#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003371.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_2003371
_journal_name_full     'Acta Crystallographica'
_journal_year          1995
_journal_volume    	C51
_journal_page_first    	654
_journal_page_last    	657
_publ_section_title    	
;
Steric Effects in Heteroboranes. VI.
1-Ph-2-^t^BuMe~2~Si-1,2-closo-C~2~B~10~H~10~
;
_chemical_formula_moiety    	'C14 H30 B10 Si'
_chemical_formula_sum    	'C14 H30 B10 Si'
_chemical_formula_weight    	334.58
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-x,-y,-z'
_symmetry_space_group_name_H-M    	'P-1'
_cell_length_a    	9.3854(19)
_cell_length_b    	10.2938(26)
_cell_length_c    	13.061(5)
_cell_angle_alpha    	68.607(25)
_cell_angle_beta    	70.281(24)
_cell_angle_gamma    	64.998(17)
_cell_volume    	1039.3(5)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.069
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71069
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	7
_cell_measurement_theta_max    	12
_exptl_absorpt_coefficient_mu    	0.103
_cell_measurement_temperature    	293(1)
_exptl_crystal_description    	'block'
_exptl_crystal_size_max    	0.45
_exptl_crystal_size_mid    	0.4
_exptl_crystal_size_min    	0.35
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'colourless'
_chemical_compound_source    	
;slow diffusion of water into a methanol solution at 277K
;
_diffrn_measurement_device    	'CAD4'
_diffrn_measurement_method    	'\w-2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	3895
_reflns_number_total    	3650
_reflns_number_observed    	2707
_reflns_observed_criterion    	F>=2.0\s(F)
_diffrn_reflns_av_R_equivalents    	0.0089
_diffrn_reflns_theta_max    	25
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	11
_diffrn_reflns_limit_k_min    	-13
_diffrn_reflns_limit_k_max    	13
_diffrn_reflns_limit_l_min    	-15
_diffrn_reflns_limit_l_max    	15
_diffrn_standards_number    	2
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	480
_diffrn_standards_decay_%    	<1
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.0836
_refine_ls_wR_factor_obs    	0.0939
_refine_ls_goodness_of_fit_obs    	1.351
_refine_ls_number_reflns    	2707
_refine_ls_number_parameters    	230
_refine_ls_hydrogen_treatment    	?
_refine_ls_weighting_scheme    	'1/[\s^2^(F)+0.000930F^2^]'
_refine_ls_shift/esd_max    	0.000
_refine_diff_density_max    	0.29
_refine_diff_density_min    	-0.26
_refine_ls_extinction_method    	none
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	'SHELX76 (Sheldrick, 1976)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    Si(1) .33786(13) .73901(13) .73148(10) .0527(9)
    C(1) .2108(4) .4874(4) .7440(3) .046(3)
    C(2) .1788(4) .6754(4) .7173(3) .046(3)
    B(3) .2301(6) .5959(5) .6062(4) .052(4)
    B(4) .1369(6) .4604(5) .6532(4) .063(4)
    B(5) .0316(6) .4580(6) .7953(4) .065(4)
    B(6) .0655(5) .5899(5) .8336(4) .051(3)
    B(7) .0806(6) .7707(5) .6083(4) .058(4)
    B(8) .0516(6) .6379(6) .5687(4) .069(4)
    B(9) -.0758(6) .5550(7) .6852(5) .078(5)
    B(10) -.1175(6) .6332(6) .7962(5) .069(4)
    B(11) -.0224(5) .7659(5) .7488(4) .057(4)
    B(12) -.1089(6) .7452(7) .6569(5) .076(5)
    C(12) .3453(3) .3001(3) .8985(2) .065(4)
    C(13) .4803(3) .1896(3) .9371(2) .092(5)
    C(14) .6264(3) .1486(3) .8609(2) .098(5)
    C(15) .6376(3) .2180(3) .7461(2) .092(5)
    C(16) .5027(3) .3284(3) .7075(2) .071(4)
    C(11) .3565(3) .3695(3) .7837(2) .051(3)
    C(21) .2428(5) .9294(5) .7605(4) .068(4)
    C(22) .4384(6) .6052(5) .8473(4) .081(4)
    C(23) .4871(5) .7477(6) .5939(4) .091(5)
    C(31) .1446(7) 1.0499(5) .6770(5) .097(5)
    C(41) .3834(6) .9745(6) .7546(5) .095(5)
    C(51) .1392(6) .9225(6) .8807(5) .099(5)
    H(102) .2322 .3318 .9575 ?
    H(103) .4716 .1358 1.0260 ?
    H(104) .7308 .0630 .8908 ?
    H(105) .7507 .1862 .6871 ?
    H(106) .5113 .3822 .6186 ?
    H(221) .4932 .4963 .8322 ?
    H(222) .3505 .6017 .9261 ?
    H(223) .5300 .6395 .8512 ?
    H(231) .5609 .8075 .5892 ?
    H(232) .4240 .8044 .5258 ?
    H(233) .5627 .6366 .5869 ?
    H(311) .0454 1.0209 .6793 ?
    H(312) .2206 1.0602 .5933 ?
    H(313) .0984 1.1543 .6985 ?
    H(411) .4601 .9814 .6712 ?
    H(412) .4524 .8924 .8158 ?
    H(413) .3358 1.0812 .7728 ?
    H(511) .0386 .8911 .8893 ?
    H(512) .0948 1.0299 .8971 ?
    H(513) .2115 .8411 .9402 ?
    H(3) .3463 .5834 .5442 ?
    H(4) .1890 .3606 .6221 ?
    H(5) .0159 .3548 .8576 ?
    H(6) .0707 .5749 .9201 ?
    H(7) .0974 .8732 .5467 ?
    H(8) .0484 .6536 .4808 ?
    H(9) -.1618 .5173 .6745 ?
    H(10) -.2326 .6466 .8585 ?
    H(11) -.0737 .8655 .7804 ?
    H(12) -.2171 .8306 .6281 ?