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#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/03/8100357.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_8100357
loop_
_publ_author_name
'Engering, Josef'
'Jansen, Martin'
_publ_section_title
;
Crystal structure of di(N-lithiummethylamino)bis(dimethylamino)silane, 
Si(NLiCH₃)₂(N(CH₃)₂)₂
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              153
_journal_page_last               154
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         Si(NLiCH~3~)~2~(N(CH~3~)~2~)~2~
_chemical_formula_structural     'Si(NLiCH3)2 (N(CH3)2)2'
_chemical_formula_sum            'C12 H36 Li4 N8 Si2'
_chemical_formula_weight         376.43
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 117.88(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.468(4)
_cell_length_b                   12.870(3)
_cell_length_c                   20.568(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4555.4(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.098
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100357
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.36463(5) 0.08144(7) 0.15744(5) 0.0430(3) Uani 1 8 f d . . .
Si2 Si 0.52367(5) -0.26924(7) 0.37585(5) 0.0433(3) Uani 1 8 f d . . .
N1 N 0.37907(17) 0.1951(2) 0.21095(17) 0.0534(8) Uani 1 8 f d . . .
N4 N 0.36173(15) -0.0248(2) 0.20495(15) 0.0446(7) Uani 1 8 f d . . .
N3 N 0.44687(15) 0.0635(2) 0.14905(14) 0.0438(7) Uani 1 8 f d . . .
N2 N 0.28348(18) 0.1034(2) 0.07417(17) 0.0593(9) Uani 1 8 f d . . .
N5 N 0.46438(16) -0.1642(2) 0.34608(15) 0.0441(7) Uani 1 8 f d . . .
N6 N 0.58653(15) -0.2501(2) 0.34120(16) 0.0444(7) Uani 1 8 f d . . .
N7 N 0.47209(17) -0.3844(2) 0.33429(17) 0.0524(8) Uani 1 8 f d . . .
N8 N 0.56799(18) -0.2897(3) 0.46927(17) 0.0612(9) Uani 1 8 f d . . .
C11 C 0.3826(3) 0.2954(3) 0.1797(3) 0.0850(14) Uani 1 8 f d . . .
H11A H 0.3325 0.3281 0.1592 0.127 Uiso 1 8 f calc R . .
H11B H 0.3975 0.2853 0.1417 0.127 Uiso 1 8 f calc R . .
H11C H 0.4202 0.3389 0.2175 0.127 Uiso 1 8 f calc R . .
C12 C 0.3455(3) 0.2065(4) 0.2611(3) 0.0773(13) Uani 1 8 f d . . .
H12A H 0.2921 0.2274 0.2337 0.116 Uiso 1 8 f calc R . .
H12B H 0.3739 0.2583 0.2974 0.116 Uiso 1 8 f calc R . .
H12C H 0.3485 0.1414 0.2850 0.116 Uiso 1 8 f calc R . .
C21 C 0.2170(2) 0.1651(4) 0.0625(3) 0.0783(13) Uani 1 8 f d . . .
H21A H 0.1800 0.1646 0.0112 0.117 Uiso 1 8 f calc R . .
H21B H 0.2332 0.2353 0.0780 0.117 Uiso 1 8 f calc R . .
H21C H 0.1935 0.1367 0.0905 0.117 Uiso 1 8 f calc R . .
C22 C 0.2643(3) 0.0306(4) 0.0141(3) 0.1028(19) Uani 1 8 f d . . .
H22A H 0.2179 0.0532 -0.0282 0.154 Uiso 1 8 f calc R . .
H22B H 0.2560 -0.0371 0.0287 0.154 Uiso 1 8 f calc R . .
H22C H 0.3064 0.0277 0.0021 0.154 Uiso 1 8 f calc R . .
C31 C 0.4574(3) 0.1191(4) 0.0919(3) 0.0768(13) Uani 1 8 f d . . .
H31A H 0.4333 0.0804 0.0468 0.115 Uiso 1 8 f calc R . .
H31B H 0.5119 0.1266 0.1071 0.115 Uiso 1 8 f calc R . .
H31C H 0.4338 0.1865 0.0844 0.115 Uiso 1 8 f calc R . .
C41 C 0.2857(2) -0.0531(3) 0.2000(2) 0.0655(11) Uani 1 8 f d . . .
H41A H 0.2916 -0.1140 0.2292 0.098 Uiso 1 8 f calc R . .
H41B H 0.2491 -0.0671 0.1497 0.098 Uiso 1 8 f calc R . .
H41C H 0.2670 0.0033 0.2179 0.098 Uiso 1 8 f calc R . .
C51 C 0.4211(2) -0.1371(3) 0.3868(2) 0.0655(11) Uani 1 8 f d . . .
H51A H 0.3897 -0.0767 0.3651 0.098 Uiso 1 8 f calc R . .
H51B H 0.4572 -0.1229 0.4373 0.098 Uiso 1 8 f calc R . .
H51C H 0.3883 -0.1942 0.3845 0.098 Uiso 1 8 f calc R . .
C61 C 0.6623(2) -0.3039(4) 0.3734(3) 0.0874(16) Uani 1 8 f d . . .
H61A H 0.6997 -0.2643 0.4142 0.131 Uiso 1 8 f calc R . .
H61B H 0.6795 -0.3110 0.3369 0.131 Uiso 1 8 f calc R . .
H61C H 0.6569 -0.3716 0.3902 0.131 Uiso 1 8 f calc R . .
C71 C 0.3908(3) -0.3999(4) 0.3177(3) 0.0830(14) Uani 1 8 f d . . .
H71A H 0.3888 -0.4223 0.3614 0.125 Uiso 1 8 f calc R . .
H71B H 0.3675 -0.4519 0.2802 0.125 Uiso 1 8 f calc R . .
H71C H 0.3628 -0.3358 0.3008 0.125 Uiso 1 8 f calc R . .
C72 C 0.5144(3) -0.4838(3) 0.3540(3) 0.0796(13) Uani 1 8 f d . . .
H72A H 0.5073 -0.5167 0.3923 0.119 Uiso 1 8 f calc R . .
H72B H 0.5687 -0.4712 0.3710 0.119 Uiso 1 8 f calc R . .
H72C H 0.4948 -0.5281 0.3116 0.119 Uiso 1 8 f calc R . .
C81 C 0.6229(3) -0.2144(4) 0.5185(3) 0.0983(16) Uani 1 8 f d U . .
H81A H 0.6423 -0.2374 0.5684 0.147 Uiso 1 8 f calc R . .
H81B H 0.5976 -0.1484 0.5124 0.147 Uiso 1 8 f calc R . .
H81C H 0.6654 -0.2074 0.5074 0.147 Uiso 1 8 f calc R . .
C82 C 0.5392(3) -0.3553(4) 0.5081(3) 0.0880(15) Uani 1 8 f d . . .
H82A H 0.5745 -0.3531 0.5598 0.132 Uiso 1 8 f calc R . .
H82B H 0.5349 -0.4255 0.4907 0.132 Uiso 1 8 f calc R . .
H82C H 0.4890 -0.3311 0.4995 0.132 Uiso 1 8 f calc R . .
Li1 Li 0.3987(3) -0.1729(4) 0.2367(3) 0.0457(13) Uani 1 8 f d . . .
Li2 Li 0.5000 0.1487(6) 0.2500 0.0506(19) Uani 1 4 e d S . .
Li3 Li 0.5000 -0.3343(6) 0.2500 0.0513(19) Uani 1 4 e d S . .
Li4 Li 0.4228(3) -0.0935(4) 0.1441(3) 0.0504(14) Uani 1 8 f d . . .
Li5 Li 0.4514(3) -0.0151(4) 0.3089(3) 0.0487(13) Uani 1 8 f d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 N4 1.697(3) . ?
Si1 N3 1.705(3) . ?
Si1 N2 1.726(3) . ?
Si1 N1 1.772(3) . ?
Si2 N5 1.695(3) . ?
Si2 N6 1.698(3) . ?
Si2 N8 1.719(3) . ?
Si2 N7 1.770(3) . ?
N1 C11 1.458(5) . ?
N1 C12 1.463(5) . ?
N1 Li2 2.185(4) . ?
N4 C41 1.482(4) . ?
N4 Li1 2.035(6) . ?
N4 Li5 2.035(6) . ?
N4 Li4 2.271(6) . ?
N3 C31 1.470(5) . ?
N3 Li5 2.023(6) 2_655 ?
N3 Li4 2.066(6) . ?
N3 Li2 2.139(5) . ?
N2 C21 1.440(5) . ?
N2 C22 1.453(5) . ?
N5 C51 1.482(4) . ?
N5 Li1 2.005(6) . ?
N5 Li5 2.037(6) . ?
N5 Li4 2.296(6) 2_655 ?
N6 C61 1.477(5) . ?
N6 Li1 2.015(6) 2_655 ?
N6 Li4 2.058(6) 2_655 ?
N6 Li3 2.139(5) . ?
N7 C71 1.469(5) . ?
N7 C72 1.472(5) . ?
N7 Li3 2.144(4) . ?
N8 C82 1.443(5) . ?
N8 C81 1.448(6) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
Li1 N6 2.015(6) 2_655 ?
Li1 Li4 2.393(8) . ?
Li1 Li5 2.441(8) . ?
Li1 Li3 2.787(8) . ?
Li1 Li4 3.340(8) 2_655 ?
Li2 N3 2.139(5) 2_655 ?
Li2 N1 2.185(4) 2_655 ?
Li2 Li5 2.807(8) 2_655 ?
Li2 Li5 2.807(8) . ?
Li3 N6 2.139(5) 2_655 ?
Li3 N7 2.144(4) 2_655 ?
Li3 Li1 2.787(8) 2_655 ?
Li4 N6 2.058(6) 2_655 ?
Li4 N5 2.296(6) 2_655 ?
Li4 Li5 2.394(8) 2_655 ?
Li4 Li5 3.325(8) . ?
Li4 Li1 3.340(8) 2_655 ?
Li5 N3 2.023(6) 2_655 ?
Li5 Li4 2.394(8) 2_655 ?
