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#$Date: 2016-03-03 02:51:06 +0100 (jue 03 de mar de 2016) $
#$Revision: 177140 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/02/1100278.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_1100278
loop_
_publ_author_name
'Antel, Jochen'
'Harms, Klaus'
'Jones, Peter G.'
'Mews, Rüdiger'
'Sheldrick, George M.'
'Waterfeld, Alfred'
_publ_section_title
;
 Kristallstruktur von 2,4,4-Trifluor-1,3-dithietan-2-ylium-hexafluoroarsenat
;
_journal_coden_ASTM              CHBEAM
_journal_issue                   12
_journal_name_full               'Chemische Berichte'
_journal_page_first              5006
_journal_page_last               5008
_journal_paper_doi               10.1002/cber.19851181231
_journal_volume                  118
_journal_year                    1985
_chemical_formula_sum            'C2 As F9 S2'
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.649(1)
_cell_length_b                   8.317(1)
_cell_length_c                   6.903(1)
_cod_original_sg_symbol_H-M      'P m m n'
_cod_original_formula_sum        'C2 As1 F9 S2'
_cod_database_code               1100278
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,y,z
3 x,1/2-y,z
4 1/2-x,1/2-y,z
5 -x,-y,-z
6 -1/2+x,-y,-z
7 -x,-1/2+y,-z
8 -1/2+x,-1/2+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1 As 0.75000 0.25000 0.6564(1)
S1 S 0.4281(3) 0.25000 0.1513(2)
C1 C 0.25000 0.25000 0.2940(15)
C2 C 0.25000 0.25000 -0.0297(13)
S1A S 0.0719(3) 0.25000 0.1513(2)
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
As 1.21
F 0.64
S 1.02
