#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/00/2020047.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020047
loop_
_publ_author_name
'Loevqvist, K.'
_publ_section_title
;
 cis-Dibromobis(dimethyl sulfoxide-S)platinum(II) and trans-bis(dimethyl
 sulfoxide-S)diiodoplatinum(II)
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1921
_journal_page_last               1924
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C4 H12 Br2 O2 Pt S2'
_chemical_name_systematic        '(Pt Br2 (C2 H6 O S)2)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xn'
_symmetry_space_group_name_H-M   'P 21/n 1 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.959
_cell_length_b                   13.677
_cell_length_c                   9.777
_cell_volume                     1197.998
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Loevqvist_ACSCEE_1996_418.cif
_cod_data_source_block           C4H12Br2O2Pt1S2
_cod_original_sg_symbol_Hall     '-P 2ybc (y,z,x-z)'
_cod_original_formula_sum        'C4 H12 Br2 O2 Pt1 S2'
_cod_database_code               2020047
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z+1/2
-x,-y,-z
-x-1/2,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_occupancy
_atom_site_U_iso_or_equiv
S1 S+4 0.7432 0.0232 0.3185 1 0.0
C2 C-4 0.833 0.113 0.238 1 0.0
C1 C-4 0.849 -0.0831 0.294 1 0.0
Br2 Br-1 0.4888 -0.15115 0.1258 1 0.0
S2 S+4 0.4541 0.1672 0.2912 1 0.0
C4 C-4 0.379 0.1595 0.439 1 0.0
Br1 Br-1 0.1928 -0.00149 0.1317 1 0.0
O1 O-2 0.7907 0.04 0.4744 1 0.0
O2 O-2 0.5947 0.228 0.3359 1 0.0
C3 C-4 0.304 0.2352 0.161 1 0.0
Pt1 Pt+2 0.47936 0.01502 0.21528 1 0.0
