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#$Date: 2016-02-09 19:42:54 +0100 (mar 09 de feb de 2016) $
#$Revision: 176292 $
#$URL: svn://www.crystallography.net/cod/cif/6/00/01/6000197.cif $
#------------------------------------------------------------------------------
#
# 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_6000197
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 a -3'
_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                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.78760(10)
_cell_length_b                   12.78760(10)
_cell_length_c                   12.78760(10)
_cell_measurement_temperature    260
_cell_volume                     2091.06(3)
_diffrn_ambient_temperature      260
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     .82488(2)
_exptl_crystal_density_diffrn    .968
_cod_data_source_file            se0261.cif
_cod_data_source_block           TC260
_cod_original_cell_volume        2091.00(10)
_cod_database_code               6000197
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
C(0) .0 .0 .0 .265(19) 1.0
Si(1) .0847(3) .0847(3) .0847(3) .317(8) .5
Si(2) .0352(10) -.1415(6) -.0073(17) .317(8) .5
C(11) .2172(7) .0166(13) .1032(14) .174(3) .75
C(21) .113(2) -.1878(15) .1119(18) 174(3) .75
C(22) -.0370(13) -.2667(7) -.0511(11) 174(3) .75
C(23) .1467(17) -.1474(14) -.107(2) 174(3) .75
