#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2010582.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_2010582
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  121
_journal_page_last  122
_publ_section_title
;
Chlorotrimethylsilane
;
loop_
_publ_author_name
  'Buschmann, J\"urgen'
  'Lentz, Dieter'
  'Luger, Peter'
  'R\"ottger, Matthias'
_chemical_formula_sum  'C3 H9 Cl Si'
_chemical_formula_weight  108.64
_chemical_melting_point  176
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
  '-x, -y, -z'
  'x, -y-1/2, z'
_cell_length_a  6.2920(10)
_cell_length_b  7.7350(10)
_cell_length_c  6.745(3)
_cell_angle_alpha  90.00
_cell_angle_beta  90.800(10)
_cell_angle_gamma  90.00
_cell_volume  328.24(16)
_cell_formula_units_Z  2
_cell_measurement_temperature  157
_exptl_crystal_density_diffrn  1.099
_diffrn_ambient_temperature  157.0(10)
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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Si  .68153(11)  .2500  .31380(10)  .0333(2) Uani d S 1 . . Si
  C1  .7633(4)  .0518(4)  .1838(4)  .0543(6) Uani d . 1 . . C
  C2  .7706(6)  .2500  .5756(5)  .0474(7) Uani d S 1 . . C
  Cl  .34994(10)  .2500  .31351(12)  .0467(2) Uani d S 1 . . Cl
  H11  .707(5)  .054(5)  .053(5)  .089(10) Uiso d . 1 . . H
  H12  .716(5)  -.048(5)  .235(4)  .071(9) Uiso d . 1 . . H
  H13  .912(5)  .050(4)  .186(4)  .069(8) Uiso d . 1 . . H
  H21  .927(8)  .2500  .600(7)  .085(14) Uiso d S 1 . . H
  H22  .715(4)  .149(4)  .645(4)  .067(8) 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
  Si  .0258(4)  .0405(4)  .0336(4)  .000  .0002(2)  .000
  C1  .0427(12)  .0639(17)  .0562(14)  .0087(12)  .0013(10)  -.0182(13)
  C2  .0494(18)  .0523(19)  .0404(15)  .000  -.0085(12)  .000
  Cl  .0268(3)  .0491(5)  .0642(5)  .000  .0027(3)  .000
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 H11 .  .95(4) no
  C1 H12 .  .90(4) no
  C1 H13 .  .93(3) no
  C2 H21 . 1.00(5) no
  C2 H22 .  .98(3) no
  Si C1 . 1.843(3) y
  Si C1 4_565 1.843(3) y
  Si C2 . 1.845(3) y
  Si Cl . 2.0863(9) y