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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/4/34/36/4343648.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_4343648
loop_
_publ_author_name
'Churchill, M.R.'
'Lashewycz, R.A.'
_publ_section_title
;
 Structural studies on polynuclear osmium carbonyl hydrides. 12. Molecular
 geometry of mue-chloro-mue-hydrido-decacarbonyl triosmium, (mue-H)
 (mue-Cl) Os3 (C O)10, and characterization of the Os(mue-H) (mue-Cl)Os
 bridge
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1926
_journal_page_last               1930
_journal_volume                  18
_journal_year                    1979
_chemical_formula_sum            'C10 H Cl O10 Os3'
_chemical_name_systematic        'H Cl Os3 (C O)10'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.829
_cell_angle_beta                 103.028
_cell_angle_gamma                110.677
_cell_formula_units_Z            2
_cell_length_a                   7.823
_cell_length_b                   8.8678
_cell_length_c                   13.6583
_cell_volume                     849.607
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Churchill_INOCAJ_1979_565.cif
_cod_data_source_block           C10H1Cl1O10Os3
_cod_original_cell_volume        849.6069
_cod_original_formula_sum        'C10 H1 Cl1 O10 Os3'
_cod_database_code               4343648
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
O3 O-2 0.3049 0.6185 0.3177 1 0.0
C4 C+2 0.3402 0.2662 0.4231 1 0.0
C6 C+2 0.3845 0.0896 0.1623 1 0.0
C1 C+2 0.2283 0.3305 0.0918 1 0.0
Os1 Os 0.09399 0.27875 0.19077 1 0.0
O10 O-2 -0.4343 -0.2482 0.1631 1 0.0
Cl1 Cl -0.071 0.1819 0.32001 1 0.0
O4 O-2 0.325 0.3184 0.4969 1 0.0
C10 C+2 -0.2808 -0.1729 0.1889 1 0.0
O5 O-2 0.5664 -0.0345 0.403 1 0.0
O1 O-2 0.3111 0.359 0.0322 1 0.0
C5 C+2 0.4971 0.0432 0.3635 1 0.0
H1 H -0.04 0.063 0.128 1 0.0
O9 O-2 0.0698 -0.1867 0.4305 1 0.0
C7 C+2 0.5976 0.3708 0.3062 1 0.0
Os2 Os 0.37925 0.1783 0.29555 1 0.0
C8 C+2 0.056 -0.1939 0.1645 1 0.0
Os3 Os -0.00625 -0.04212 0.23835 1 0.0
C3 C+2 0.2316 0.4962 0.2671 1 0.0
O7 O-2 0.7263 0.4847 0.3076 1 0.0
O2 O-2 -0.2483 0.3426 0.0714 1 0.0
C2 C+2 -0.126 0.3149 0.1141 1 0.0
O6 O-2 0.3881 0.0389 0.0826 1 0.0
O8 O-2 0.0914 -0.2886 0.12 1 0.0
C9 C+2 0.0439 -0.1338 0.3569 1 0.0
