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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2004990.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_2004990
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1355
_journal_page_last    	1357
_publ_section_title    	
;
Dioxo(\h^5^-pentamethylcyclopentadienyl)(trimethylsilylmethyl)tungsten(VI)
;
_chemical_formula_iupac    	'[W O2 (C10 H15) (C4 H11 Si)]'
_chemical_formula_moiety    	'C14 H26 O2 Si W'
_chemical_formula_sum    	'C14 H26 O2 Si W'
_chemical_formula_weight    	438.29
_symmetry_cell_setting    	orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'1/2+x,1/2-y,1/2-z'
'   -x,1/2+y,   -z'
'1/2-x,   -y,1/2+z'
'   -x,   -y,   -z'
'1/2-x,1/2+y,1/2+z'
'   +x,1/2-y,   +z'
'1/2+x,   +y,1/2-z'
_symmetry_space_group_name_H-M    	'P n m a'
_cell_length_a    	9.450(2)
_cell_length_b    	12.383(3)
_cell_length_c    	14.453(2)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	90
_cell_volume    	1691.4(4)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.721
_cell_measurement_temperature    	294.2
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
W(1) 0.14269(3) 0.2500 0.40718(2) 0.0443(1)
Si(1) 0.3193(3) 0.2500 0.6136(2) 0.0536(8)
O(1) 0.2441(4) 0.1375(4) 0.3866(3) 0.067(2)
C(1) -0.0123(8) 0.2500 0.2826(6) 0.047(3)
C(2) -0.0527(6) 0.1567(5) 0.3337(4) 0.043(2)
C(3) -0.1080(5) 0.1931(5) 0.4182(4) 0.043(2)
C(4) 0.0554(9) 0.2500 0.1882(6) 0.065(3)
C(5) -0.0377(7) 0.0429(6) 0.3020(5) 0.075(3)
C(6) -0.1714(6) 0.1225(7) 0.4926(5) 0.071(2)
C(7) 0.1427(9) 0.2500 0.5544(6) 0.047(2)
C(8) 0.290(1) 0.2500 0.7408(7) 0.084(4)
C(9) 0.4219(7) 0.1274(7) 0.5828(5) 0.082(3)
H(1) 0.1586 0.2500 0.1948 0.0781
H(2) 0.0244 0.1860 0.1537 0.0781
H(3) -0.0768 0.0357 0.2395 0.0896
H(4) 0.0626 0.0230 0.3014 0.0896
H(5) -0.0892 -0.0049 0.3443 0.0896
H(6) -0.1757 0.1628 0.5509 0.0854
H(7) -0.2672 0.1008 0.4743 0.0854
H(8) -0.1126 0.0580 0.5009 0.0854
H(9) 0.0916 0.1854 0.5748 0.0565
H(10) 0.3819 0.2500 0.7726 0.1006
H(11) 0.2384 0.1847 0.7586 0.1006
H(12) 0.3676 0.0629 0.5997 0.0988
H(13) 0.4404 0.1270 0.5161 0.0988
H(14) 0.5120 0.1276 0.6165 0.0988