#------------------------------------------------------------------------------
#$Date: 2008-01-26 17:25:03 +0000 (Sat, 26 Jan 2008) $
#$Revision: 20 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005101.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_2005101
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    	C52
_journal_page_first    	1607
_journal_page_last    	1609
_publ_section_title
;
[Os~5~(\m-H)~2~(CO)~16~]: a Second Crystal Form
;
_chemical_formula_moiety    	'[Os5 (H)2 (CO)16 ]'
_chemical_formula_sum    	'C16 H2 O16 Os5'
_chemical_formula_weight    	1401.17
_symmetry_cell_setting    	Orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
-x,1/2-y,1/2+z
x,1/2+y,1/2-z
_symmetry_space_group_name_H-M    	'P m n b'
_cell_length_a    	10.5672(20)
_cell_length_b    	15.9577(12)
_cell_length_c    	14.5196(12)
_cell_angle_alpha    	90.0
_cell_angle_beta    	90.0
_cell_angle_gamma    	90.0
_cell_volume    	2448.4(5)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	3.801
_cell_measurement_temperature    	294
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Os1 1.00000 0.25000 0.60168(6) -0.08461(7) 0.03156
Os2 1.00000 0.11701(6) 0.75077(3) -0.02260(4) 0.02318
Os3 1.00000 0.25000 0.76754(6) 0.15535(6) 0.02708
Os4 1.00000 0.25000 0.89823(5) 0.02873(6) 0.02510
O11 1.0000 0.2500 0.6763(13) -0.2792(12) 0.0505
O12 1.0000 0.0444(16) 0.4765(10) -0.1410(14) 0.0616
O13 1.0000 0.2500 0.5307(11) 0.1135(14) 0.0412
O21 1.0000 0.0812(14) 0.8188(8) -0.2144(9) 0.0470
O22 1.0000 -0.0975(12) 0.8636(9) 0.0445(11) 0.0438
O23 1.0000 -0.0943(13) 0.6221(9) -0.0338(11) 0.0453
O31 1.0000 0.2500 0.6250(14) 0.2961(16) 0.0582
O32 1.0000 0.4576(15) 0.8637(10) 0.2536(11) 0.0516
O41 1.0000 0.2500 0.9836(12) -0.1578(13) 0.0415
O42 1.0000 0.4478(12) 1.0123(8) 0.1118(10) 0.0470
C11 1.0000 0.2500 0.6539(15) -0.2109(18) 0.033(5)
C12 1.0000 0.1195(20) 0.5221(13) -0.1213(14) 0.049(5)
C13 1.0000 0.2500 0.5554(14) 0.0424(16) 0.031(5)
C21 1.0000 0.0979(15) 0.7948(10) -0.1452(11) 0.027(3)
C22 1.0000 -0.0122(18) 0.8264(10) 0.0210(12) 0.038(4)
C23 1.0000 -0.0105(18) 0.6684(11) -0.0327(11) 0.037(4)
C31 1.0000 0.2500 0.6727(18) 0.2433(20) 0.045(6)
C32 1.0000 0.3799(18) 0.8273(11) 0.2176(13) 0.041(4)
C41 1.0000 0.2500 0.9543(12) -0.0873(14) 0.021(4)
C42 1.0000 0.3751(17) 0.9678(10) 0.0823(12) 0.036(4)
H1 1.0000 0.1307 0.7041 0.0936 0.0500