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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/39/4123987.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_4123987
loop_
_publ_author_name
'Stanko, J.A.'
'Chaipayungpundhu, S.'
_publ_section_title
;
 Crystal structure of cesium trans-tetrachloroaquocarbonylruthenate(II)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5580
_journal_page_last               5585
_journal_volume                  92
_journal_year                    1970
_chemical_formula_sum            'C H2 Cl4 Cs2 O2 Ru'
_chemical_name_systematic        'Cs2 Ru Cl4 H2 O C O'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-A 2 2a'
_symmetry_space_group_name_H-M   'A m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.096
_cell_length_b                   17.19
_cell_length_c                   7.437
_cell_volume                     1035.009
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Stanko_JACSAT_1970_1362.cif
_cod_data_source_block           C1H2Cl4Cs2O2Ru1
_cod_original_sg_symbol_Hall     '-C 2c 2 (z,y,-x)'
_cod_original_formula_sum        'C1 H2 Cl4 Cs2 O2 Ru1'
_cod_database_code               4123987
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
-x,-y,z
-x+1/2,y,-z
-x,-y,-z
-x-1/2,y,z
x,y,-z
x-1/2,-y,z
x,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
-x-1/2,y+1/2,z+1/2
x,y+1/2,-z+1/2
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
Cs2 Cs+1 0.25 0.7551 0 1 0.0
O2 O-2 0.25 -0.0087 0 1 0.0
Ru1 Ru+2 0.25 0.1219 0 1 0.0
Cl1 Cl-1 0.4616 0.1162 0.2246 1 0.0
Cs1 Cs+1 0.25 0.4781 0 1 0.0
O1 O-2 0.25 0.2902 0 1 0.0
C1 C+2 0.25 0.2268 0 1 0.0
