#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/37/4343752.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_4343752
loop_
_publ_author_name
'Churchill, M.R.'
'Hollander, F.J.'
_publ_section_title
;
 Structural studies on polynuclear osmium carbonyl hydrides. 4. Crystal
 structure and molecular geometry of H Os3 Re (C O)15 , a rhomboidal metal
 cluster species
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2493
_journal_page_last               2497
_journal_volume                  16
_journal_year                    1977
_chemical_formula_sum            'C15 H O15 Os3 Re'
_chemical_name_systematic        'H Os3 Re (C O)15'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.14
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.557
_cell_length_b                   10.481
_cell_length_c                   10.144
_cell_volume                     1097.312
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Churchill_INOCAJ_1977_741.cif
_cod_data_source_block           C15H1O15Os3Re1
_cod_original_sg_symbol_Hall     '-C 2y (x,y,-x+z)'
_cod_original_formula_sum        'C15 H1 O15 Os3 Re1'
_cod_database_code               4343752
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,-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
C2 C+2 0.3112 0 0.614 1 0.0
C6 C+2 0.0467 0.297 0.4924 0.25 0.0
Os2 Os 0.2196 0 0.42974 1 0.0
C1 C+2 0.128 0 0.2471 1 0.0
O6 O-2 0.087 0.413 0.4741 0.25 0.0
C5 C+2 0.1125 0.2772 0.4535 0.5 0.0
C3 C+2 0.3291 0.1307 0.388 1 0.0
O3 O-2 0.397 0.2062 0.3629 1 0.0
C4 C+2 0.0887 0.1397 0.6849 1 0.0
O5 O-2 0.1729 0.3671 0.4336 0.5 0.0
O2 O-2 0.3745 0 0.7244 1 0.0
Re1 Re 0 0.14047 0.5 0.5 0.0
Os1 Os 0 0.14047 0.5 0.5 0.0
O4 O-2 0.1467 0.1508 0.795 1 0.0
O1 O-2 0.0807 0 0.13 1 0.0
