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#$Date: 2016-09-16 13:55:27 +0200 (vie 16 de sep de 2016) $
#$Revision: 186592 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/64/1536416.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_1536416
loop_
_publ_author_name
'Kanishcheva, A.S.'
'Mikhailov, Yu.N.'
'Svetlov, A.A.'
_publ_section_title
;
 Crystal structures of nitrosotetramminocomplex of osmium
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1760
_journal_page_last               1766
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Br3 H12 N5 O Os'
_chemical_name_systematic        '(Os N O (N H3)4 Br) Br2'
_space_group_IT_number           107
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.625
_cell_length_b                   7.625
_cell_length_c                   8.718
_cell_volume                     506.870
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Kanishcheva_ZNOKAQ_1990_1040.cif
_cod_data_source_block           H12Br3N5O1Os1
_cod_original_cell_volume        506.87
_cod_original_formula_sum        'H12 Br3 N5 O1 Os1'
_cod_database_code               1536416
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
_atom_site_attached_hydrogens
Br2 Br-1 0.5 0 0.2635 1 0.0 0
O1 O-2 0 0 0.34 1 0.0 0
Br1 Br-1 0 0 0.7218 1 0.0 0
Os1 Os+2 0 0 0.01 1 0.0 0
N1 N+3 0 0 0.2035 1 0.0 0
N2 N-3 0.3036 0.3036 0.5078 1 0.0 3
