#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:44:31 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180153 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/49/7104911.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_7104911
loop_
_publ_author_name
'Clark, Natalie M'
'García-Alvarez, Pablo'
'Kennedy, Alan R'
'O'Hara, Charles T'
'Robertson, Gemma M'
_publ_section_title
;
 Reactions of (-)-sparteine with alkali metal HMDS complexes:
 conventional meets the unconventional.
;
_journal_issue                   39
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5835
_journal_page_last               5837
_journal_paper_doi               10.1039/b908722b
_journal_year                    2009
_chemical_absolute_configuration rmad
_chemical_formula_sum            'C21 H44 Li N3 Si2'
_chemical_formula_weight         401.71
_chemical_name_systematic
;
?
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.657(2)
_cell_angle_beta                 106.120(2)
_cell_angle_gamma                97.915(2)
_cell_formula_units_Z            1
_cell_length_a                   7.6371(3)
_cell_length_b                   9.1030(3)
_cell_length_c                   10.5163(4)
_cell_measurement_reflns_used    2862
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     628.71(4)
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15393
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    0.151
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.061
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             222
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.461
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.08(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         5224
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0928P)²+0.0447P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1318
_refine_ls_wR_factor_ref         0.1416
_reflns_number_gt                4570
_reflns_number_total             5224
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b908722B.txt
_cod_data_source_block           dvg08rem012
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7104911
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.0661(7) 0.6955(6) 0.4398(5) 0.0226(9) Uani 1 1 d . . .
N1 N 0.1547(3) 0.7674(3) 0.6471(2) 0.0212(5) Uani 1 1 d . . .
N2 N -0.1648(3) 0.5069(3) 0.2869(2) 0.0182(5) Uani 1 1 d . . .
N3 N 0.1719(3) 0.6875(3) 0.2792(2) 0.0187(5) Uani 1 1 d . . .
Si1 Si 0.26163(10) 0.65516(9) 0.72400(8) 0.0242(2) Uani 1 1 d . . .
Si2 Si 0.07730(9) 0.92715(8) 0.73009(7) 0.0226(2) Uani 1 1 d . . .
C1 C 0.0902(5) 0.4864(4) 0.7260(4) 0.0396(8) Uani 1 1 d . . .
H1A H -0.0013 0.5319 0.7670 0.059 Uiso 1 1 calc R . .
H1B H 0.1598 0.4382 0.7863 0.059 Uiso 1 1 calc R . .
H1C H 0.0231 0.4016 0.6258 0.059 Uiso 1 1 calc R . .
C2 C 0.4092(5) 0.5485(5) 0.6232(3) 0.0392(8) Uani 1 1 d . . .
H2A H 0.3260 0.4597 0.5286 0.059 Uiso 1 1 calc R . .
H2B H 0.4876 0.5028 0.6815 0.059 Uiso 1 1 calc R . .
H2C H 0.4909 0.6274 0.6070 0.059 Uiso 1 1 calc R . .
C3 C 0.4272(5) 0.7771(4) 0.9214(3) 0.0345(7) Uani 1 1 d . . .
H3A H 0.5303 0.8587 0.9266 0.052 Uiso 1 1 calc R . .
H3B H 0.4797 0.7026 0.9590 0.052 Uiso 1 1 calc R . .
H3C H 0.3570 0.8329 0.9807 0.052 Uiso 1 1 calc R . .
C4 C -0.0588(5) 0.8940(5) 0.8463(4) 0.0381(8) Uani 1 1 d . . .
H4A H -0.1635 0.7940 0.7872 0.057 Uiso 1 1 calc R . .
H4B H -0.1093 0.9881 0.8827 0.057 Uiso 1 1 calc R . .
H4C H 0.0257 0.8828 0.9293 0.057 Uiso 1 1 calc R . .
C5 C 0.2711(5) 1.1227(4) 0.8552(4) 0.0343(7) Uani 1 1 d . . .
H5A H 0.3527 1.1085 0.9376 0.051 Uiso 1 1 calc R . .
H5B H 0.2149 1.2126 0.8924 0.051 Uiso 1 1 calc R . .
H5C H 0.3464 1.1487 0.8008 0.051 Uiso 1 1 calc R . .
C6 C -0.0861(5) 0.9795(4) 0.5918(4) 0.0332(7) Uani 1 1 d . . .
H6A H -0.0145 1.0205 0.5420 0.050 Uiso 1 1 calc R . .
H6B H -0.1410 1.0642 0.6421 0.050 Uiso 1 1 calc R . .
H6C H -0.1877 0.8811 0.5197 0.050 Uiso 1 1 calc R . .
C7 C -0.2837(4) 0.4859(3) 0.3730(3) 0.0205(6) Uani 1 1 d . . .
H7A H -0.3507 0.5730 0.3890 0.025 Uiso 1 1 calc R . .
H7B H -0.1995 0.5018 0.4702 0.025 Uiso 1 1 calc R . .
C8 C -0.4301(4) 0.3193(4) 0.3021(3) 0.0248(6) Uani 1 1 d . . .
H8A H -0.4964 0.3128 0.3692 0.030 Uiso 1 1 calc R . .
H8B H -0.5251 0.3073 0.2105 0.030 Uiso 1 1 calc R . .
C9 C -0.3335(4) 0.1817(3) 0.2685(3) 0.0242(6) Uani 1 1 d . . .
H9A H -0.4293 0.0740 0.2180 0.029 Uiso 1 1 calc R . .
H9B H -0.2457 0.1880 0.3607 0.029 Uiso 1 1 calc R . .
C10 C -0.2241(4) 0.1988(3) 0.1709(3) 0.0224(6) Uani 1 1 d . . .
H10A H -0.3139 0.1847 0.0762 0.027 Uiso 1 1 calc R . .
H10B H -0.1577 0.1116 0.1508 0.027 Uiso 1 1 calc R . .
C11 C -0.0796(4) 0.3672(3) 0.2440(3) 0.0184(5) Uani 1 1 d . . .
C12 C 0.0352(4) 0.3820(3) 0.1476(3) 0.0207(6) Uani 1 1 d . . .
C13 C 0.2131(4) 0.5246(3) 0.2270(3) 0.0236(6) Uani 1 1 d . . .
H13A H 0.2951 0.5129 0.3120 0.028 Uiso 1 1 calc R . .
H13B H 0.2835 0.5198 0.1601 0.028 Uiso 1 1 calc R . .
C14 C 0.3500(4) 0.8166(4) 0.3413(3) 0.0247(6) Uani 1 1 d . . .
H14A H 0.4032 0.8082 0.2639 0.030 Uiso 1 1 calc R . .
H14B H 0.4427 0.8012 0.4191 0.030 Uiso 1 1 calc R . .
C15 C 0.3177(4) 0.9860(4) 0.4051(3) 0.0280(6) Uani 1 1 d . . .
H15A H 0.4384 1.0711 0.4431 0.034 Uiso 1 1 calc R . .
H15B H 0.2744 0.9976 0.4879 0.034 Uiso 1 1 calc R . .
C16 C 0.1697(4) 1.0116(4) 0.2887(4) 0.0306(7) Uani 1 1 d . . .
H16A H 0.1379 1.1156 0.3348 0.037 Uiso 1 1 calc R . .
H16B H 0.2215 1.0190 0.2141 0.037 Uiso 1 1 calc R . .
C17 C -0.0089(4) 0.8679(3) 0.2155(3) 0.0250(6) Uani 1 1 d . . .
H17A H -0.0702 0.8712 0.2876 0.030 Uiso 1 1 calc R . .
H17B H -0.0991 0.8800 0.1341 0.030 Uiso 1 1 calc R . .
C18 C 0.0344(4) 0.7033(3) 0.1562(3) 0.0208(6) Uani 1 1 d . . .
C19 C -0.1434(4) 0.5580(3) 0.0741(3) 0.0208(6) Uani 1 1 d . . .
C20 C -0.2680(4) 0.5377(3) 0.1616(3) 0.0196(5) Uani 1 1 d . . .
H20A H -0.3101 0.6383 0.1982 0.024 Uiso 1 1 calc R . .
H20B H -0.3819 0.4448 0.0964 0.024 Uiso 1 1 calc R . .
C21 C -0.0875(4) 0.3979(3) 0.0143(3) 0.0246(6) Uani 1 1 d . . .
H21A H -0.2014 0.3034 -0.0427 0.030 Uiso 1 1 calc R . .
H21B H -0.0157 0.4022 -0.0501 0.030 Uiso 1 1 calc R . .
H11 H 0.009(4) 0.378(3) 0.340(3) 0.017(6) Uiso 1 1 d . . .
H12 H 0.074(4) 0.281(4) 0.120(3) 0.020(7) Uiso 1 1 d . . .
H18 H 0.093(4) 0.709(3) 0.088(3) 0.011(7) Uiso 1 1 d . . .
H19 H -0.218(5) 0.580(5) -0.001(4) 0.039(10) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Li1 N3 139.1(3) . . ?
N1 Li1 N2 127.2(3) . . ?
N3 Li1 N2 89.9(2) . . ?
N1 Li1 C11 122.7(2) . . ?
N3 Li1 C11 78.43(17) . . ?
N2 Li1 C11 31.65(10) . . ?
N1 Li1 Si2 31.62(10) . . ?
N3 Li1 Si2 140.9(2) . . ?
N2 Li1 Si2 124.3(2) . . ?
C11 Li1 Si2 140.60(18) . . ?
N1 Li1 Si1 27.54(10) . . ?
N3 Li1 Si1 127.2(2) . . ?
N2 Li1 Si1 115.30(19) . . ?
C11 Li1 Si1 99.06(15) . . ?
Si2 Li1 Si1 58.90(8) . . ?
Si2 N1 Si1 126.51(14) . . ?
Si2 N1 Li1 111.72(19) . . ?
Si1 N1 Li1 120.83(19) . . ?
C20 N2 C11 113.3(2) . . ?
C20 N2 C7 112.3(2) . . ?
C11 N2 C7 110.7(2) . . ?
C20 N2 Li1 114.2(2) . . ?
C11 N2 Li1 102.1(2) . . ?
C7 N2 Li1 103.5(2) . . ?
C14 N3 C18 110.2(2) . . ?
C14 N3 C13 108.7(2) . . ?
C18 N3 C13 110.5(2) . . ?
C14 N3 Li1 110.1(2) . . ?
C18 N3 Li1 112.2(2) . . ?
C13 N3 Li1 105.0(2) . . ?
N1 Si1 C2 112.27(14) . . ?
N1 Si1 C1 113.37(14) . . ?
C2 Si1 C1 105.16(17) . . ?
N1 Si1 C3 114.55(14) . . ?
C2 Si1 C3 105.54(15) . . ?
C1 Si1 C3 105.12(16) . . ?
N1 Si1 Li1 31.62(12) . . ?
C2 Si1 Li1 85.71(13) . . ?
C1 Si1 Li1 106.71(14) . . ?
C3 Si1 Li1 141.94(14) . . ?
N1 Si2 C5 114.06(14) . . ?
N1 Si2 C4 114.65(14) . . ?
C5 Si2 C4 105.15(16) . . ?
N1 Si2 C6 111.14(13) . . ?
C5 Si2 C6 105.07(15) . . ?
C4 Si2 C6 105.96(15) . . ?
N1 Si2 Li1 36.66(12) . . ?
C5 Si2 Li1 123.99(15) . . ?
C4 Si2 Li1 129.34(15) . . ?
C6 Si2 Li1 74.54(13) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 C8 114.9(2) . . ?
N2 C7 H7A 108.5 . . ?
C8 C7 H7A 108.5 . . ?
N2 C7 H7B 108.5 . . ?
C8 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
C9 C8 C7 110.1(2) . . ?
C9 C8 H8A 109.6 . . ?
C7 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
C7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
C8 C9 C10 108.8(2) . . ?
C8 C9 H9A 109.9 . . ?
C10 C9 H9A 109.9 . . ?
C8 C9 H9B 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C9 C10 C11 111.1(2) . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C11 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
N2 C11 C10 113.4(2) . . ?
N2 C11 C12 111.4(2) . . ?
C10 C11 C12 111.0(2) . . ?
N2 C11 Li1 46.29(15) . . ?
C10 C11 Li1 154.1(2) . . ?
C12 C11 Li1 93.51(18) . . ?
N2 C11 H11 104.1(16) . . ?
C10 C11 H11 107.7(15) . . ?
C12 C11 H11 108.9(15) . . ?
Li1 C11 H11 70.2(16) . . ?
C13 C12 C21 108.7(2) . . ?
C13 C12 C11 114.2(2) . . ?
C21 C12 C11 110.5(2) . . ?
C13 C12 H12 107.8(18) . . ?
C21 C12 H12 111.6(18) . . ?
C11 C12 H12 104.0(18) . . ?
N3 C13 C12 112.9(2) . . ?
N3 C13 H13A 109.0 . . ?
C12 C13 H13A 109.0 . . ?
N3 C13 H13B 109.0 . . ?
C12 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
N3 C14 C15 110.8(2) . . ?
N3 C14 H14A 109.5 . . ?
C15 C14 H14A 109.5 . . ?
N3 C14 H14B 109.5 . . ?
C15 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
C14 C15 C16 110.9(2) . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C17 C16 C15 109.7(2) . . ?
C17 C16 H16A 109.7 . . ?
C15 C16 H16A 109.7 . . ?
C17 C16 H16B 109.7 . . ?
C15 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
C18 C17 C16 112.1(2) . . ?
C18 C17 H17A 109.2 . . ?
C16 C17 H17A 109.2 . . ?
C18 C17 H17B 109.2 . . ?
C16 C17 H17B 109.2 . . ?
H17A C17 H17B 107.9 . . ?
N3 C18 C17 108.7(2) . . ?
N3 C18 C19 112.2(2) . . ?
C17 C18 C19 113.1(2) . . ?
N3 C18 H18 109.6(16) . . ?
C17 C18 H18 104.5(17) . . ?
C19 C18 H18 108.5(17) . . ?
C21 C19 C20 107.8(2) . . ?
C21 C19 C18 109.7(2) . . ?
C20 C19 C18 116.4(2) . . ?
C21 C19 H19 112(2) . . ?
C20 C19 H19 106(2) . . ?
C18 C19 H19 105(2) . . ?
N2 C20 C19 111.4(2) . . ?
N2 C20 H20A 109.3 . . ?
C19 C20 H20A 109.3 . . ?
N2 C20 H20B 109.3 . . ?
C19 C20 H20B 109.3 . . ?
H20A C20 H20B 108.0 . . ?
C12 C21 C19 106.0(2) . . ?
C12 C21 H21A 110.5 . . ?
C19 C21 H21A 110.5 . . ?
C12 C21 H21B 110.5 . . ?
C19 C21 H21B 110.5 . . ?
H21A C21 H21B 108.7 . . ?
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
Li1 N1 1.910(5) . ?
Li1 N3 2.047(5) . ?
Li1 N2 2.048(5) . ?
Li1 C11 2.771(5) . ?
Li1 Si2 2.971(5) . ?
Li1 Si1 3.127(4) . ?
N1 Si2 1.677(2) . ?
N1 Si1 1.684(2) . ?
N2 C20 1.481(3) . ?
N2 C11 1.487(3) . ?
N2 C7 1.489(3) . ?
N3 C14 1.469(4) . ?
N3 C18 1.491(3) . ?
N3 C13 1.491(3) . ?
Si1 C2 1.882(3) . ?
Si1 C1 1.886(3) . ?
Si1 C3 1.896(3) . ?
Si2 C5 1.885(3) . ?
Si2 C4 1.886(3) . ?
Si2 C6 1.889(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.530(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.520(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.528(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.533(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.542(4) . ?
C11 H11 1.00(3) . ?
C12 C13 1.520(4) . ?
C12 C21 1.524(4) . ?
C12 H12 0.98(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.524(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.532(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.532(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.519(4) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.533(4) . ?
C18 H18 0.96(3) . ?
C19 C21 1.532(4) . ?
C19 C20 1.533(4) . ?
C19 H19 0.94(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 Li1 N1 Si2 112.7(4) . . . . ?
N2 Li1 N1 Si2 -96.7(3) . . . . ?
C11 Li1 N1 Si2 -135.2(2) . . . . ?
Si1 Li1 N1 Si2 -169.6(3) . . . . ?
N3 Li1 N1 Si1 -77.7(4) . . . . ?
N2 Li1 N1 Si1 72.9(4) . . . . ?
C11 Li1 N1 Si1 34.4(4) . . . . ?
Si2 Li1 N1 Si1 169.6(3) . . . . ?
N1 Li1 N2 C20 143.9(3) . . . . ?
N3 Li1 N2 C20 -54.9(2) . . . . ?
C11 Li1 N2 C20 -122.6(2) . . . . ?
Si2 Li1 N2 C20 104.8(2) . . . . ?
Si1 Li1 N2 C20 173.17(17) . . . . ?
N1 Li1 N2 C11 -93.5(3) . . . . ?
N3 Li1 N2 C11 67.7(2) . . . . ?
Si2 Li1 N2 C11 -132.5(2) . . . . ?
Si1 Li1 N2 C11 -64.2(2) . . . . ?
N1 Li1 N2 C7 21.5(4) . . . . ?
N3 Li1 N2 C7 -177.28(19) . . . . ?
C11 Li1 N2 C7 115.0(2) . . . . ?
Si2 Li1 N2 C7 -17.6(3) . . . . ?
Si1 Li1 N2 C7 50.8(2) . . . . ?
N1 Li1 N3 C14 -25.2(5) . . . . ?
N2 Li1 N3 C14 177.84(19) . . . . ?
C11 Li1 N3 C14 -152.44(19) . . . . ?
Si2 Li1 N3 C14 24.9(4) . . . . ?
Si1 Li1 N3 C14 -59.8(3) . . . . ?
N1 Li1 N3 C18 -148.3(4) . . . . ?
N2 Li1 N3 C18 54.7(2) . . . . ?
C11 Li1 N3 C18 84.46(19) . . . . ?
Si2 Li1 N3 C18 -98.2(3) . . . . ?
Si1 Li1 N3 C18 177.1(2) . . . . ?
N1 Li1 N3 C13 91.6(4) . . . . ?
N2 Li1 N3 C13 -65.3(2) . . . . ?
C11 Li1 N3 C13 -35.61(19) . . . . ?
Si2 Li1 N3 C13 141.7(3) . . . . ?
Si1 Li1 N3 C13 57.0(3) . . . . ?
Si2 N1 Si1 C2 -157.04(19) . . . . ?
Li1 N1 Si1 C2 35.0(3) . . . . ?
Si2 N1 Si1 C1 84.0(2) . . . . ?
Li1 N1 Si1 C1 -84.0(3) . . . . ?
Si2 N1 Si1 C3 -36.7(2) . . . . ?
Li1 N1 Si1 C3 155.4(2) . . . . ?
Si2 N1 Si1 Li1 168.0(4) . . . . ?
N3 Li1 Si1 N1 126.5(4) . . . . ?
N2 Li1 Si1 N1 -122.6(3) . . . . ?
C11 Li1 Si1 N1 -151.2(3) . . . . ?
Si2 Li1 Si1 N1 -6.34(19) . . . . ?
N1 Li1 Si1 C2 -147.8(3) . . . . ?
N3 Li1 Si1 C2 -21.3(3) . . . . ?
N2 Li1 Si1 C2 89.5(2) . . . . ?
C11 Li1 Si1 C2 60.95(18) . . . . ?
Si2 Li1 Si1 C2 -154.19(15) . . . . ?
N1 Li1 Si1 C1 107.6(3) . . . . ?
N3 Li1 Si1 C1 -125.9(3) . . . . ?
N2 Li1 Si1 C1 -15.0(2) . . . . ?
C11 Li1 Si1 C1 -43.60(19) . . . . ?
Si2 Li1 Si1 C1 101.26(14) . . . . ?
N1 Li1 Si1 C3 -38.0(3) . . . . ?
N3 Li1 Si1 C3 88.5(3) . . . . ?
N2 Li1 Si1 C3 -160.6(2) . . . . ?
C11 Li1 Si1 C3 170.83(18) . . . . ?
Si2 Li1 Si1 C3 -44.3(2) . . . . ?
Si1 N1 Si2 C5 75.9(2) . . . . ?
Li1 N1 Si2 C5 -115.2(2) . . . . ?
Si1 N1 Si2 C4 -45.4(2) . . . . ?
Li1 N1 Si2 C4 123.5(2) . . . . ?
Si1 N1 Si2 C6 -165.52(18) . . . . ?
Li1 N1 Si2 C6 3.4(3) . . . . ?
Si1 N1 Si2 Li1 -168.9(3) . . . . ?
N3 Li1 Si2 N1 -106.6(4) . . . . ?
N2 Li1 Si2 N1 106.7(3) . . . . ?
C11 Li1 Si2 N1 69.2(3) . . . . ?
Si1 Li1 Si2 N1 5.59(17) . . . . ?
N1 Li1 Si2 C5 85.3(2) . . . . ?
N3 Li1 Si2 C5 -21.4(4) . . . . ?
N2 Li1 Si2 C5 -168.0(2) . . . . ?
C11 Li1 Si2 C5 154.4(3) . . . . ?
Si1 Li1 Si2 C5 90.86(15) . . . . ?
N1 Li1 Si2 C4 -78.6(3) . . . . ?
N3 Li1 Si2 C4 174.8(3) . . . . ?
N2 Li1 Si2 C4 28.1(3) . . . . ?
C11 Li1 Si2 C4 -9.4(4) . . . . ?
Si1 Li1 Si2 C4 -72.98(18) . . . . ?
N1 Li1 Si2 C6 -176.7(2) . . . . ?
N3 Li1 Si2 C6 76.6(3) . . . . ?
N2 Li1 Si2 C6 -70.0(2) . . . . ?
C11 Li1 Si2 C6 -107.6(3) . . . . ?
Si1 Li1 Si2 C6 -171.15(14) . . . . ?
C20 N2 C7 C8 76.4(3) . . . . ?
C11 N2 C7 C8 -51.3(3) . . . . ?
Li1 N2 C7 C8 -160.0(2) . . . . ?
N2 C7 C8 C9 55.4(3) . . . . ?
C7 C8 C9 C10 -56.6(3) . . . . ?
C8 C9 C10 C11 57.4(3) . . . . ?
C20 N2 C11 C10 -76.4(3) . . . . ?
C7 N2 C11 C10 50.7(3) . . . . ?
Li1 N2 C11 C10 160.3(2) . . . . ?
C20 N2 C11 C12 49.7(3) . . . . ?
C7 N2 C11 C12 176.9(2) . . . . ?
Li1 N2 C11 C12 -73.5(2) . . . . ?
C20 N2 C11 Li1 123.2(3) . . . . ?
C7 N2 C11 Li1 -109.6(2) . . . . ?
C9 C10 C11 N2 -55.6(3) . . . . ?
C9 C10 C11 C12 178.1(2) . . . . ?
C9 C10 C11 Li1 -21.8(6) . . . . ?
N1 Li1 C11 N2 109.1(3) . . . . ?
N3 Li1 C11 N2 -109.2(2) . . . . ?
Si2 Li1 C11 N2 73.5(3) . . . . ?
Si1 Li1 C11 N2 124.5(2) . . . . ?
N1 Li1 C11 C10 64.2(6) . . . . ?
N3 Li1 C11 C10 -154.1(4) . . . . ?
N2 Li1 C11 C10 -44.9(5) . . . . ?
Si2 Li1 C11 C10 28.6(6) . . . . ?
Si1 Li1 C11 C10 79.6(5) . . . . ?
N1 Li1 C11 C12 -134.3(3) . . . . ?
N3 Li1 C11 C12 7.41(19) . . . . ?
N2 Li1 C11 C12 116.6(2) . . . . ?
Si2 Li1 C11 C12 -169.9(3) . . . . ?
Si1 Li1 C11 C12 -118.96(17) . . . . ?
N2 C11 C12 C13 67.6(3) . . . . ?
C10 C11 C12 C13 -165.0(2) . . . . ?
Li1 C11 C12 C13 23.6(2) . . . . ?
N2 C11 C12 C21 -55.3(3) . . . . ?
C10 C11 C12 C21 72.2(3) . . . . ?
Li1 C11 C12 C21 -99.3(2) . . . . ?
C14 N3 C13 C12 -174.6(2) . . . . ?
C18 N3 C13 C12 -53.6(3) . . . . ?
Li1 N3 C13 C12 67.6(3) . . . . ?
C21 C12 C13 N3 60.5(3) . . . . ?
C11 C12 C13 N3 -63.4(3) . . . . ?
C18 N3 C14 C15 62.3(3) . . . . ?
C13 N3 C14 C15 -176.5(2) . . . . ?
Li1 N3 C14 C15 -62.0(3) . . . . ?
N3 C14 C15 C16 -57.2(3) . . . . ?
C14 C15 C16 C17 51.9(3) . . . . ?
C15 C16 C17 C18 -53.5(3) . . . . ?
C14 N3 C18 C17 -62.0(3) . . . . ?
C13 N3 C18 C17 177.9(2) . . . . ?
Li1 N3 C18 C17 61.1(3) . . . . ?
C14 N3 C18 C19 172.2(2) . . . . ?
C13 N3 C18 C19 52.0(3) . . . . ?
Li1 N3 C18 C19 -64.8(3) . . . . ?
C16 C17 C18 N3 58.2(3) . . . . ?
C16 C17 C18 C19 -176.5(2) . . . . ?
N3 C18 C19 C21 -58.3(3) . . . . ?
C17 C18 C19 C21 178.3(2) . . . . ?
N3 C18 C19 C20 64.4(3) . . . . ?
C17 C18 C19 C20 -59.0(3) . . . . ?
C11 N2 C20 C19 -53.4(3) . . . . ?
C7 N2 C20 C19 -179.7(2) . . . . ?
Li1 N2 C20 C19 62.9(3) . . . . ?
C21 C19 C20 N2 61.2(3) . . . . ?
C18 C19 C20 N2 -62.5(3) . . . . ?
C13 C12 C21 C19 -63.2(3) . . . . ?
C11 C12 C21 C19 62.8(3) . . . . ?
C20 C19 C21 C12 -65.0(3) . . . . ?
C18 C19 C21 C12 62.6(3) . . . . ?
