#------------------------------------------------------------------------------
#$Date: 2011-09-17 22:27:16 +0200 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003405.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_2003405
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  51
_journal_year          1995
_journal_page_first    	756
_journal_page_last    	758
_publ_section_title
;
Tris(p-tolylsilyl)amine
;
_chemical_formula_sum            'C21 H27 N Si3'
_[local]_cod_chemical_formula_sum_orig 'C21 H27 N1 Si3'
_chemical_formula_weight    	377.71
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_[local]_cod_cif_authors_sg_H-M  'P 21'
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-x,y+1/2,-z'
_cell_length_a    	9.710(1)
_cell_length_b    	7.386(1)
_cell_length_c    	15.236(1)
_cell_angle_alpha    	90
_cell_angle_beta    	90.67(1)
_cell_angle_gamma    	90
_cell_volume    	1092.6
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.148
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71073
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	15
_cell_measurement_theta_max    	19
_exptl_absorpt_coefficient_mu    	0.22
_cell_measurement_temperature    	193
_exptl_crystal_description    	'Needle'
_exptl_crystal_size_max    	0.45
_exptl_crystal_size_mid    	0.40
_exptl_crystal_size_min    	0.30
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'Colourless'
_chemical_compound_source    	?
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\q/2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	4776
_reflns_number_total    	4698
_reflns_number_observed    	4530
_reflns_observed_criterion    	F>4\s(F)
_diffrn_reflns_av_R_equivalents    	0.000
_diffrn_reflns_theta_max    	27
_diffrn_reflns_limit_h_min    	-12
_diffrn_reflns_limit_h_max    	12
_diffrn_reflns_limit_k_min    	-9
_diffrn_reflns_limit_k_max    	9
_diffrn_reflns_limit_l_min    	0
_diffrn_reflns_limit_l_max    	19
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	100
_diffrn_standards_interval_time    	?
_diffrn_standards_decay_%    	1.3
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.0280
_refine_ls_wR_factor_obs    	0.0304
_refine_ls_goodness_of_fit_obs    	0.411
_refine_ls_number_reflns    	4530
_refine_ls_number_parameters    	249
_refine_ls_hydrogen_treatment    	?
_refine_ls_weighting_scheme    	'unit'
_refine_ls_shift/esd_max    	0.000
_refine_diff_density_max    	0.31
_refine_diff_density_min    	-0.36
_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
    Si1 .78888(4) .00260 .37506(3) .031
    Si2 .85867(5) -.3144(1) .26074(3) .033
    Si3 .82527(6) .0552(1) .18173(4) .046
    N .8325(2) -.0834(2) .2736(1) .033
    C11 .5988(2) .0070(3) .3900(1) .026
    C12 .5078(2) -.0710(2) .3293(1) .029
    C13 .3668(2) -.0709(3) .3428(1) .030
    C14 .3123(2) .0048(3) .4181(1) .029
    C15 .4018(2) .0827(3) .4789(1) .030
    C16 .5425(2) .0849(3) .4648(1) .029
    C10 .1591(2) .0002(3) .4335(1) .042
    C21 1.0409(2) -.3935(2) .2632(1) .029
    C22 1.0970(2) -.4768(3) .3378(1) .033
    C23 1.2322(2) -.5372(3) .3395(1) .033
    C24 1.3164(2) -.5166(3) .2671(1) .031
    C25 1.2612(2) -.4364(3) .1923(1) .031
    C26 1.1257(2) -.3761(3) .1902(1) .031
    C20 1.4646(2) -.5794(3) .2705(2) .043
    C31 .9893(2) .0474(3) .1202(1) .033
    C32 1.1104(2) .1114(3) .1589(1) .040
    C33 1.2351(2) .0958(3) .1168(1) .043
    C34 1.2433(2) .0184(3) .0341(1) .039
    C35 1.1220(2) -.0430(3) -.0051(1) .037
    C36 .9974(2) -.0297(3) .0369(1) .036
    C30 1.3798(2) -.0003(4) -.0113(2) .062
    H1 .849(2) -.114(3) .444(1) .047(6)
    H2 .842(2) .185(4) .389(2) .070(8)
    H3 .789(2) -.392(3) .325(1) .048(6)
    H4 .801(3) -.356(4) .181(2) .068(8)
    H5 .711(2) .004(4) .122(1) .064(7)
    H6 .780(3) .227(4) .211(2) .088(9)
    H12 .54400 -.13410 .27730 .05
    H13 .30260 -.12700 .29880 .05
    H15 .37070 .14340 .53210 .05
    H16 .60460 .14440 .50740 .05
    H22 1.04460 -.48410 .39380 .05
    H23 1.27200 -.59540 .38900 .05
    H25 1.30960 -.43660 .13460 .05
    H26 1.09020 -.31480 .13870 .05
    H32 1.12350 .16430 .21970 .05
    H33 1.32210 .14190 .14050 .05
    H35 1.12360 -.07590 -.06300 .05
    H36 .90260 -.06930 .01250 .05
    H101 .13190 -.11580 .46020 .08
    H102 .1114(2) .0147(3) .3784(1) .08
    H103 .1349(2) .0975(3) .4721(1) .08
    H201 1.46840 -.69300 .30810 .08
    H202 1.5218(2) -.4869(3) .2961(2) .08
    H203 1.4958(2) -.6060(3) .2123(2) .08
    H301 1.45590 -.01160 .02480 .08
    H302 1.3925(2) .1052(4) -.0471(2) .08
    H303 1.3752(2) -.1058(4) -.0479(2) .08
_cod_database_code 2003405