#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/02/8100235.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_8100235
loop_
_publ_author_name
'Jäschke, Britta'
'Jansen, Martin'
_publ_section_title
;
Crystal structure of 1,2-bis(trifluoromethanesulfonyloxy)disilane, 
[F₃CSO₃SiH₂]₂
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              355
_journal_page_last               356
_journal_volume                  219
_journal_year                    2004
_chemical_formula_structural     '[F~3~CSO~3~SiH~2~]~2'
_chemical_formula_sum            'C2 H4 F6 O6 S2 Si2'
_chemical_formula_weight         358.35
_chemical_melting_point          293
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 110.751(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.020(1)
_cell_length_b                   6.694(1)
_cell_length_c                   10.615(1)
_cell_measurement_temperature    100(2)
_cell_volume                     599.4(1)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.986
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100235
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
S S 0.79307(4) 0.13526(5) 0.94911(3) 0.01963(13) Uani 1 4 e d . . .
Si Si 0.99875(5) 0.45801(6) 1.10746(4) 0.01887(13) Uani 1 4 e d . . .
O1 O 0.89472(12) 0.23050(15) 1.08155(10) 0.0216(2) Uani 1 4 e d . . .
F1 F 0.60998(13) 0.44106(14) 0.92398(12) 0.0369(3) Uani 1 4 e d . . .
O2 O 0.78287(14) -0.07397(16) 0.96423(12) 0.0285(3) Uani 1 4 e d . . .
F2 F 0.56083(12) 0.19745(15) 1.03624(11) 0.0338(2) Uani 1 4 e d . . .
O3 O 0.83357(14) 0.21466(16) 0.84002(10) 0.0260(2) Uani 1 4 e d . . .
F3 F 0.49069(13) 0.17582(18) 0.82009(12) 0.0442(3) Uani 1 4 e d . . .
C C 0.60007(19) 0.2431(2) 0.93113(16) 0.0269(3) Uani 1 4 e d . . .
H1 H 1.135(2) 0.397(3) 1.1995(19) 0.029(5) Uiso 1 4 e d . . .
H2 H 0.910(2) 0.576(3) 1.148(2) 0.029(5) Uiso 1 4 e d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
S O2 1.4164(12) . ?
S O3 1.4341(11) . ?
S O1 1.5199(10) . ?
S C 1.8310(16) . ?
Si O1 1.7586(11) . ?
Si Si 2.3574(7) 3_767 ?
Si H1 1.338(19) . ?
Si H2 1.304(19) . ?
F1 C 1.3323(19) . ?
F2 C 1.3202(19) . ?
F3 C 1.3196(19) . ?
