#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$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
_publ_section_title
;
[Os~5~(\m-H)~2~(CO)~16~]: a Second Crystal Form
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              1607
_journal_page_last               1609
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         '[Os5 (H)2 (CO)16 ]'
_chemical_formula_sum            'C16 H2 O16 Os5'
_chemical_formula_weight         1401.17
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.5672(20)
_cell_length_b                   15.9577(12)
_cell_length_c                   14.5196(12)
_cell_measurement_temperature    294
_cell_volume                     2448.4(5)
_exptl_crystal_density_diffrn    3.801
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2005101
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
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