#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/31/2103198.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2103198
loop_
_publ_author_name
'Marsh, Richard E.'
'Kapon, Moshe'
'Hu, Shengzhi'
'Herbstein, Frank H.'
_publ_section_title
;
 Some 60 new space-group corrections
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               77
_journal_paper_doi               10.1107/S0108768101017128
_journal_volume                  58
_journal_year                    2002
_chemical_formula_sum            'C17 H2 Co Ir O2'
_chemical_name_systematic
;
Bis(?2-Carbonyl)-(?5-cyclopentadienyl)-(?5-pentamethyl-cyclopentadienyl)
-cobalt-iridium
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.700
_cell_angle_gamma                90.00
_cell_length_a                   17.305
_cell_length_b                   9.299
_cell_length_c                   10.2970
_cell_volume                     1653.531
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_37S
_cod_original_sg_symbol_H-M      ' C2/m  '
_cod_original_formula_sum        ' C17H2 CoIrO2    '
_cod_database_code               2103198
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ir1 -.3328 .0 -.2539
Co1 -.2244 .0 -.0900
O1 -.1734 .0 -.3474
O2 -.3740 .0 .0232
C1 -.2232 .0 -.2672
C2 -.3293 .0 -.0664
C5 -.4984 .1686 -.2224
C6 -.3880 .2778 -.4367
C7 -.3287 .0 -.5785
C11 -.4541 .0750 -.3056
C21 -.4038 .1223 -.4028
C31 -.3702 .0 -.4674
C110 -.1850 .0781 .0876
C120 -.1326 .1200 -.0052
C130 -.1038 .0 -.0584
loop_
_atom_type_symbol
C
Ir
Co
O
