#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/22/2202247.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
loop_
_publ_author_name
'Holger Fleischer'
'Simon Parsons'
'Colin R. Pulham'
_publ_section_title
;
Tetramethyllead(IV) at 150 K
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m11
_journal_page_last               m13
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Pb (C1 H3)4]'
_chemical_formula_moiety         'C4 H12 Pb1'
_chemical_formula_sum            'C4 H12 Pb'
_chemical_formula_weight         267.34
_chemical_melting_point          243
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  ' -P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.1725(6)
_cell_length_b                   11.1725(6)
_cell_length_c                   11.1725(6)
_cell_measurement_temperature    150
_cell_volume                     1394.60(13)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    2.546
_[local]_cod_chemical_formula_sum_orig 'C4 H12 Pb1'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2202247
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
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