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#$Date: 2016-01-09 14:51:00 +0200 (Sat, 09 Jan 2016) $
#$Revision: 174210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542175.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_1542175
loop_
_publ_author_name
'Bokii, G.B.'
'Parpiev, N.A.'
_publ_section_title
;
 X-ray structural analysis of crystals of Ru (N H3)4 (N O) (O H) Cl2
;
_journal_name_full               Kristallografiya
_journal_page_first              691
_journal_page_last               693
_journal_volume                  2
_journal_year                    1957
_chemical_formula_sum            'Cl2 H13 N5 O2 Ru'
_chemical_name_systematic        '(Ru (N H3)4 (N O) (O H)) Cl2'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.25
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.48
_cell_length_b                   7.44
_cell_length_c                   10.75
_cell_volume                     900.528
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Bokii_KRISAJ_1957_1697.cif
_cod_data_source_block           H13Cl2N5O2Ru1
_cod_chemical_formula_sum_orig   'H13 Cl2 N5 O2 Ru1'
_cod_database_code               1542175
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
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
Ru1 Ru+3 0.25 0 0.25 1 0.0
N1 N-3 0.149 0.21 0.126 1 0.0
N3 N-3 0.349 0.21 0.376 1 0.0
Cl2 Cl-1 0.375 0.5 0.146 1 0.0
N5 N+2 0.125 0 0.365 1 0.0
N2 N-3 0.149 -0.21 0.126 1 0.0
Cl1 Cl-1 0.116 0.5 0.365 1 0.0
N4 N-3 0.349 -0.21 0.376 1 0.0
O1 O-2 0.375 0 0.146 1 0.0
O2 O-2 0.058 -0.093 0.397 1 0.0