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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/31/2103171.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_2103171
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            'C16 H7 N O10 Os3 S'
_chemical_name_systematic
?2-2-Aminophenylthiolato)-(?2-hydrido)-decacarbonyl-tri-osmium
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.02
_cell_angle_beta                 99.50
_cell_angle_gamma                90.08
_cell_formula_units_Z            8
_cell_length_a                   25.815
_cell_length_b                   8.670
_cell_length_c                   19.420
_cell_volume                     4286.893
_cod_data_source_file            bm0047.cif
_cod_data_source_block           CSD_CIF_Table_10S
_cod_original_sg_symbol_H-M      ' C2/c  '
_cod_original_formula_sum        ' C16H7NO10Os3S '
_cod_database_code               2103171
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Os1,4 -.1424 .0840 .2204
Os2,6 -.1144 .0943 .0840
Os3,5 -.1852 .3194 .1237
S1,2 -.0935 .3582 .1166
N1,2 -.0164 .6136 .1296
O1,11 -.0520 .3024 .2770
O2,13 -.1906 .1252 .3525
O3,12 -.0806 -.2096 .2668
O4,14 -.2398 -.1039 .1566
O5,19 -.0943 .0981 -.0663
O6,18 -.1579 -.2316 .0654
O7,20 -.0040 -.0084 .1450
O8,16 -.2960 .2196 .1362
O9,15 -.2349 .5354 .0071
O10,17 -.1826 .5567 .2388
C1,17 -.0845 .2233 .2537
C2,19 -.1725 .1150 .3028
C3,18 -.1027 -.1005 .2500
C4,20 -.2032 -.0345 .1792
C5,25 -.1024 .1052 -.0100
C6,24 -.1423 -.1102 .0717
C7,26 -.0457 .0254 .1221
C8,22 -.2548 .2533 .1318
C9,21 -.2135 .4569 .0492
C10,23 -.1838 .4642 .1950
C11,27 -.0823 .4809 .0474
C12,28 -.0436 .5926 .0638
C13,29 -.0338 .6951 .0126
C14,30 -.0625 .6826 -.0546
C15,31 -.1006 .5706 -.0704
C16,32 -.1096 .4726 -.0197
loop_
_atom_type_symbol
C
Os
N
O
S
