  .7537(7)  .6839(3)  .5304(3)  .0307(5) Uani d . 1 . . C
  H2  .7767  .7311  .6263  .037 Uiso calc R 1 . . H
  C3  .8957(7)  .7566(3)  .4573(3)  .0317(6) Uani d . 1 . . C
  H3 1.0176  .8521  .5037  .038 Uiso calc R 1 . . H
  C4  .6850(8)  .5523(3)  .2483(3)  .0352(6) Uani d . 1 . . C
  H4  .6619  .5090  .1523  .042 Uiso calc R 1 . . H
  C5  .5414(8)  .4751(3)  .3175(3)  .0313(6) Uani d . 1 . . C
  H5  .4213  .3797  .2682  .038 Uiso calc R 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
  Cu1  .02994(17)  .02633(16)  .01819(15)  -.00603(11)  .00114(11)  .01042(12)
  Cl1  .0324(3)  .0278(3)  .0196(3)  -.0069(2)  -.0009(2)  .0107(2)
  Cl2  .0403(4)  .0325(3)  .0249(3)  -.0130(3)  .0015(2)  .0117(2)
  Cl3  .0310(3)  .0318(3)  .0196(3)  -.0013(2)  .0025(2)  .0123(2)
  N1  .0340(12)  .0306(11)  .0311(11)  .0032(9)  .0093(9)  .0193(9)
  C1  .0215(11)  .0215(10)  .0206(10)  .0024(8)  .0026(8)  .0097(9)
  C2  .0408(15)  .0237(11)  .0216(11)  -.0059(10)  .0010(10)  .0068(9)
  C3  .0359(14)  .0249(11)  .0316(13)  -.0036(10)  .0040(11)  .0114(10)
  C4  .0478(17)  .0338(13)  .0219(12)  -.0008(12)  .0080(11)  .0107(10)
  C5  .0429(15)  .0250(11)  .0227(12)  -.0026(11)  .0065(11)  .0080(10)
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
  Cu1 Cl3 . 2.2361(8) ?
  Cu1 Cl2 . 2.2566(11) ?
  Cu1 Cl1 . 2.3163(8) ?
  Cu1 Cl1 2_675 2.3234(11) ?
  Cl1 Cu1 2_675 2.3234(11) ?
  N1 C4 . 1.332(3) ?
  N1 C3 . 1.334(3) ?
  N1 H1N .  .860 ?
  C1 C2 . 1.388(3) ?
  C1 C5 . 1.393(3) ?
  C1 C1 2_666 1.498(4) ?
  C2 C3 . 1.381(3) ?
  C2 H2 .  .930 ?
  C3 H3 .  .930 ?
  C4 C5 . 1.381(4) ?
  C4 H4 .  .930 ?
  C5 H5 .  .930 ?
_cod_database_code 2200125