#------------------------------------------------------------------------------ #$Date: 2012-02-03 17:16:24 +0000 (Fri, 03 Feb 2012) $ #$Revision: 32112 $ #$URL: svn://www.crystallography.net/cod/cif/2/00/19/2001993.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2001993 loop_ _publ_author_name 'Auner, N.' 'Herdtweck, E.' 'Penzenstadler, E.' _publ_section_title ;Structure of 1,3-di-tert-butyl-2,4-dichloro-2,4-bis[1-(trimethylsilyl)vinyl]-1,3-diaza-2,4-disilacyclobutane ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 359 _journal_page_last 360 _journal_volume 49 _journal_year 1993 _chemical_formula_sum 'C18 H40 Cl2 N2 Si4' _chemical_formula_weight 467.8 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 104.57(4) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 10.580(5) _cell_length_b 9.803(4) _cell_length_c 13.610(7) _cell_volume 1366.2(11) _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 _exptl_absorpt_coefficient_mu 0.42 _exptl_crystal_density_diffrn 1.137 _exptl_crystal_F_000 504 _[local]_cod_data_source_file sh1006.cif _[local]_cod_data_source_block sh1006_structure_1_of_1 _cod_original_cell_volume 1366 _cod_database_code 2001993 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cl .20045(6) .02811(7) .38781(4) .0432(2) Si1 .10089(6) .06370(7) .49858(5) .0280(2) Si2 .34506(7) .28754(8) .57585(5) .0375(2) N .0641(2) -.0851(2) .55220(10) .0301(6) C1 .1912(2) .1986(2) .5825(2) .0327(7) C2 .1315(3) .2330(3) .6541(2) .0604(9) C3 .4782(3) .1635(3) .5811(3) .0672(11) C4 .3158(3) .3898(3) .4578(2) .0764(11) C5 .3966(3) .4048(3) .6864(2) .0569(10) C6 .1410(2) -.1835(3) .6250(2) .0428(8) C7 .1633(4) -.1265(4) .7333(2) .0796(11) C8 .2719(3) -.2044(3) .6014(3) .0732(11) C9 .0678(3) -.3159(3) .6195(3) .0675(11) H(21) .050(2) .198(3) .6581(19) ? H(22) .166(2) .291(3) .7016(18) ? H(31) .492(3) .118(3) .638(2) ? H(32) .549(3) .216(3) .586(2) ? H(33) .415(3) .352(3) .746(2) ? H(41) .390(3) .428(3) .452(2) ? H(42) .244(3) .447(3) .446(2) ? H(43) .285(3) .329(4) .404(2) ? H(51) .331(3) .473(3) .686(2) ? H(52) .477(3) .453(3) .683(2) ? H(53) .457(3) .112(3) .526(2) ? H(71) .207(3) -.184(3) .779(2) ? H(72) .219(3) -.044(3) .737(2) ? H(73) .073(3) -.118(4) .749(3) ? H(81) .328(3) -.116(3) .6106(19) ? H(82) .333(3) -.269(3) .651(2) ? H(83) .245(3) -.254(3) .532(2) ? H(91) .069(2) -.348(3) .5499(17) ? H(92) .114(2) -.377(3) .6644(18) ? H(93) -.018(3) -.299(3) .635(2) ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Cl Si1 2.0740(10) Si1 N 1.719(2) Si1 C1 1.849(2) Si2 C1 1.869(2) Si2 C3 1.849(3) Si2 C4 1.853(3) Si2 C5 1.863(3) N C6 1.473(3) C1 C2 1.331(4) C6 C7 1.538(4) C6 C8 1.512(4) C6 C9 1.504(4) C2 H(21) .94(2) C2 H(22) .87(3) C3 H(31) .87(3) C3 H(32) .90(3) C3 H(53) .88(3) C4 H(41) .89(3) C4 H(42) .93(3) C4 H(43) .94(3) C5 H(33) .94(3) C5 H(51) .96(3) C5 H(52) .98(3) C7 H(71) .88(3) C7 H(72) .99(3) C7 H(73) 1.03(3) C8 H(81) 1.04(3) C8 H(82) 1.03(3) C8 H(83) 1.04(3) C9 H(91) 1.00(2) C9 H(92) .91(3) C9 H(93) 1.00(3) loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle Cl Si1 N 112.13(7) Cl Si1 C1 106.95(8) N Si1 C1 118.78(9) Si1 N C6 134.08(16) Si1 C1 Si2 128.65(12) Si1 C1 C2 111.53(19) Si2 C1 C2 119.81(19)