data_2003554
_journal_name_full    'Acta Crystallographica'
_journal_year         1995
_journal_volume    	C51
_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    	'C12 H27 P'
_chemical_formula_weight    	202.32
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-x,-y,z+1/2'
_symmetry_space_group_name_H-M    	'P 21/n'
_cell_length_a    	9.219(1)
_cell_length_b    	13.768(5)
_cell_length_c    	11.133(2)
_cell_angle_alpha    	90
_cell_angle_beta    	111.36(1)
_cell_angle_gamma    	90
_cell_volume    	1316.0(6)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.02
_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    	16
_exptl_absorpt_coefficient_mu    	0.167
_cell_measurement_temperature    	102
_exptl_crystal_description    	'cylindrical'
_exptl_crystal_size_max    	'Height 0.4'
_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    	3270
_reflns_number_total    	2973
_reflns_number_observed    	2412
_reflns_observed_criterion    	I>2\s(I)
_diffrn_reflns_av_R_equivalents    	0.0071
_diffrn_reflns_theta_max    	27.4
_diffrn_reflns_limit_h_min    	-11
_diffrn_reflns_limit_h_max    	11
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	17
_diffrn_reflns_limit_l_min    	0
_diffrn_reflns_limit_l_max    	14
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	30
_diffrn_standards_decay_%    	6.9
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.040
_refine_ls_wR_factor_obs    	0.045
_refine_ls_goodness_of_fit_obs    	1.8
_refine_ls_number_reflns    	2412
_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    	0.51
_refine_diff_density_min    	-0.29
_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 .2437(1) .2495(1) .4644(1) 0.015(1)
    C(1) .4370(2) .2849(1) .4499(2) 0.023(1)
    C(2) .4015(2) .3674(2) .3494(2) 0.032(1)
    C(3) .4937(2) .1997(2) .3896(2) 0.032(1)
    C(4) .5713(2) .3163(2) .5730(2) 0.029(1)
    C(5) .2693(2) .1238(1) .5430(1) 0.019(1)
    C(6) .1351(2) .1058(1) .5905(2) 0.025(1)
    C(7) .4230(2) .1026(1) .6547(2) 0.024(1)
    C(8) .2457(2) .0487(1) .4346(2) 0.028(1)
    C(9) .2063(2) .3388(1) .5810(1) 0.019(1)
    C(10) .2283(2) .4428(1) .5408(2) 0.029(1)
    C(11) .0318(2) .3317(1) .5605(2) 0.025(1)
    C(12) .3037(2) .3271(1) .7250(2) 0.023(1)
    H(2a) .324(3) .349(2) .267(2) 0.040(6)
    H(2b) .370(2) .426(2) .377(2) 0.029(5)
    H(2c) .495(3) .379(2) .329(2) 0.044(6)
    H(3a) .531(2) .146(2) .450(2) 0.035(6)
    H(3b) .581(3) .227(2) .370(2) 0.043(6)
    H(3c) .413(2) .179(1) .310(2) 0.033(5)
    H(4a) .663(2) .330(1) .554(2) 0.036(6)
    H(4b) .549(2) .376(2) .612(2) 0.030(5)
    H(4c) .594(2) .269(1) .642(2) 0.030(5)
    H(6a) .144(2) .142(1) .665(2) 0.020(5)
    H(6b) .137(2) .038(2) .612(2) 0.033(5)
    H(6c) .033(3) .119(2) .522(2) 0.040(6)
    H(7a) .506(3) .100(2) .627(2) 0.041(6)
    H(7b) .442(2) .148(1) .726(2) 0.022(5)
    H(7c) .414(2) .039(2) .688(2) 0.037(6)
    H(8a) .238(2) -.017(2) .470(2) 0.036(6)
    H(8b) .322(2) .051(1) .399(2) 0.033(5)
    H(8c) .149(3) .060(2) .362(2) 0.041(6)
    H(10a) .169(2) .452(1) .448(2) 0.022(5)
    H(10b) .190(2) .486(1) .589(2) 0.026(5)
    H(10c) .336(2) .462(1) .558(2) 0.030(5)
    H(11a) -.028(2) .340(1) .471(2) 0.030(5)
    H(11b) -.001(2) .269(2) .589(2) 0.038(6)
    H(11c) .001(2) .385(1) .610(2) 0.028(5)
    H(12a) .285(2) .266(1) .760(2) 0.024(5)
    H(12b) .413(2) .331(1) .744(2) 0.032(5)
    H(12c) .275(2) .375(1) .772(2) 0.027(5)