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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/4/34/42/4344288.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_4344288
loop_
_publ_author_name
'von Ahsen, B.'
'Koeckerling, M.'
'Berkei, M.'
'Bach, C.'
'Haegele, G.'
'Willner, H.'
'Aubke, F.'
_publ_section_title
;
 Cationic carbonyl complexes of rhodium(I) and rhodium(III): syntheses,
 vibrational spectra, NMR studies and molecular structures of
 tetrakis(carbonyl) rhodium(I) heptachlorodialuminate and - gallate, (Rh
 (C O)4) (Al2 Cl7) and (Rh (C O)4) (Ga2 Cl7)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3801
_journal_page_last               3814
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C4 Al2 Cl7 O4 Rh'
_chemical_name_systematic        '(Rh (C O)4) (Al2 Cl7)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.52
_cell_angle_beta                 76.05
_cell_angle_gamma                66.15
_cell_formula_units_Z            2
_cell_length_a                   9.705
_cell_length_b                   9.8
_cell_length_c                   10.268
_cell_volume                     856.664
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            vonAhsen_INOCAJ_2003_949.cif
_cod_data_source_block           C4Al2Cl7O4Rh1
_cod_original_cell_volume        856.6641
_cod_original_formula_sum        'C4 Al2 Cl7 O4 Rh1'
_cod_database_code               4344288
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
Cl5 Cl-1 0.3136 0.648 0.048 1 0.0
C1 C 0.062 0.646 -0.143 1 0.0
Cl1 Cl-1 0.1807 0.684 0.3949 1 0.0
Cl7 Cl-1 0.2441 0.9771 0.1748 1 0.0
C3 C 0.465 -0.022 0.699 1 0.0
C4 C 0.301 -0.007 0.5125 1 0.0
Al1 Al+3 0.2996 0.4331 0.419 1 0.0
O3 O 0.4459 -0.0383 0.8114 1 0.0
Al2 Al+3 0.1694 0.8038 0.177 1 0.0
Cl2 Cl-1 0.5302 0.3812 0.3374 1 0.0
C2 C 0.209 0.359 -0.0223 1 0.0
Cl3 Cl-1 0.2631 0.3663 0.6298 1 0.0
Cl6 Cl-1 -0.0608 0.878 0.1595 1 0.0
O4 O 0.1858 -0.0132 0.5213 1 0.0
O2 O 0.332 0.2779 -0.0349 1 0.0
Cl4 Cl-1 0.1893 0.3489 0.3221 1 0.0
Rh2 Rh+1 0.5 0 0.5 1 0.0
Rh1 Rh+1 0 0.5 0 1 0.0
O1 O 0.0953 0.7287 -0.2249 1 0.0
