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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/74/2107410.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107410
loop_
_publ_author_name
'Veal, J.T.'
'Hodgson, D.J.'
_publ_section_title
;
 The crystal and molecular structure of Potassium
 pentachloronitrosylruthenate(II), K2 (Ru (N O) Cl5)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3525
_journal_page_last               3529
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Cl5 K2 N O Ru'
_chemical_name_systematic        'K2 (Ru (N O) Cl5)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.363
_cell_length_b                   13.292
_cell_length_c                   6.88
_cell_volume                     947.686
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Veal_ACBCAR_1972_730.cif
_cod_data_source_block           Cl5K2N1O1Ru1
_cod_original_cell_volume        947.6855
_cod_original_formula_sum        'Cl5 K2 N1 O1 Ru1'
_cod_database_code               2107410
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-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
Cl2 Cl-1 0.2298 0.1353 0.1771 1 0.0
O1 O-2 0.0081 0.3017 -0.107 1 0.0
N1 N+3 0.0053 0.2412 0.0055 1 0.0
K1 K+1 0.2498 0.3968 0.3511 1 0.0
Cl5 Cl-1 0.5025 0.4736 0.0918 1 0.0
Cl1 Cl-1 -0.2272 0.1403 0.1816 1 0.0
Cl4 Cl-1 -0.0016 0.2466 0.4508 1 0.0
Ru1 Ru+2 0.0007 0.1417 0.1711 1 0.0
K2 K+1 -0.251 0.3937 0.3516 1 0.0
Cl3 Cl-1 0.0029 0.0012 0.3808 1 0.0
