#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011552.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_2011552
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  e497
_journal_page_last  e498
_publ_section_title
;
trans-Tetrachlorobis(4-methylpyridine)germanium(IV)
;
loop_
_publ_author_name
  'Bolte, Michael'
  'Hensen, Karl'
  'Faber, Alexander'
_chemical_formula_sum  'C12 H14 Cl4 Ge N2'
_chemical_formula_iupac  '[Ge Cl4 (C6 H7 N)2]'
_chemical_formula_weight  400.64
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P m n a'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y, z+1/2'
  '-x+1/2, y, -z+1/2'
  'x, -y, -z'
  '-x, -y, -z'
  'x-1/2, y, -z-1/2'
  'x-1/2, -y, z-1/2'
  '-x, y, z'
_cell_length_a  7.154(2)
_cell_length_b  7.933(2)
_cell_length_c  13.731(3)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  779.3(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  1.707
_diffrn_ambient_temperature  173(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
  Cl1  .72510(7)  .16635(6)  .43468(3)  .02974(16) Uani d . 1 . . Cl
  Ge1  .5000  .0000  .5000  .01699(14) Uani d S 1 . . Ge
  N1  .5000  .1450(3)  .62414(15)  .0186(4) Uani d S 1 . . N
  C2  .5000  .3149(3)  .6175(2)  .0230(6) Uani d S 1 . . C
  H2  .5000  .3659  .5549  .028 Uiso calc SR 1 . . H
  C3  .5000  .4162(3)  .6989(2)  .0240(6) Uani d S 1 . . C
  H3  .5000  .5354  .6919  .029 Uiso calc SR 1 . . H
  C4  .5000  .3445(3)  .79128(19)  .0205(5) Uani d S 1 . . C
  C41  .5000  .4504(4)  .8814(2)  .0285(6) Uani d S 1 . . C
  H41A  .5000  .5623  .8628  .043 Uiso d SPR  .50 A 1 H
  H41B  .3975  .4180  .9215  .043 Uiso d PR  .50 A 1 H
  H41C  .5000  .3836  .9399  .043 Uiso d SPR  .50 A 2 H
  H41D  .3929  .5179  .8789  .043 Uiso d PR  .50 A 2 H
  C5  .5000  .1696(3)  .79704(19)  .0230(5) Uani d S 1 . . C
  H5  .5000  .1156  .8588  .028 Uiso calc SR 1 . . H
  C6  .5000  .0748(3)  .71332(19)  .0220(5) Uani d S 1 . . C
  H6  .5000  -.0446  .7186  .026 Uiso calc SR 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
  Cl1  .0322(3)  .0279(3)  .0291(3)  -.01187(19)  .0090(2)  -.00667(19)
  Ge1  .0192(2)  .01502(19)  .0167(2)  .000  .000  -.00263(14)
  N1  .0210(11)  .0165(9)  .0183(11)  .000  .000  -.0028(8)
  C2  .0272(14)  .0195(12)  .0224(14)  .000  .000  .0010(10)
  C3  .0272(14)  .0158(12)  .0288(14)  .000  .000  -.0032(10)
  C4  .0155(12)  .0234(12)  .0226(13)  .000  .000  -.0064(11)
  C41  .0313(15)  .0290(13)  .0251(15)  .000  .000  -.0112(11)
  C5  .0252(14)  .0258(13)  .0181(13)  .000  .000  -.0006(11)
  C6  .0261(13)  .0178(12)  .0221(13)  .000  .000  .0018(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
  Cl1 Ge1 . 2.2670(6) ?
  Ge1 N1 . 2.057(2) ?
  Ge1 N1 5_656 2.057(2) ?
  Ge1 Cl1 8_655 2.2670(6) ?
  Ge1 Cl1 5_656 2.2670(6) ?
  Ge1 Cl1 4_556 2.2670(6) ?
  N1 C6 . 1.345(3) ?
  N1 C2 . 1.350(3) ?
  C2 C3 . 1.377(4) ?
  C2 H2 .  .9500 ?
  C3 C4 . 1.390(4) ?
  C3 H3 .  .9500 ?
  C4 C5 . 1.390(4) ?
  C4 C41 . 1.495(4) ?
  C41 H41A .  .9240 ?
  C41 H41B .  .9530 ?
  C41 H41C .  .9620 ?
  C41 H41D .  .9355 ?
  C5 C6 . 1.373(4) ?
  C5 H5 .  .9500 ?
  C6 H6 .  .9500 ?