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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/73/1527366.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_1527366
loop_
_publ_author_name
'Fenn, R.H.'
'Graham, A.J.'
'Johnson, N.P.'
_publ_section_title
;
 Nitrido-, oxo-, and imidocomplexes. Part II. Crystal structure of
 potassium dioxotetracyanorhenate(V), K3 (Re O2 (C N)4, by neutron
 diffraction
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              2880
_journal_page_last               2883
_journal_volume                  1971
_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                109.6
_cell_angle_beta                 105.9
_cell_angle_gamma                115.4
_cell_formula_units_Z            1
_cell_length_a                   7.66
_cell_length_b                   7.45
_cell_length_c                   6.29
_cell_volume                     266.107
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Fenn_JCSIAP_1971_1846.cif
_cod_data_source_block           C4K3N4O2Re1
_cod_original_cell_volume        266.1074
_cod_original_formula_sum        'C4 K3 N4 O2 Re1'
_cod_database_code               1527366
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
K2 K+1 0.1657 0.3656 -0.2907 1 0.0
C2 C+2 -0.2934 -0.1205 0.0326 1 0.0
N1 N-3 0.1571 0.5381 0.3094 1 0.0
K1 K+1 0.5 0 0.5 1 0.0
C1 C+2 0.1005 0.3484 0.199 1 0.0
O1 O-2 0.1371 0.0247 0.2965 1 0.0
Re1 Re+5 0 0 0 1 0.0
N2 N-3 -0.4487 -0.1981 0.0583 1 0.0
