#------------------------------------------------------------------------------
#$Date: 2009-11-14 13:09:05 +0000 (Sat, 14 Nov 2009) $
#$Revision: 846 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003555.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_2003555
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  51
_journal_year         1995
_journal_page_first    	1152
_journal_page_last    	1155
_publ_section_title
;
Tris(n-butyl)phosphine, Tris(tert-butyl)phosphine and
Tris(trimethylsilyl)phosphine
;
_chemical_formula_sum    	'C9 H27 P Si3'
_chemical_formula_weight    	250.55
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'
_symmetry_space_group_name_H-M    	'P 21/n'
_cell_length_a    	9.859(2)
_cell_length_b    	15.010(6)
_cell_length_c    	11.947(5)
_cell_angle_alpha    	90
_cell_angle_beta    	113.91(2)
_cell_angle_gamma    	90
_cell_volume    	1616(1)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.03
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71073
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	8
_cell_measurement_theta_max    	15
_exptl_absorpt_coefficient_mu    	0.344
_cell_measurement_temperature    	102
_exptl_crystal_description    	'cylindrical'
_exptl_crystal_size_max    	'Height 0.4 mm'
_exptl_crystal_size_mid    	?
_exptl_crystal_size_min    	?
_exptl_crystal_size_rad    	0.1
_exptl_crystal_colour    	'colourless'
_chemical_compound_source    	?
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\w/2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	3767
_reflns_number_total    	3442
_reflns_number_observed    	2878
_reflns_observed_criterion    	I>2\s(I)
_diffrn_reflns_av_R_equivalents    	0.0020
_diffrn_reflns_theta_max    	27.5
_diffrn_reflns_limit_h_min    	-12
_diffrn_reflns_limit_h_max    	12
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	19
_diffrn_reflns_limit_l_min    	0
_diffrn_reflns_limit_l_max    	15
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	30
_diffrn_standards_decay_%    	10.2
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.034
_refine_ls_wR_factor_obs    	0.046
_refine_ls_goodness_of_fit_obs    	1.9
_refine_ls_number_reflns    	2878
_refine_ls_number_parameters    	226
_refine_ls_hydrogen_treatment    	'refall isotropically'
_refine_ls_weighting_scheme    	'1/\s^2^(F)'
_refine_ls_shift/esd_max    	0.05
_refine_diff_density_max    	0.42
_refine_diff_density_min    	-0.37
_refine_ls_extinction_method    	'none'
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	'IntTabIV'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    P .2299(1) .2511(1) -.0269(1) 0.015(1)
    Si(1) .1894(1) .1581(1) .1030(1) 0.016(1)
    Si(2) .2688(1) .3856(1) .0631(1) 0.018(1)
    Si(3) .4470(1) .2086(1) -.0298(1) 0.020(1)
    C(1) .3110(2) .1751(2) .2686(2) 0.024(1)
    C(2) -.0093(2) .1721(2) .0799(2) 0.024(1)
    C(3) .2137(3) .0418(1) .0587(2) 0.026(2)
    C(4) .4517(3) .4028(2) .1945(2) 0.028(1)
    C(5) .1182(3) .4058(2) .1172(2) 0.026(1)
    C(6) .2487(3) .4689(2) -.0581(2) 0.029(2)
    C(7) .5902(3) .1676(2) .1182(2) 0.032(2)
    C(8) .4035(3) .1185(2) -.1473(3) 0.033(2)
    C(9) .5250(3) .3052(2) -.0823(3) 0.038(2)
    H(1a) .281(3) .135(2) .316(3) 0.048(9)
    H(1b) .414(3) .167(2) .287(3) 0.050(9)
    H(1c) .296(3) .236(2) .293(2) 0.037(7)
    H(2a) -.072(3) .161(2) .001(3) 0.053(9)
    H(2b) -.028(3) .226(2) .102(2) 0.033(7)
    H(2c) -.031(3) .129(2) .133(3) 0.036(7)
    H(3a) .321(3) .030(2) .077(2) 0.033(7)
    H(3b) .184(3) .002(2) .104(2) 0.036(7)
    H(3c) .155(3) .035(2) -.026(3) 0.054(9)
    H(4a) .451(3) .459(2) .223(3) 0.055(9)
    H(4b) .473(3) .359(2) .261(3) 0.06(1)
    H(4c) .524(3) .401(2) .165(3) 0.040(8)
    H(5a) .020(3) .393(2) .058(3) 0.052(9)
    H(5b) .131(3) .370(2) .187(3) 0.041(8)
    H(5c) .125(3) .467(2) .144(2) 0.033(7)
    H(6a) .324(3) .465(2) -.091(3) 0.041(8)
    H(6b) .151(3) .462(2) -.125(3) 0.040(8)
    H(6c) .259(3) .528(2) -.026(2) 0.037(7)
    H(7a) .677(4) .153(2) .105(3) 0.06(1)
    H(7b) .613(4) .209(2) .180(3) 0.07(1)
    H(7c) .557(3) .115(2) .142(3) 0.044(9)
    H(8a) .498(3) .097(2) -.155(3) 0.049(8)
    H(8b) .340(3) .141(2) -.227(3) 0.043(8)
    H(8c) .363(3) .069(2) -.128(3) 0.051(9)
    H(9a) .609(4) .288(2) -.093(3) 0.06(1)
    H(9b) .552(3) .355(2) -.021(3) 0.055(9)
    H(9c) .460(3) .327(2) -.157(3) 0.053(9)