#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003370.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_2003370
_journal_name_full     'Acta Crystallographica'
_journal_year          1995
_journal_volume    	C51
_journal_page_first    	651
_journal_page_last    	654
_publ_section_title    	
;
Steric Effects in Heteroboranes. V.
1-Ph-2-Me~3~Si-1,2-closo-C~2~B~10~H~10~
;
_chemical_formula_sum    	'C11 H24 B10 Si1'
_chemical_formula_weight    	292.51
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    'x,1/2-y,z'
    '-x,-y,-z'
    '-x,1/2+y,-z'
_symmetry_space_group_name_H-M    	'P 21/m'
_cell_length_a    	8.931(2)
_cell_length_b    	11.303(6)
_cell_length_c    	9.143(2)
_cell_angle_alpha    	90.0
_cell_angle_beta    	103.47(2)
_cell_angle_gamma    	90.0
_cell_volume    	897.5(6)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.082
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'Mo K\a'
_diffrn_radiation_wavelength    	0.71069
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	11
_cell_measurement_theta_max    	12
_exptl_absorpt_coefficient_mu    	0.11
_cell_measurement_temperature    	293(1)
_exptl_crystal_description    	'Plate'
_exptl_crystal_size_max    	0.4
_exptl_crystal_size_mid    	0.25
_exptl_crystal_size_min    	0.15
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'Colourless'
_chemical_compound_source    	
;Slow diffusion of water into a methanol solution at 277 K
;
_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    	3375
_reflns_number_total    	1666
_reflns_number_observed    	1442
_reflns_observed_criterion    	F>=2.0\s(F)
_diffrn_reflns_av_R_equivalents    	0.0128
_diffrn_reflns_theta_max    	25
_diffrn_reflns_limit_h_min    	-10
_diffrn_reflns_limit_h_max    	10
_diffrn_reflns_limit_k_min    	-13
_diffrn_reflns_limit_k_max    	13
_diffrn_reflns_limit_l_min    	0
_diffrn_reflns_limit_l_max    	10
_diffrn_standards_number    	2
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	480
_diffrn_standards_decay_%    	0.9
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.0643
_refine_ls_wR_factor_obs    	0.0892
_refine_ls_goodness_of_fit_obs    	1.341
_refine_ls_number_reflns    	1442
_refine_ls_number_parameters    	122
_refine_ls_hydrogen_treatment    	'H-atom treatment: see text'
_refine_ls_weighting_scheme    	'w=1/[\s^2^(F) + 0.001314F^2^]'
_refine_ls_shift/esd_max    	0.001
_refine_diff_density_max    	'0.43(near Si)'
_refine_diff_density_min    	-0.25
_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
    C(1) -.3575(4) .25000 -.0839(4) .035(2)
    C(2) -.1623(4) .25000 -.0630(4) .033(2)
    B(3) -.2542(4) .3758(3) -.0224(4) .0418(18)
    B(4) -.4067(4) .3288(3) .0575(4) .048(2)
    B(7) -.0790(4) .3288(3) .0948(4) .046(2)
    B(8) -.2312(4) .3772(4) .1753(4) .056(2)
    B(9) -.3232(6) .25000 .2270(6) .061(4)
    B(12) -.1216(7) .25000 .2481(6) .061(4)
    C(11) -.4626(4) .25000 -.2398(5) .041(2)
    C(12) -.5158(4) .3560(3) -.3099(4) .060(2)
    C(13) -.6163(4) .3560(5) -.4495(5) .084(3)
    C(14) -.6660(6) .25000 -.5207(7) .100(5)
    Si(1) -.06582(12) .25000 -.23160(12) .0380(7)
    C(21) .1443(5) .25000 -.1478(6) .070(3)
    C(22) -.1222(4) .3846(3) -.3476(3) .057(2)
    H(102) -.4782 .4390 -.2550 ?
    H(103) -.6565 .4388 -.5036 ?
    H(104) -.7451 .2500 -.6299 ?
    H(211) .2051 .2500 -.2377 ?
    H(212) .1772 .3280 -.0807 ?
    H(221) -.0772 .3795 -.4473 ?
    H(222) -.0760 .4618 -.2832 ?
    H(223) -.2462 .3908 -.3797 ?
    H(3) -.2646 .4438 -.1125 ?
    H(4) -.5307 .3496 .0421 ?
    H(7) .0443 .3490 .1076 ?
    H(8) -.2209 .4479 .2615 ?
    H(9) -.3795 .2500 .3225 ?
    H(12) -.0410 .2500 .3601 ?