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#$Date: 2022-11-09 12:31:02 +0200 (Wed, 09 Nov 2022) $
#$Revision: 279151 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/59/1535975.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_1535975
loop_
_publ_author_name
'Nevskii, N.N.'
'Sinitsyn, N.M.'
'Svetlov, A.A.'
_publ_section_title
;
 Investigation of tetrahalogenoaquacomplexes of ruthenium nitrosyl
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1159
_journal_page_last               1166
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Br5 Cs2 H4 N O3 Ru'
_chemical_name_systematic        'Cs2 (Ru (N O) Br4 (H2 O)) Br (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                 103.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.748
_cell_length_b                   6.973
_cell_length_c                   16.204
_cell_volume                     1288.541
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Nevskii_ZNOKAQ_1990_1011.cif
_cod_data_source_block           H4Br5Cs2N1O3Ru1
_cod_original_formula_sum        'H4 Br5 Cs2 N1 O3 Ru1'
_cod_database_code               1535975
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
_atom_site_attached_hydrogens
Ru1 Ru+3 0.2037 0.1644 0.3998 1 0.0 0
Cs1 Cs+1 0.4475 0.4704 0.1606 1 0.0 0
Cs2 Cs+1 0.8435 0.3348 0.4276 1 0.0 0
Br1 Br-1 0.1601 0.3283 0.038 1 0.0 0
Br2 Br-1 0.2602 0.1721 0.2668 1 0.0 0
Br3 Br-1 0.6736 0.3875 0.0575 1 0.0 0
Br4 Br-1 0.9045 0.9602 0.1367 1 0.0 0
Br5 Br-1 0.4483 0.9778 0.1205 1 0.0 0
O1 O-2 0.349 0.321 0.448 1 0.0 2
O2 O-2 0.99 0.434 0.161 1 0.0 0
O3 O-2 0.738 0.164 0.256 1 0.0 2
N1 N+2 0.911 0.528 0.14 1 0.0 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-11-09T12:30:00+02:00
;
 Marked attached hydrogen atoms.
;
