#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006355.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_2006355
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1997
_journal_volume 53
_journal_page_first  1066
_journal_page_last  1068
_publ_section_title
;
Tetravinylsilane
;
loop_
_publ_author_name
 'Bartkowska, Beata'
 'Kr\"uger, Carl'
_chemical_name_common  Tetravinylsilane
_chemical_formula_sum  'C8 H12 Si'
_chemical_formula_structural  'C8 H12 Si'
_chemical_formula_weight  136.27
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, -y, -z'
 'x-1/2, y, -z-1/2'
 'x, -y-1/2, z-1/2'
 '-x-1/2, y-1/2, z'
_cell_length_a  8.9952(13)
_cell_length_b  20.460(2)
_cell_length_c  9.864(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1815.3(5)
_cell_formula_units_Z  8
_cell_measurement_temperature  98
_exptl_crystal_density_diffrn   .997
_exptl_crystal_density_meas  none
_diffrn_ambient_temperature  298
_refine_ls_R_factor_obs   .0399
_refine_ls_wR_factor_obs   .1222
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
 C1  .0851(2)  .71623(6)  .38072(12)  .0334(3) Uani d . 1 . C
 C2  .1195(2)  .72815(7)  .25321(14)  .0423(4) Uani d . 1 . C
 C3  .18292(14)  .59506(6)  .53142(13)  .0321(3) Uani d . 1 . C
 C4  .3163(2)  .62131(9)  .54367(15)  .0418(4) Uani d . 1 . C
 C5  -.04221(15)  .58508(6)  .29817(13)  .0336(3) Uani d . 1 . C
 C6  .0251(2)  .53302(7)  .2494(2)  .0446(4) Uani d . 1 . C
 C7  -.13010(15)  .64391(7)  .56888(13)  .0327(3) Uani d . 1 . C
 C8  -.2542(2)  .60975(8)  .5686(2)  .0389(3) Uani d . 1 . C
 Si  .02355(4)  .63491(2)  .44370(3)  .0244(2) Uani d . 1 . Si
 H1  .099(2) .7509(9)  .4461(17)  .046(5) Uiso d . 1 . H
 H2A  .102(2) .6959(9)  .1842(18)  .048(4) Uiso d . 1 . H
 H2B  .161(2) .7685(9)  .2189(19)  .054(5) Uiso d . 1 . H
 H3  .167(2) .5545(10)  .5708(17)  .053(5) Uiso d . 1 . H
 H4A  .394(3) .6019(9)  .5872(18)  .059(5) Uiso d . 1 . H
 H4B  .341(2) .6640(9)  .506(2) .050(5) Uiso d . 1 . H
 H5  -.126(3) .6011(9)  .2566(19)  .067(6) Uiso d . 1 . H
 H6A  .1076(19)  .5170(8)  .2919(18)  .046(4) Uiso d . 1 . H
 H6B  -.015(3) .5066(12)  .168(2) .084(7) Uiso d . 1 . H
 H7  -.115(2) .6728(8)  .648(2) .066(6) Uiso d . 1 . H
 H8A  -.267(2) .5782(7)  .4993(19)  .047(4) Uiso d . 1 . H
 H8B  -.326(2) .6117(10)  .643(2) .061(5) Uiso d . 1 . 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
 C1  .0391(7)  .0263(6)  .0346(6)  -.0037(5)  -.0036(5)  .0009(5)
 C2  .0567(9)  .0331(7)  .0372(7)  -.0080(6)  -.0047(6)  .0081(6)
 C3  .0310(6)  .0351(7)  .0302(6)  .0031(5)  .0018(5)  .0065(5)
 C4  .0281(7)  .0567(9)  .0407(8)  .0046(6)  -.0041(5)  .0030(6)
 C5  .0348(7)  .0341(7)  .0319(6)  -.0069(5)  -.0017(5)  -.0012(5)
 C6  .0555(10)  .0346(7)  .0438(8)  -.0088(6)  .0059(6)  -.0077(6)
 C7  .0266(6)  .0383(7)  .0333(6)  .0022(5)  .0017(4)  -.0040(5)
 C8  .0284(7)  .0474(8)  .0409(7)  -.0024(6)  .0029(5)  -.0021(6)
 Si  .0226(3)  .0250(2)  .0255(2)  -.00112(10)  -.00075(10)  .00120(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
 C1 C2 . 1.318(2) y
 C1 Si . 1.8604(12) y
 C3 C4 . 1.320(2) y
 C3 Si . 1.8624(13) y
 C5 C6 . 1.316(2) y
 C5 Si . 1.8574(13) y
 C7 C8 . 1.317(2) y
 C7 Si . 1.8624(13) y