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#$Date: 2018-02-05 00:40:03 +0200 (Mon, 05 Feb 2018) $
#$Revision: 206169 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/42/4344214.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_4344214
loop_
_publ_author_name
'Churchill, M.R.'
'Amoh, K.N.'
'Wassermann, H.J.'
_publ_section_title
;
 Dedetermination of the crystal structure of ddimanganese decacarbonyl and
 determination of the crystal structure of dirhenium decacarbonyl. Revised
 values for the Mn-Mn and Re-Re bond lengths in Mn2 (C O)10 and Re2 (C
 O)10
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1609
_journal_page_last               1611
_journal_volume                  20
_journal_year                    1981
_chemical_formula_sum            'C10 O10 Re2'
_chemical_name_systematic        'Re2 (C O)10'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.799
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.6576
_cell_length_b                   7.1188
_cell_length_c                   14.8152
_cell_volume                     1487.486
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Churchill_INOCAJ_1981_1396.cif
_cod_data_source_block           C10O10Re2
_cod_database_code               4344214
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y,-z
3 -x,-y,-z
4 x-1/2,-y,z
5 x+1/2,y+1/2,z+1/2
6 -x+1,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z+1/2
8 x,-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
C4 C+2 0.12682 -0.01661 0.97525 1 0.0
Re1 Re 0.15279 0.23214 0.92937 1 0.0
C2 C+2 0.10455 0.34368 1.02977 1 0.0
C1 C+2 0.03285 0.24045 0.83424 1 0.0
O4 O-2 0.1083 -0.15514 1.0026 1 0.0
O2 O-2 0.07825 0.40494 1.08922 1 0.0
C5 C+2 0.18941 0.4887 0.89459 1 0.0
O1 O-2 -0.0369 0.24882 0.77591 1 0.0
C3 C+2 0.2201 0.11321 0.84504 1 0.0
O5 O-2 0.21084 0.63243 0.87805 1 0.0
O3 O-2 0.25888 0.04355 0.7971 1 0.0
