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#$Date: 2016-12-12 01:03:57 +0200 (Mon, 12 Dec 2016) $
#$Revision: 189055 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/43/4344359.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_4344359
loop_
_publ_author_name
'Vogt, L. H.'
'Wiberley, S. E.'
'Katz, J. L.'
_publ_section_title
;
 The Crystal and Molecular Structure of Ruthenium-Sulfur Dioxide
 Coordination Compounds. I. Chlorotetraammine(sulfur dioxide)ruthenium(II)
 Chloride
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1157
_journal_page_last               1163
_journal_volume                  4
_journal_year                    1965
_chemical_formula_sum            'Cl2 H12 N4 O2 Ru S'
_chemical_name_systematic        '(Ru (N H3)4 (S O2) Cl) Cl'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.962
_cell_length_b                   9.308
_cell_length_c                   7.312
_cell_volume                     950.255
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Vogt_INOCAJ_1965_1064.cif
_cod_data_source_block           H12Cl2N4O2Ru1S1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'H12 Cl2 N4 O2 Ru1 S1'
_cod_database_code               4344359
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-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
_atom_site_attached_hydrogens
N1 N-3 -0.0126 0.2899 0.4529 1 0.0 3
Cl2 Cl-1 0.1503 0.4324 -0.25 1 0.0 0
O2 O-2 0.1299 0.5469 0.25 1 0.0 0
O1 O-2 0.2699 0.3986 0.25 1 0.0 0
Cl1 Cl-1 0.0028 -0.0087 0.25 1 0.0 0
Ru1 Ru+2 0.0857 0.2189 0.25 1 0.0 0
N2 N-3 0.1748 0.13 0.4568 1 0.0 3
S1 S+4 0.1653 0.4068 0.25 1 0.0 0
