#------------------------------------------------------------------------------ #$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: svn://www.crystallography.net/cod/cif/2/2005206.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_2005206 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1996 _journal_volume 52 _journal_page_first 1911 _journal_page_last 1913 _publ_section_title ; (Diethyl ether-O)[N-(2,6-diisopropylphenyl)-N-(trimethylsilyl)amido-N] (pyridine-N)lithium ; _chemical_formula_iupac '[Li (C15 H26 N Si)(C4 H10 O)(C5 H5 N)]' _chemical_formula_moiety ' C24 H41 Li1 N2 O1 Si1' _chemical_formula_sum ' C24 H41 Li1 N2 O1 Si1' _chemical_formula_weight 408.63 _symmetry_cell_setting Monoclinic loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,-z '-x+1/2,y+1/2,-z+1/2' x+1/2,-y+1/2,z+1/2 _symmetry_space_group_name_H-M 'P 21/n' _cell_length_a 12.556(6) _cell_length_b 14.408(7) _cell_length_c 14.996(8) _cell_angle_alpha 90 _cell_angle_beta 91.56(2) _cell_angle_gamma 90 _cell_volume 2712(2) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.001 _cell_measurement_temperature 298 loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Li1 1 .8527(7) .2335(7) .1426(5) .060(3) N1 1 .9937(3) .2351(3) .1946(2) .048(2) N2 1 .7135(3) .2006(3) .2049(3) .064(2) O1 1 .8083(3) .2610(3) .0198(2) .072(2) Si1 1 1.1015(1) .2634(1) .1378(1) .0620(5) C1 1 .9887(4) .2105(4) .2846(3) .044(3) C2 1 1.0013(4) .1162(4) .3117(3) .051(3) C3 1 .9856(5) .0924(4) .4002(4) .067(3) C4 1 .9581(5) .1562(5) .4618(4) .067(3) C5 1 .9472(4) .2480(5) .4376(4) .069(3) C6 1 .9626(4) .2764(4) .3507(3) .051(3) C7 1 .7093(5) .1678(5) .2876(4) .077(3) C8 1 .6147(7) .1460(5) .3269(4) .088(3) C9 1 .5216(6) .1600(6) .2791(5) .089(3) C10 1 .5256(5) .1935(5) .1953(6) .092(3) C11 1 .6214(5) .2130(4) .1606(4) .071(3) C12 1 .7808(6) .3492(6) -.0150(5) .103(4) C13 1 .7716(7) .4174(6) .0579(6) .121(4) C14 1 .8055(7) .1916(6) -.0469(5) .102(4) C15 1 .8244(8) .0985(6) -.0055(6) .125(4) C16 1 1.1117(6) .1965(6) .0320(5) .108(4) C17 1 1.1037(6) .3871(5) .1004(5) .094(3) C18 1 1.2280(4) .2441(7) .2026(5) .104(4) C21 1 1.0304(5) .0422(4) .2452(4) .067(2) C22 1 .9388(7) -.0227(5) .2248(5) .115(4) C23 1 1.1279(6) -.0139(6) .2768(5) .109(4) C61 1 .9513(5) .3774(4) .3277(4) .070(2) C62 1 .8458(6) .4179(5) .3495(6) .116(4) C63 1 1.0402(7) .4352(5) .3675(7) .130(5) H31 1 .9940(5) .0262(4) .4191(4) .0651 H41 1 .9460(5) .1375(5) .5249(4) .073 H51 1 .9287(4) .2954(5) .4834(4) .0684 H71 1 .7775(5) .1592(5) .3226(4) .0819 H81 1 .6123(7) .1185(5) .3880(4) .0894 H91 1 .4511(6) .1477(6) .3063(5) .0933 H101 1 .4581(5) .2039(5) .1597(6) .0953 H111 1 .6235(5) .2360(4) .0978(4) .0715 H121 1 .8363(6) .3701(6) -.0571(5) .1075 H122 1 .7100(6) .3464(6) -.0471(5) .1075 H131 1 .7526(7) .4799(6) .0334(6) .111 H132 1 .8422(7) .4208(6) .0901(6) .111 H133 1 .7159(7) .3970(6) .1002(6) .111 H141 1 .8635(7) .2042(6) -.0897(5) .1083 H142 1 .7352(7) .1910(6) -.0798(5) .1083 H151 1 .8245(8) .0491(6) -.0523(6) .1196 H152 1 .8948(8) .0990(6) .0274(6) .1196 H153 1 .7665(8) .0857(6) .0373(6) .1196 H161 1 1.1768(6) .2161(6) .0000(5) .1394 H162 1 1.1166(6) .1289(6) .0466(5) .1394 H163 1 1.0472(6) .2080(6) -.0070(5) .1394 H171 1 1.1702(6) .3990(5) .0671(5) .1352 H172 1 1.1013(6) .4294(5) .1532(5) .1352 H173 1 1.0402(6) .3987(5) .0603(5) .1352 H181 1 1.2898(4) .2626(7) .1659(5) .1432 H182 1 1.2276(4) .2825(7) .2582(5) .1432 H183 1 1.2344(4) .1770(7) .2189(5) .1432 H211 1 1.0498(5) .0774(4) .1905(4) .0708 H221 1 .9595(7) -.0705(5) .1801(5) .1188 H222 1 .9188(7) -.0541(5) .2814(5) .1188 H223 1 .8767(7) .0139(5) .2006(5) .1188 H231 1 1.1454(6) -.0608(6) .2303(5) .1103 H232 1 1.1901(6) .0285(6) .2870(5) .1103 H233 1 1.1114(6) -.0463(6) .3337(5) .1103 H611 1 .9536(5) .3805(4) .2612(4) .0659 H621 1 .8422(6) .4848(5) .3320(6) .1185 H622 1 .8367(6) .4122(5) .4153(6) .1185 H623 1 .7877(6) .3829(5) .3173(6) .1185 H631 1 1.0309(7) .5018(5) .3505(7) .1388 H632 1 1.1099(7) .4121(5) .3456(7) .1388 H633 1 1.0390(7) .4291(5) .4339(7) .1388