#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2001978.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_2001978 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 1993 _journal_volume C49 _journal_page_first 331 _journal_page_last 333 loop_ _publ_author_name 'Fronczek, F.R.' 'Lickiss, P.D.' _chemical_formula_moiety ? _chemical_formula_sum 'C22 H54 Si6' _chemical_formula_weight 487.2 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _cell_length_a 9.0383(10) _cell_length_b 9.3596(9) _cell_length_c 11.855(3) _cell_angle_alpha 68.207(13) _cell_angle_beta 74.837(14) _cell_angle_gamma 59.858(9) _cell_volume 801.8(2) _cell_formula_units_Z 1 _exptl_crystal_density_diffrn 1.009 _exptl_crystal_density_meas ? _exptl_crystal_F_000 270 _exptl_absorpt_coefficient_mu 0.262 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Si1 .40973(5) .64216(5) .22215(3) Si2 .65915(5) .73653(4) .29251(4) Si3 .78498(5) .35262(5) .29180(4) C1 .52630(10) .51780(10) .44730(10) C2 .59230(10) .56070(10) .31790(10) C3 .2008(2) .7861(2) .2900(2) C4 .3768(2) .4641(2) .2147(2) C5 .4489(2) .7639(2) .0612(2) C6 .7650(2) .6907(2) .4255(2) C7 .8093(2) .7547(2) .1514(2) C8 .4713(2) .9549(2) .2771(2) C9 .8422(3) .3625(2) .1263(2) C10 .9818(2) .3011(2) .3531(2) C11 .7379(2) .1654(2) .3731(2) H3A .207(3) .864(3) .291(2) H3B .126(3) .819(3) .243(2) H3C .162(3) .723(3) .350(2) H4A .355(2) .397(2) .294(2) H4B .285(2) .509(2) .174(2) H4C .477(2) .387(2) .181(2) H5A .552(2) .700(2) .023(2) H5B .362(3) .792(2) .028(2) H5C .443(2) .859(2) .065(2) H6A .693(3) .702(3) .491(2) H6B .854(3) .596(3) .434(2) H6C .785(3) .767(2) .423(2) H7A .909(2) .662(2) .161(2) H7B .766(3) .774(2) .079(2) H7C .829(3) .842(2) .152(2) H8A .414(2) .995(2) .208(2) H8B .393(2) .965(2) .345(2) H8C .512(2) 1.030(2) .266(2) H9A .767(3) .356(2) .106(2) H9B .861(3) .444(2) .083(2) H9C .936(3) .258(2) .123(2) H10A 1.014(2) .383(2) .311(2) H10B .969(2) .297(2) .438(2) H10C 1.059(3) .214(2) .329(2) H11A .738(3) .140(3) .449(2) H11B .656(3) .166(3) .357(2) H11C .825(3) .076(2) .369(2)