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#$Date: 2016-12-12 01:03:57 +0200 (Mon, 12 Dec 2016) $
#$Revision: 189055 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/43/4344355.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_4344355
loop_
_publ_author_name
'Stynes, H. C.'
'Ibers, J. A.'
_publ_section_title
;
 Effect of Metal-Ligand Bond Distances on Rates of Electron-Transfer
 Reactions. The Crystal Structures of Hexaammineruthenium(II) Iodide, (Ru
 (N H3)6) I2 and Hexaammineruthenium(III) Tetrafluoroborate, (Ru (N H3)6)
 (B F4)3
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2304
_journal_page_last               2308
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'B3 F12 H18 N6 Ru'
_chemical_name_systematic        '(Ru (N H3)6) (B F4)3'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.385
_cell_length_b                   11.385
_cell_length_c                   11.385
_cell_volume                     1475.703
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Stynes_INOCAJ_1971_1092.cif
_cod_data_source_block           H18B3F12N6Ru1
_cod_original_cell_volume        1475.704
_cod_original_formula_sum        'H18 B3 F12 N6 Ru1'
_cod_database_code               4344355
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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
F3 F-1 0.1859 0.1859 0.1859 0.25 0.0 0
B1 B+3 0.5 0.5 0.5 1 0.0 0
Ru1 Ru+3 0 0 0 1 0.0 0
F2 F-1 0.25 0.25 0.1272 0.5 0.0 0
B2 B+3 0.25 0.25 0.25 1 0.0 0
F1 F-1 0.4286 0.4286 0.4286 0.5 0.0 0
N1 N-3 0.1848 0 0 1 0.0 3
