#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005131.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_2005131
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year      1996
_journal_page_first    	1733
_journal_page_last    	1736
_publ_section_title
;
Tris(n-propyl)phosphine and Tris(isopropyl)phosphine
;
_chemical_formula_sum    	'C9 H21 P'
_chemical_formula_weight    	160.24
_symmetry_cell_setting    	monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2+y,1/2-z'
_cell_length_a    	8.622(3)
_cell_length_b    	14.368(2)
_cell_length_c    	8.928(2)
_cell_angle_alpha    	90
_cell_angle_beta    	106.19(2)
_cell_angle_gamma    	90
_cell_volume    	1062.2(5)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.00
_cell_measurement_temperature    	102
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_u_iso_or_equiv
P .0324(1) .2235(1) .8070(1) .018(1)
C1 -.0922(3) .3251(2) .7159(3) .020(1)
C2 -.1435(4) .3782(2) .8426(4) .027(2)
C3 .0035(4) .3889(2) .6387(4) .028(2)
C4 -.1166(3) .1364(2) .8386(4) .022(2)
C5 -.2950(4) .1525(2) .7540(4) .029(2)
C6 -.0932(4) .1236(3) 1.0133(4) .035(2)
C7 .0927(3) .1715(2) .6413(3) .020(1)
C8 -.0427(4) .1437(2) .4965(4) .029(2)
C9 .2072(4) .0898(2) .7016(4) .027(2)
H1 -.177(5) .303(3) .648(5) ?
H2a -.195(5) .341(3) .911(6) ?
H2b -.041(4) .410(2) .915(4) ?
H2c -.219(5) .427(3) .793(5) ?
H3a .050(5) .362(3) .557(5) ?
H3b .129(5) .405(3) .726(5) ?
H3c -.046(4) .444(3) .613(5) ?
H4 -.078(4) .081(3) .809(4) ?
H5a -.319(6) .160(4) .623(7) ?
H5b -.349(4) .210(3) .792(5) ?
H5c -.362(4) .099(3) .778(4) ?
H6a -.124(8) .181(5) 1.055(8) ?
H6b .023(4) .110(2) 1.069(4) ?
H6c -.177(6) .077(3) 1.016(6) ?
H7 .148(5) .220(3) .603(5) ?
H8a -.118(4) .197(3) .463(5) ?
H8b .008(4) .124(2) .411(5) ?
H8c -.118(5) .090(3) .516(5) ?
H9a .258(5) .064(3) .629(5) ?
H9b .300(5) .109(3) .783(5) ?
H9c .155(5) .039(3) .747(5) ?
_cod_database_code 2005131