#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/37/4343761.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_4343761
loop_
_publ_author_name
'Cotton, F.A.'
'Hall, W.T.'
_publ_section_title
;
 Cesium octachlorodirhenate(III) hydrate. The correct structure and its
 significance with respect to the nature of metal-metal multiple bonding
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1867
_journal_page_last               1871
_journal_volume                  16
_journal_year                    1977
_chemical_formula_sum            'Cl8 Cs2 H2 O Re2'
_chemical_name_systematic        'Cs2 Re2 Cl8 (H2 O)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.13
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.323
_cell_length_b                   13.377
_cell_length_c                   11.979
_cell_volume                     1487.962
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Cotton_INOCAJ_1977_627.cif
_cod_data_source_block           H2Cl8Cs2O1Re2
_cod_original_formula_sum        'H2 Cl8 Cs2 O1 Re2'
_cod_database_code               4343761
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_occupancy
_atom_site_U_iso_or_equiv
Cl5 Cl-1 0.4982 0.2012 0.566 1 0.0
Cl1 Cl-1 0.2775 -0.0799 0.0192 1 0.0
Cs2 Cs+1 0.1175 -0.3131 -0.0456 1 0.0
Cl7 Cl-1 0.0166 -0.1522 0.1619 1 0.0
Re2 Re+3 0.4356 0.06192 0.45604 1 0.0
Cl2 Cl-1 -0.0577 0.0757 0.211 1 0.0
Cl8 Cl-1 0.5887 0.1235 0.3295 1 0.0
Cl4 Cl-1 0.3159 -0.0246 0.3056 1 0.0
Cl3 Cl-1 0.2203 0.0564 0.5429 1 0.0
O1 O-2 0.272 0.194 0.338 1 0.0
Cl6 Cl-1 0.1978 0.1484 0.0706 1 0.0
Re1 Re+3 0.0736 -0.00119 0.07901 1 0.0
Cs1 Cs+1 0.3809 0.3961 0.324 1 0.0
