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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/4/34/43/4344332.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_4344332
loop_
_publ_author_name
'Murmann, R.K.'
'Schlemper, E.O.'
_publ_section_title
;
 The Structure of Crystalline Potassium Dioxotetracyanothenium(V), K3 Re
 O2 (C N)4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2352
_journal_page_last               2355
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'C4 K3 N4 O2 Re'
_chemical_name_systematic        'K3 (Re O2 (C N)4)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.37
_cell_angle_beta                 110.2
_cell_angle_gamma                114.63
_cell_formula_units_Z            1
_cell_length_a                   7.47
_cell_length_b                   7.597
_cell_length_c                   6.329
_cell_volume                     268.908
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Murmann_INOCAJ_1971_1167.cif
_cod_data_source_block           C4K3N4O2Re1
_cod_original_cell_volume        268.9079
_cod_original_formula_sum        'C4 K3 N4 O2 Re1'
_cod_database_code               4344332
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Re1 Re+5 0 0 0 1 0.0
N2 N-3 0.5398 0.16 0.3117 1 0.0
N1 N-3 0.1983 0.448 -0.0611 1 0.0
C2 C+2 0.349 0.1 0.1994 1 0.0
C1 C+2 0.1213 0.2946 -0.0339 1 0.0
K2 K+1 -0.3618 -0.1635 0.2942 1 0.0
O1 O-2 0.0275 0.137 0.2968 1 0.0
K1 K+1 0 0.5 0.5 1 0.0
