#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003315.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_2003315
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  51
_journal_year          1995
_journal_page_first    	713
_journal_page_last    	715
_publ_section_title
;
Structure of a Branched Polysilane
;
_chemical_formula_moiety    	'C22 H66 Si10'
_chemical_formula_sum    	'C22 H66 Si10'
_chemical_formula_weight    	611.62
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '-x,-y,-z'
_symmetry_space_group_name_H-M    	'P -1'
_cell_length_a    	9.138(2)
_cell_length_b    	9.172(3)
_cell_length_c    	13.598(6)
_cell_angle_alpha    	103.34(3)
_cell_angle_beta    	92.01(3)
_cell_angle_gamma    	114.30(2)
_cell_volume    	1000(1)
_cell_formula_units_Z    	1
_exptl_crystal_density_diffrn    	'1.016'
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71069
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	19.2
_cell_measurement_theta_max    	23.7
_exptl_absorpt_coefficient_mu    	0.33
_cell_measurement_temperature    	153
_exptl_crystal_description    	'translucent prismatic'
_exptl_crystal_size_max    	0.47
_exptl_crystal_size_mid    	0.45
_exptl_crystal_size_min    	0.20
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'off white'
_chemical_compound_source
; from (Me~3~Si)~3~SiLi and Cl-SiMe~2~-SiMe~2~-Cl
;
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\w/2\q'
_exptl_absorpt_correction_type    	'analytical'
_exptl_absorpt_correction_T_min    	0.86
_exptl_absorpt_correction_T_max    	0.91
_diffrn_reflns_number    	4079
_reflns_number_total    	3907
_reflns_number_observed    	3388
_reflns_observed_criterion    	I>3\s(I)
_diffrn_reflns_av_R_equivalents    	0.027
_diffrn_reflns_theta_max    	26.0
_diffrn_reflns_limit_h_min    	-11
_diffrn_reflns_limit_h_max    	11
_diffrn_reflns_limit_k_min    	-11
_diffrn_reflns_limit_k_max    	11
_diffrn_reflns_limit_l_min    	-16
_diffrn_reflns_limit_l_max    	0
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	90
_diffrn_standards_decay_%    	none
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.024
_refine_ls_wR_factor_obs    	0.033
_refine_ls_goodness_of_fit_obs    	1.62
_refine_ls_number_reflns    	3388
_refine_ls_number_parameters    	278
_refine_ls_hydrogen_treatment    	'refall'
_refine_ls_weighting_scheme    	'w = 4F~o~^2^/\s^2^(F~o~^2^)'
_refine_ls_shift/esd_max    	0.01
_refine_diff_density_max    	0.38
_refine_diff_density_min    	-0.25
_refine_ls_extinction_method    	'secondary'
_refine_ls_extinction_coef    	0.26726E-5
_atom_type_scat_source    	'IntTabIV'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_B_iso_or_equiv
    Si1 .19566(4) .65391(4) .21768(3) 1.31(1)
    Si2 .42230(4) .87138(5) .18621(3) 1.73(1)
    Si3 .05154(4) .76677(5) .32646(3) 1.75(1)
    Si4 .02440(4) .45092(4) .06946(3) 1.53(1)
    Si5 .29317(5) .51649(5) .31088(3) 1.85(1)
    C21 .3591(2) 1.0206(2) .1447(1) 2.81(5)
    C22 .5281(2) .7885(2) .0883(1) 2.81(5)
    C23 .5747(2) .9919(2) .3049(1) 2.92(5)
    C31 -.0789(2) .8337(2) .2565(1) 2.56(5)
    C32 -.0830(2) .6129(2) .3917(1) 3.05(5)
    C33 .1959(2) .9546(2) .4278(1) 2.85(5)
    C41 .1150(2) .3009(2) .0238(1) 2.73(5)
    C42 -.1737(2) .3359(2) .1143(1) 2.52(5)
    C51 .3738(2) .6445(2) .4469(1) 2.96(5)
    C52 .4634(2) .4799(2) .2546(2) 3.02(6)
    C53 .1286(2) .3119(2) .3149(1) 2.82(5)
    H21A .319(3) 1.074(3) .198(2) 4.7(5)
    H21B .278(3) .972(3) .084(2) 4.6(5)
    H21C .445(3) 1.101(3) .133(2) 4.3(5)
    H22A .562(3) .712(3) .109(2) 5.6(5)
    H22B .463(3) .730(3) .028(2) 5.0(5)
    H22C .630(4) .870(3) .081(2) 7.3(7)
    H23A .608(2) .923(2) .330(2) 4.0(4)
    H23B .524(2) 1.038(2) .357(2) 4.0(4)
    H23C .661(3) 1.080(3) .291(2) 5.3(5)
    H31A -.165(2) .738(2) .209(1) 3.5(4)
    H31B -.140(2) .877(2) .303(2) 4.6(5)
    H31C -.009(3) .917(3) .224(2) 4.5(5)
    H32A -.024(2) .591(2) .438(2) 4.3(5)
    H32B -.134(3) .666(3) .431(2) 5.4(5)
    H32C -.160(3) .517(3) .344(2) 4.6(5)
    H33A .250(3) 1.040(3) .398(2) 4.8(5)
    H33B .267(3) .933(2) .467(2) 4.7(5)
    H33C .140(3) .996(3) .469(2) 4.6(5)
    H41A .127(2) .256(2) .075(2) 4.0(4)
    H41B .214(3) .356(3) .004(2) 4.5(5)
    H41C .046(2) .215(3) -.032(2) 4.3(4)
    H42A -.229(2) .407(3) .134(2) 4.3(5)
    H42B -.249(3) .239(3) .059(2) 4.7(5)
    H42C -.157(2) .300(2) .169(2) 4.3(4)
    H51A .419(3) .592(3) .478(2) 6.1(6)
    H51B .288(3) .661(3) .481(2) 4.8(5)
    H51C .461(3) .750(3) .449(2) 4.9(5)
    H52A .557(3) .584(3) .263(2) 4.2(4)
    H52B .492(3) .423(3) .292(2) 5.2(5)
    H52C .434(2) .417(3) .183(2) 4.3(5)
    H53A .087(2) .233(2) .249(2) 3.8(4)
    H53B .038(2) .323(2) .342(1) 3.0(4)
    H53C .168(3) .256(3) .356(2) 5.3(5)
_cod_database_code 2003315