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#$Date: 2016-11-16 17:19:28 +0200 (Wed, 16 Nov 2016) $
#$Revision: 188515 $
#$URL: file:///home/coder/svn-repositories/cod/cif/6/00/01/6000196.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_6000196
loop_
_publ_author_name
'Dinnebier, Robert E.'
'Dollase, Wayne A.'
'Helluy, Xavier'
'Kümmerlen, Jörg'
'Sebald, Angelika'
'Schmidt, Martin U.'
'Pagola, Silvina'
'Stephens, Peter W.'
'van Smaalen, Sander'
_publ_section_title
;
 Order--disorder phenomena determined by high-resolution powder
 diffraction: the structures of tetrakis(trimethylsilyl)methane
 C[Si(CH₃)₃]₄ and tetrakis(trimethylsilyl)silane
 Si[Si(CH₃)₃]₄
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              1014
_journal_page_last               1029
_journal_paper_doi               10.1107/S0108768199006126
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          C(Si(CH3)3)4
_chemical_formula_sum            'C13 H36 Si4'
_chemical_formula_weight         304.79
_space_group_name_H-M_alt        'P 21 3'
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.609(3)
_cell_length_b                   12.609(3)
_cell_length_c                   12.609(3)
_cell_measurement_temperature    150
_cell_volume                     2004.7(8)
_diffrn_ambient_temperature      150
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .82488(2)
_exptl_crystal_density_diffrn    1.01
_cod_data_source_file            se0261.cif
_cod_data_source_block           TC150
_cod_original_cell_volume        2005.0(10)
_cod_database_code               6000196
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_attached_hydrogens
C(0) .0 .0 .0 .252(19) 1.0 0
Si(1) .0881(2) .0881(2) .0881(2) .0252(9) 1.0 0
Si(2) .0548(2) -.1425(2) -.0005(3) .0252(9) 1.0 0
C(11) .2380(3) .0500(7) .0666(7) .0252(9) 1.5 3
C(21) .0966(5) -.1785(3) .1495(4) .0252(9) 1.5 3
C(22) -.0417(5) -.2425(2) -.0548(5) .0252(9) 1.5 3
C(23) .1905(4) -.1418(4) -.0846(5) .0252(9) 1.5 3
