#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004764.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_2004764
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first     863
_journal_page_last     865
_publ_section_title
;
Tetraphenylphosphonium trans-Aquatetrabromo(carbonyl)osmate(III),
trans-[(C~6~H~5~)~4~P][OsBr~4~(CO)(H~2~O)]
;
_chemical_formula_iupac     '(C24 H20 P) [Os Br4 (C O) (H2 O)]'
_chemical_formula_sum     'C25 H22 Br4 O2 Os P'
_chemical_formula_structural
;
'trans-[(C~6~H~5~)~4~P][OsBr~4~(CO)(H~2~O)]'
;
_chemical_formula_weight     895.24
_symmetry_cell_setting    'triclinic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
_symmetry_space_group_name_H-M     'P -1'
_cell_length_a     10.5458(9)
_cell_length_b     12.4347(10)
_cell_length_c     12.5963(12)
_cell_angle_alpha     65.749(9)
_cell_angle_beta     85.167(8)
_cell_angle_gamma     68.828(7)
_cell_volume     1400.4(2)
_cell_formula_units_Z     2
_exptl_crystal_density_diffrn     2.123
_cell_measurement_temperature     293(2)
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
Os 1  .67509(3)  .26071(3)  .66938(3)  .04705(9)
Br1 1  .77001(7)  .39423(7)  .49915(6)  .0543(2)
Br2 1  .74873(8)  .09705(7)  .59104(7)  .0631(2)
Br3 1  .58407(10)  .44174(8)  .72967(7)  .0710(3)
Br4 1  .56277(10)  .13595(8)  .82619(8)  .0812(3)
C 1  .8285(10)  .1882(8)  .7633(7)  .066(2)
O 1  .9266(7)  .1371(6)  .8264(6)  .091(2)
Ow 1  .4877(5)  .3419(5)  .5579(5)  .0628(14)
HB 1  .488(9)    .374(7)    .4844(19)  .085
HA 1  .421(6)    .392(6)    .577(7)    .085
P 1  .8987(2)  .6842(2)  .73605(15)  .0421(4)
C11 1 1.0067(7)  .7367(6)  .7900(6)  .045(2)
C21 1  .9993(6)  .5288(6)  .7463(5)  .043(2)
C31 1  .7567(7)  .6823(6)  .8240(5)  .046(2)
C41 1  .8325(7)  .7882(6)  .5880(5)  .043(2)
C12 1  .9680(8)  .7820(7)  .8749(6)  .059(2)
H12 1  .8819(8)  .7905(7)  .9024(6)  .063(5)
C13 1 1.0559(9)  .8150(8)  .9194(7)  .068(2)
H13 1 1.0280(9)  .8471(8)  .9759(7)  .063(5)
C14 1 1.1820(9)  .8013(7)  .8820(8)  .069(2)
H14 1 1.2408(9)  .8229(7)  .9135(8)  .063(5)
C15 1 1.2237(8)  .7559(7)  .7983(7)  .063(2)
H15 1 1.3107(8)  .7470(7)  .7724(7)  .063(5)
C16 1 1.1371(7)  .7233(7)  .7522(6)  .055(2)
H16 1 1.1659(7)  .6919(7)  .6953(6)  .063(5)
C22 1 1.1049(8)  .4516(7)  .8311(6)  .062(2)
H22 1 1.1218(8)  .4793(7)  .8848(6)  .063(5)
C23 1 1.1857(9)  .3342(7)  .8373(8)  .074(2)
H23 1 1.2581(9)  .2832(7)  .8940(8)  .063(5)
C24 1 1.1590(8)  .2928(7)  .7599(7)  .067(2)
H24 1 1.2129(8)  .2129(7)  .7643(7)  .063(5)
C25 1 1.0545(9)  .3674(7)  .6766(7)  .068(2)
H25 1 1.0388(9)  .3386(7)  .6234(7)  .063(5)
C26 1  .9709(7)  .4854(7)  .6691(6)  .054(2)
H26 1  .8973(7)  .5347(7)  .6135(6)  .063(5)
C32 1  .6620(7)  .7956(7)  .8212(6)  .053(2)
H32 1  .6683(7)  .8719(7)  .7687(6)  .063(5)
C33 1  .5588(7)  .7953(8)  .8960(6)  .059(2)
H33 1  .4976(7)  .8706(8)  .8969(6)  .063(5)
C34 1  .5478(8)  .6812(8)  .9696(6)  .063(2)
H34 1  .4771(8)  .6808(8) 1.0190(6)  .063(5)
C35 1  .6366(8)  .5701(8)  .9720(6)  .062(2)
H35 1  .6270(8)  .4948(8) 1.0231(6)  .063(5)
C36 1  .7433(7)  .5680(7)  .8980(6)  .051(2)
H36 1  .8039(7)  .4920(7)  .8981(6)  .063(5)
C42 1  .7051(8)  .8008(7)  .5504(6)  .059(2)
H42 1  .6547(8)  .7566(7)  .6019(6)  .063(5)
C43 1  .6553(9)  .8778(8)  .4383(7)  .068(2)
H43 1  .5700(9)  .8877(8)  .4126(7)  .063(5)
C44 1  .7317(9)  .9411(7)  .3630(7)  .063(2)
H44 1  .6968(9)  .9945(7)  .2863(7)  .063(5)
C45 1  .8568(8)  .9274(6)  .3978(6)  .057(2)
H45 1  .9072(8)  .9700(6)  .3445(6)  .063(5)
C46 1  .9095(7)  .8514(6)  .5107(6)  .047(2)
H46 1  .9950(7)  .8424(6)  .5351(6)  .063(5)
_cod_database_code 2004764