#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202247.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_2202247
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  m11
_journal_page_last  m13
_publ_section_title
;
Tetramethyllead(IV) at 150 K
;
loop_
_publ_author_name
  'Holger Fleischer'
  'Simon Parsons'
  'Colin R. Pulham'
_chemical_formula_moiety  'C4 H12 Pb1'
_chemical_formula_sum  'C4 H12 Pb1'
_chemical_formula_iupac  '[Pb (C1 H3)4]'
_chemical_formula_weight  267.34
_chemical_melting_point  243
_symmetry_cell_setting  Cubic
_symmetry_space_group_name_H-M  'P a -3'
_symmetry_space_group_name_Hall  ' -P 2ac 2ab 3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  'y,z,x'
  '-y,-z,-x'
  'z,x,y'
  '-z,-x,-y'
  'x+1/2,y,-z+1/2'
  '-x+1/2,-y,z+1/2'
  'y+1/2,z,-x+1/2'
  '-y+1/2,-z,x+1/2'
  'z+1/2,x,-y+1/2'
  '-z+1/2,-x,y+1/2'
  'y+1/2,-z+1/2,-x'
  '-y+1/2,z+1/2,x'
  'z+1/2,-x+1/2,-y'
  '-z+1/2,x+1/2,y'
  '-z,x+1/2,-y+1/2'
  'z,-x+1/2,y+1/2'
  '-x,y+1/2,-z+1/2'
  'x,-y+1/2,z+1/2'
  '-y,z+1/2,-x+1/2'
  'y,-z+1/2,x+1/2'
  'x+1/2,-y+1/2,-z'
  '-x+1/2,y+1/2,z'
_cell_length_a  11.1725(6)
_cell_length_b  11.1725(6)
_cell_length_c  11.1725(6)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1394.60(13)
_cell_formula_units_Z  8
_cell_measurement_temperature  150
_exptl_crystal_density_diffrn  2.546
_diffrn_ambient_temperature  150
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_occupancy
_atom_site_type_symbol
  Pb1 0.872030(14) 0.372030(14) 0.127970(14) 0.0145 Uani 1.0000 Pb
  C1 0.7586(8) 0.2586(8) 0.2414(8) 0.0258 Uani 1.0000 C
  C2 0.9865(8) 0.2561(6) 0.0148(5) 0.0224 Uani 1.0000 C
  H11 0.7071 0.3109 0.2921 0.0315 Uiso 1.0000 H
  H21 1.0390 0.3065 -0.0370 0.0254 Uiso 1.0000 H
  H22 1.0382 0.2043 0.0675 0.0254 Uiso 1.0000 H
  H23 0.9353 0.2035 -0.0363 0.0254 Uiso 1.0000 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
  Pb1 0.0145(3) 0.0145(3) 0.0145(3) -0.00001(6) 0.00001(6) 0.00001(6)
  C1 0.026(2) 0.026(2) 0.026(2) -0.002(3) 0.002(3) 0.002(3)
  C2 0.027(3) 0.018(3) 0.021(2) 0.003(2) 0.005(3) -0.007(2)
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
  Pb1 C1 . . 2.194(15) yes
  Pb1 C2 . . 2.216(7) yes
  C2 H21 . . 0.998 no
  C2 H22 . . 1.008 no
  C2 H23 . . 0.999 no
  C1 H11 . . 0.997 no