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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/1/52/72/1527248.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_1527248
loop_
_publ_author_name
'Clegg, W.'
'Wheatley, P.J.'
_publ_section_title
;
 Crystal and molecular structure of mercuriobis(pentacarbonylmanganese),
 Hg (Mn (C O)5)2
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              3572
_journal_page_last               3574
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'C10 Hg Mn2 O10'
_chemical_name_systematic        'Hg (Mn (C O)5)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.86
_cell_angle_beta                 81.66
_cell_angle_gamma                97.44
_cell_formula_units_Z            1
_cell_length_a                   6.325
_cell_length_b                   9.479
_cell_length_c                   6.33
_cell_volume                     372.336
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Clegg_JCSIAP_1971_1849.cif
_cod_data_source_block           C10Hg1Mn2O10
_cod_original_cell_volume        372.3356
_cod_original_formula_sum        'C10 Hg1 Mn2 O10'
_cod_database_code               1527248
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
C3 C+2 -0.0898 0.2597 0.2771 1 0.0
Hg1 Hg 0 0 0 1 0.0
O1 O-2 0.4016 0.5111 0.2818 1 0.0
O5 O-2 0.5842 0.1571 -0.1209 1 0.0
C5 C+2 0.4289 0.1877 -0.0253 1 0.0
O3 O-2 -0.2558 0.2716 0.3577 1 0.0
C4 C+2 0.2322 0.1326 0.3612 1 0.0
C1 C+2 0.3194 0.4098 0.2241 1 0.0
C2 C+2 0.1099 0.3183 -0.1083 1 0.0
O4 O-2 0.2607 0.0725 0.5003 1 0.0
O2 O-2 0.0672 0.3661 -0.2567 1 0.0
Mn1 Mn 0.1841 0.2405 0.1328 1 0.0
