#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:46:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179814 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/10/7011036.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_7011036
loop_
_publ_author_name
'Jian-Feng Li'
'Lin-Hong Weng'
'Xue-Hong Wei'
'Dian-Sheng Liu'
_publ_section_title
;
 Synthesis and structures of novel chiral lithium amidinates and mono-
 and di-lithium (1R,2R)-(−)-1,2-(NHSiMe3)2C6H10
;
_journal_issue                   7
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              1401
_journal_page_last               1405
_journal_paper_doi               10.1039/b106992f
_journal_year                    2002
_chemical_formula_sum            'C24 H56 Li4 N4 Si4'
_chemical_formula_weight         540.85
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           144
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_atom_sites_solution_hydrogens
;
DIFMAP & GEOM (H atoms of SiMe3 were located by geom and rest were found 
from difmap
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   10.5111(14)
_cell_length_b                   10.5111(14)
_cell_length_c                   27.891(5)
_cell_measurement_reflns_used    885
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.208
_cell_measurement_theta_min      2.672
_cell_volume                     2668.6(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            11141
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.19
_diffrn_standards_decay_%        2.45
_exptl_absorpt_coefficient_mu    0.184
_exptl_absorpt_correction_T_max  0.9468
_exptl_absorpt_correction_T_min  0.9383
_exptl_crystal_density_diffrn    1.010
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.222
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.049
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.03(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     405
_refine_ls_number_reflns         6280
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0675P)²+1.7060P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1440
_refine_ls_wR_factor_ref         0.1536
_reflns_number_gt                5037
_reflns_number_total             6280
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b106992f.txt
_cod_data_source_block           compound3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' 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_cell_volume        2668.7(7)
_cod_original_sg_symbol_H-M      'P3(1)   '
_cod_database_code               7011036
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
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 0.4244(8) 0.0414(8) 0.7143(3) 0.0463(18) Uani 1 1 d . . .
Li2 Li 0.2730(8) 0.1432(9) 0.6673(3) 0.0474(18) Uani 1 1 d . . .
Li3 Li 0.1665(7) -0.0894(8) 0.7041(2) 0.0383(16) Uani 1 1 d . . .
Li4 Li 0.3113(8) 0.1626(8) 0.7507(3) 0.0431(17) Uani 1 1 d . . .
N1 N 0.4760(4) 0.2547(4) 0.69877(12) 0.0380(8) Uani 1 1 d . . .
N2 N 0.3248(4) -0.0189(4) 0.64967(12) 0.0412(8) Uani 1 1 d . . .
C1 C 0.5516(5) 0.2275(5) 0.65837(16) 0.0424(10) Uani 1 1 d . . .
C2 C 0.6574(6) 0.3655(6) 0.62944(19) 0.0530(12) Uani 1 1 d . . .
C3 C 0.7398(7) 0.3333(8) 0.5910(2) 0.0778(18) Uani 1 1 d . . .
C4 C 0.6366(7) 0.2090(7) 0.55802(19) 0.0698(16) Uani 1 1 d . . .
C5 C 0.5310(7) 0.0751(7) 0.58668(19) 0.0544(13) Uani 1 1 d . . .
C6 C 0.4417(5) 0.1078(5) 0.62348(15) 0.0382(9) Uani 1 1 d . . .
H1 H 0.620(6) 0.195(6) 0.6697(19) 0.063(15) Uiso 1 1 d . . .
H2A H 0.606(5) 0.396(5) 0.6139(17) 0.038(13) Uiso 1 1 d . . .
H2B H 0.708(5) 0.456(5) 0.6545(17) 0.050(13) Uiso 1 1 d . . .
H3A H 0.805(5) 0.432(5) 0.5730(17) 0.045(12) Uiso 1 1 d . . .
H3B H 0.829(5) 0.321(5) 0.6049(17) 0.047(13) Uiso 1 1 d . . .
H4A H 0.701(6) 0.170(6) 0.534(2) 0.077(17) Uiso 1 1 d . . .
H4B H 0.562(5) 0.242(5) 0.5385(17) 0.056(14) Uiso 1 1 d . . .
H5A H 0.577(4) 0.028(4) 0.6038(12) 0.009(8) Uiso 1 1 d . . .
H5B H 0.486(5) 0.013(5) 0.5686(16) 0.035(14) Uiso 1 1 d . . .
H6 H 0.389(5) 0.154(5) 0.5962(15) 0.042(11) Uiso 1 1 d . . .
Si1 Si 0.56683(15) 0.41166(14) 0.73132(5) 0.0480(3) Uani 1 1 d . . .
C7 C 0.5900(9) 0.5830(7) 0.7040(3) 0.093(2) Uani 1 1 d . . .
H7A H 0.6467 0.6040 0.6751 0.139 Uiso 1 1 calc R . .
H7B H 0.6400 0.6629 0.7261 0.139 Uiso 1 1 calc R . .
H7C H 0.4953 0.5707 0.6966 0.139 Uiso 1 1 calc R . .
C8 C 0.4538(7) 0.3830(7) 0.7879(2) 0.0777(18) Uani 1 1 d . . .
H8A H 0.4366 0.2946 0.8036 0.117 Uiso 1 1 calc R . .
H8B H 0.3615 0.3749 0.7794 0.117 Uiso 1 1 calc R . .
H8C H 0.5065 0.4651 0.8090 0.117 Uiso 1 1 calc R . .
C9 C 0.7501(7) 0.4500(7) 0.7534(2) 0.0745(17) Uani 1 1 d . . .
H9A H 0.8135 0.4658 0.7265 0.112 Uiso 1 1 calc R . .
H9B H 0.7389 0.3677 0.7717 0.112 Uiso 1 1 calc R . .
H9C H 0.7922 0.5361 0.7732 0.112 Uiso 1 1 calc R . .
Si2 Si 0.22647(16) -0.18239(15) 0.62108(5) 0.0537(4) Uani 1 1 d . . .
C10 C 0.3203(10) -0.2920(8) 0.6138(3) 0.101(2) Uani 1 1 d . . .
H10A H 0.4059 -0.2388 0.5941 0.151 Uiso 1 1 calc R . .
H10B H 0.2544 -0.3842 0.5989 0.151 Uiso 1 1 calc R . .
H10C H 0.3489 -0.3094 0.6447 0.151 Uiso 1 1 calc R . .
C11 C 0.1503(8) -0.1738(9) 0.5618(3) 0.097(2) Uani 1 1 d . . .
H11A H 0.2294 -0.1149 0.5402 0.145 Uiso 1 1 calc R . .
H11B H 0.0890 -0.1308 0.5655 0.145 Uiso 1 1 calc R . .
H11C H 0.0932 -0.2712 0.5490 0.145 Uiso 1 1 calc R . .
C12 C 0.0608(7) -0.3015(7) 0.6608(3) 0.086(2) Uani 1 1 d . . .
H12A H 0.0941 -0.3101 0.6921 0.129 Uiso 1 1 calc R . .
H12B H 0.0046 -0.3974 0.6468 0.129 Uiso 1 1 calc R . .
H12C H 0.0006 -0.2570 0.6635 0.129 Uiso 1 1 calc R . .
N3 N 0.1161(4) 0.0748(4) 0.71932(13) 0.0407(8) Uani 1 1 d . . .
N4 N 0.2660(4) -0.0474(4) 0.76830(12) 0.0367(8) Uani 1 1 d . . .
C13 C 0.0374(5) -0.0312(5) 0.75865(16) 0.0412(10) Uani 1 1 d . . .
C14 C -0.0741(7) -0.0077(8) 0.7864(2) 0.0634(15) Uani 1 1 d . . .
C15 C -0.1568(7) -0.1269(9) 0.8235(2) 0.0735(19) Uani 1 1 d . . .
C16 C -0.0527(7) -0.1433(8) 0.8567(2) 0.0651(16) Uani 1 1 d . . .
C17 C 0.0579(6) -0.1656(6) 0.82935(18) 0.0529(12) Uani 1 1 d . . .
C18 C 0.1468(5) -0.0418(5) 0.79396(15) 0.0392(10) Uani 1 1 d . . .
H13 H -0.020(5) -0.131(5) 0.7473(16) 0.042(12) Uiso 1 1 d . . .
H14A H -0.046(8) 0.071(8) 0.801(3) 0.09(2) Uiso 1 1 d . . .
H14B H -0.154(7) -0.024(6) 0.759(2) 0.078(17) Uiso 1 1 d . . .
H15A H -0.235(6) -0.237(6) 0.8030(19) 0.062(14) Uiso 1 1 d . . .
H15B H -0.203(6) -0.115(6) 0.838(2) 0.057(18) Uiso 1 1 d . . .
H16A H 0.004(6) -0.055(7) 0.881(2) 0.086(19) Uiso 1 1 d . . .
H16B H -0.097(5) -0.203(5) 0.8787(18) 0.041(13) Uiso 1 1 d . . .
H17A H 0.130(4) -0.195(4) 0.8546(14) 0.032(10) Uiso 1 1 d . . .
H17B H 0.014(4) -0.262(4) 0.8099(14) 0.025(9) Uiso 1 1 d . . .
H18 H 0.196(4) 0.057(4) 0.8138(13) 0.022(9) Uiso 1 1 d . . .
Si3 Si 0.02530(15) 0.14233(16) 0.68662(5) 0.0513(3) Uani 1 1 d . . .
C19 C 0.1441(6) 0.2393(6) 0.6324(2) 0.0647(15) Uani 1 1 d . . .
H19A H 0.1641 0.1723 0.6151 0.097 Uiso 1 1 calc R . .
H19B H 0.2349 0.3220 0.6429 0.097 Uiso 1 1 calc R . .
H19C H 0.0933 0.2726 0.6119 0.097 Uiso 1 1 calc R . .
C20 C -0.1544(6) 0.0003(7) 0.6612(2) 0.0771(18) Uani 1 1 d . . .
H20A H -0.1424 -0.0744 0.6455 0.116 Uiso 1 1 calc R . .
H20B H -0.1881 0.0453 0.6384 0.116 Uiso 1 1 calc R . .
H20C H -0.2251 -0.0431 0.6865 0.116 Uiso 1 1 calc R . .
C21 C 0.2776(9) -0.3150(7) 0.8029(2) 0.090(2) Uani 1 1 d . . .
H21A H 0.1901 -0.3518 0.8219 0.135 Uiso 1 1 calc R . .
H21B H 0.3447 -0.3394 0.8180 0.135 Uiso 1 1 calc R . .
H21C H 0.2528 -0.3585 0.7715 0.135 Uiso 1 1 calc R . .
Si4 Si 0.36637(15) -0.10966(16) 0.79737(5) 0.0520(4) Uani 1 1 d . . .
C22 C 0.4429(8) -0.0198(8) 0.8577(2) 0.087(2) Uani 1 1 d . . .
H22A H 0.3633 -0.0426 0.8793 0.131 Uiso 1 1 calc R . .
H22B H 0.5007 0.0847 0.8536 0.131 Uiso 1 1 calc R . .
H22C H 0.5034 -0.0562 0.8705 0.131 Uiso 1 1 calc R . .
C23 C 0.5357(7) -0.0562(9) 0.7587(2) 0.086(2) Uani 1 1 d . . .
H23A H 0.5053 -0.0982 0.7273 0.129 Uiso 1 1 calc R . .
H23B H 0.5943 -0.0924 0.7732 0.129 Uiso 1 1 calc R . .
H23C H 0.5925 0.0488 0.7561 0.129 Uiso 1 1 calc R . .
C26 C -0.0010(9) 0.2885(8) 0.7168(3) 0.095(2) Uani 1 1 d . . .
H26A H -0.0611 0.2480 0.7448 0.142 Uiso 1 1 calc R . .
H26B H -0.0481 0.3226 0.6950 0.142 Uiso 1 1 calc R . .
H26C H 0.0929 0.3692 0.7260 0.142 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N2 Li1 N1 88.1(3) . . ?
N2 Li1 N4 109.3(4) . . ?
N1 Li1 N4 110.7(4) . . ?
N2 Li1 C23 130.4(4) . . ?
N1 Li1 C23 133.5(4) . . ?
N4 Li1 C23 83.1(3) . . ?
N2 Li1 C1 69.9(3) . . ?
N1 Li1 C1 38.94(19) . . ?
N4 Li1 C1 148.5(4) . . ?
C23 Li1 C1 122.3(4) . . ?
N2 Li1 Li4 103.4(4) . . ?
N1 Li1 Li4 55.7(3) . . ?
N4 Li1 Li4 55.0(3) . . ?
C23 Li1 Li4 121.4(4) . . ?
C1 Li1 Li4 93.9(3) . . ?
N2 Li1 Li3 56.4(3) . . ?
N1 Li1 Li3 102.0(4) . . ?
N4 Li1 Li3 53.2(3) . . ?
C23 Li1 Li3 120.2(4) . . ?
C1 Li1 Li3 114.7(4) . . ?
Li4 Li1 Li3 68.1(3) . . ?
N2 Li1 C6 34.30(18) . . ?
N1 Li1 C6 64.0(2) . . ?
N4 Li1 C6 138.9(4) . . ?
C23 Li1 C6 131.9(4) . . ?
C1 Li1 C6 36.08(18) . . ?
Li4 Li1 C6 105.1(3) . . ?
Li3 Li1 C6 86.8(3) . . ?
N2 Li1 Li2 50.7(2) . . ?
N1 Li1 Li2 49.3(2) . . ?
N4 Li1 Li2 91.8(3) . . ?
C23 Li1 Li2 174.9(4) . . ?
C1 Li1 Li2 62.7(3) . . ?
Li4 Li1 Li2 55.5(3) . . ?
Li3 Li1 Li2 55.5(3) . . ?
C6 Li1 Li2 52.4(2) . . ?
N2 Li1 Si4 130.7(4) . . ?
N1 Li1 Si4 132.5(4) . . ?
N4 Li1 Si4 39.01(16) . . ?
C23 Li1 Si4 44.1(2) . . ?
C1 Li1 Si4 159.0(4) . . ?
Li4 Li1 Si4 85.5(3) . . ?
Li3 Li1 Si4 84.6(3) . . ?
C6 Li1 Si4 162.8(3) . . ?
Li2 Li1 Si4 130.8(3) . . ?
N3 Li2 N1 108.9(4) . . ?
N3 Li2 N2 112.0(4) . . ?
N1 Li2 N2 86.9(3) . . ?
N3 Li2 C19 84.5(3) . . ?
N1 Li2 C19 127.6(4) . . ?
N2 Li2 C19 135.9(4) . . ?
N3 Li2 C6 149.6(4) . . ?
N1 Li2 C6 70.0(3) . . ?
N2 Li2 C6 38.54(19) . . ?
C19 Li2 C6 121.1(4) . . ?
N3 Li2 Li4 53.1(3) . . ?
N1 Li2 Li4 56.1(3) . . ?
N2 Li2 Li4 101.5(4) . . ?
C19 Li2 Li4 119.9(4) . . ?
C6 Li2 Li4 114.9(4) . . ?
N3 Li2 Li3 56.1(3) . . ?
N1 Li2 Li3 103.0(4) . . ?
N2 Li2 Li3 55.8(3) . . ?
C19 Li2 Li3 124.6(4) . . ?
C6 Li2 Li3 93.8(3) . . ?
Li4 Li2 Li3 68.3(3) . . ?
N3 Li2 C1 139.3(4) . . ?
N1 Li2 C1 34.60(18) . . ?
N2 Li2 C1 63.2(2) . . ?
C19 Li2 C1 128.7(4) . . ?
C6 Li2 C1 36.03(18) . . ?
Li4 Li2 C1 87.2(3) . . ?
Li3 Li2 C1 105.3(3) . . ?
N3 Li2 Si3 40.11(17) . . ?
N1 Li2 Si3 130.8(3) . . ?
N2 Li2 Si3 134.4(4) . . ?
C19 Li2 Si3 44.54(19) . . ?
C6 Li2 Si3 158.3(4) . . ?
Li4 Li2 Si3 85.7(3) . . ?
Li3 Li2 Si3 87.2(3) . . ?
C1 Li2 Si3 162.1(3) . . ?
N3 Li2 Li1 92.7(3) . . ?
N1 Li2 Li1 50.1(3) . . ?
N2 Li2 Li1 48.5(3) . . ?
C19 Li2 Li1 175.6(4) . . ?
C6 Li2 Li1 62.6(3) . . ?
Li4 Li2 Li1 55.8(3) . . ?
Li3 Li2 Li1 55.8(3) . . ?
C1 Li2 Li1 52.4(2) . . ?
Si3 Li2 Li1 132.8(4) . . ?
N4 Li3 N3 87.5(3) . . ?
N4 Li3 N2 109.5(3) . . ?
N3 Li3 N2 109.9(4) . . ?
N4 Li3 C12 129.3(4) . . ?
N3 Li3 C12 135.8(4) . . ?
N2 Li3 C12 82.8(3) . . ?
N4 Li3 C13 70.4(2) . . ?
N3 Li3 C13 39.00(19) . . ?
N2 Li3 C13 148.1(4) . . ?
C12 Li3 C13 122.9(4) . . ?
N4 Li3 Li2 103.6(3) . . ?
N3 Li3 Li2 54.2(3) . . ?
N2 Li3 Li2 55.7(3) . . ?
C12 Li3 Li2 122.1(4) . . ?
C13 Li3 Li2 92.8(3) . . ?
N4 Li3 Li1 56.3(3) . . ?
N3 Li3 Li1 100.7(3) . . ?
N2 Li3 Li1 53.5(3) . . ?
C12 Li3 Li1 119.3(4) . . ?
C13 Li3 Li1 114.8(3) . . ?
Li2 Li3 Li1 68.7(3) . . ?
N4 Li3 C18 34.50(17) . . ?
N3 Li3 C18 64.2(2) . . ?
N2 Li3 C18 139.5(3) . . ?
C12 Li3 C18 131.0(4) . . ?
C13 Li3 C18 36.60(17) . . ?
Li2 Li3 C18 105.3(3) . . ?
Li1 Li3 C18 87.1(3) . . ?
N4 Li3 Li4 50.6(2) . . ?
N3 Li3 Li4 47.8(2) . . ?
N2 Li3 Li4 92.5(3) . . ?
C12 Li3 Li4 175.0(4) . . ?
C13 Li3 Li4 62.1(3) . . ?
Li2 Li3 Li4 55.8(3) . . ?
Li1 Li3 Li4 55.9(3) . . ?
C18 Li3 Li4 52.5(2) . . ?
N4 Li3 Si2 130.7(3) . . ?
N3 Li3 Si2 132.4(3) . . ?
N2 Li3 Si2 38.84(15) . . ?
C12 Li3 Si2 44.02(19) . . ?
C13 Li3 Si2 158.5(3) . . ?
Li2 Li3 Si2 85.8(3) . . ?
Li1 Li3 Si2 84.7(3) . . ?
C18 Li3 Si2 162.7(3) . . ?
Li4 Li3 Si2 131.4(3) . . ?
N3 Li4 N4 88.6(3) . . ?
N3 Li4 N1 109.5(4) . . ?
N4 Li4 N1 110.7(4) . . ?
N3 Li4 C8 132.4(4) . . ?
N4 Li4 C8 131.2(4) . . ?
N1 Li4 C8 82.7(3) . . ?
N3 Li4 C18 71.3(3) . . ?
N4 Li4 C18 38.68(19) . . ?
N1 Li4 C18 148.7(4) . . ?
C8 Li4 C18 120.8(4) . . ?
N3 Li4 Li2 55.3(3) . . ?
N4 Li4 Li2 101.7(4) . . ?
N1 Li4 Li2 54.5(3) . . ?
C8 Li4 Li2 122.3(4) . . ?
C18 Li4 Li2 114.8(4) . . ?
N3 Li4 Li1 104.0(4) . . ?
N4 Li4 Li1 55.7(3) . . ?
N1 Li4 Li1 55.1(3) . . ?
C8 Li4 Li1 119.4(4) . . ?
C18 Li4 Li1 93.9(3) . . ?
Li2 Li4 Li1 68.8(3) . . ?
N3 Li4 C13 35.12(19) . . ?
N4 Li4 C13 64.3(2) . . ?
N1 Li4 C13 140.1(4) . . ?
C8 Li4 C13 132.1(4) . . ?
C18 Li4 C13 36.75(19) . . ?
Li2 Li4 C13 86.6(3) . . ?
Li1 Li4 C13 106.0(3) . . ?
N3 Li4 Li3 51.2(2) . . ?
N4 Li4 Li3 48.6(2) . . ?
N1 Li4 Li3 92.9(3) . . ?
C8 Li4 Li3 175.2(4) . . ?
C18 Li4 Li3 62.4(3) . . ?
Li2 Li4 Li3 55.9(3) . . ?
Li1 Li4 Li3 56.0(3) . . ?
C13 Li4 Li3 52.7(2) . . ?
N3 Li4 Si1 131.1(3) . . ?
N4 Li4 Si1 131.8(3) . . ?
N1 Li4 Si1 38.83(16) . . ?
C8 Li4 Si1 43.9(2) . . ?
C18 Li4 Si1 157.3(3) . . ?
Li2 Li4 Si1 86.0(3) . . ?
Li1 Li4 Si1 85.0(3) . . ?
C13 Li4 Si1 163.5(3) . . ?
Li3 Li4 Si1 131.8(3) . . ?
C1 N1 Si1 119.8(3) . . ?
C1 N1 Li2 94.0(3) . . ?
Si1 N1 Li2 134.8(3) . . ?
C1 N1 Li1 80.0(3) . . ?
Si1 N1 Li1 130.9(3) . . ?
Li2 N1 Li1 80.6(3) . . ?
C1 N1 Li4 146.7(4) . . ?
Si1 N1 Li4 90.7(2) . . ?
Li2 N1 Li4 69.4(3) . . ?
Li1 N1 Li4 69.2(3) . . ?
C6 N2 Si2 119.5(3) . . ?
C6 N2 Li1 95.2(3) . . ?
Si2 N2 Li1 134.0(3) . . ?
C6 N2 Li2 79.6(3) . . ?
Si2 N2 Li2 131.4(3) . . ?
Li1 N2 Li2 80.8(3) . . ?
C6 N2 Li3 146.4(3) . . ?
Si2 N2 Li3 90.5(2) . . ?
Li1 N2 Li3 70.1(3) . . ?
Li2 N2 Li3 68.5(3) . . ?
N1 C1 C2 114.7(4) . . ?
N1 C1 C6 112.2(3) . . ?
C2 C1 C6 109.2(4) . . ?
N1 C1 Li1 61.1(3) . . ?
C2 C1 Li1 168.8(4) . . ?
C6 C1 Li1 81.8(3) . . ?
N1 C1 Li2 51.5(3) . . ?
C2 C1 Li2 121.8(4) . . ?
C6 C1 Li2 62.0(3) . . ?
Li1 C1 Li2 64.9(3) . . ?
C3 C2 C1 112.5(5) . . ?
C2 C3 C4 112.1(5) . . ?
C5 C4 C3 110.8(5) . . ?
C4 C5 C6 112.9(5) . . ?
N2 C6 C5 116.9(4) . . ?
N2 C6 C1 111.5(3) . . ?
C5 C6 C1 108.0(4) . . ?
N2 C6 Li2 61.9(3) . . ?
C5 C6 Li2 168.9(4) . . ?
C1 C6 Li2 81.9(3) . . ?
N2 C6 Li1 50.5(3) . . ?
C5 C6 Li1 123.8(4) . . ?
C1 C6 Li1 62.1(3) . . ?
Li2 C6 Li1 65.0(3) . . ?
N1 Si1 C7 117.4(3) . . ?
N1 Si1 C9 113.9(2) . . ?
C7 Si1 C9 107.8(3) . . ?
N1 Si1 C8 106.6(2) . . ?
C7 Si1 C8 105.2(3) . . ?
C9 Si1 C8 104.8(3) . . ?
N1 Si1 Li4 50.44(19) . . ?
C7 Si1 Li4 127.3(3) . . ?
C9 Si1 Li4 124.1(3) . . ?
C8 Si1 Li4 56.2(2) . . ?
Si1 C8 Li4 80.0(3) . . ?
N2 Si2 C11 115.3(3) . . ?
N2 Si2 C10 115.7(3) . . ?
C11 Si2 C10 107.9(4) . . ?
N2 Si2 C12 106.6(2) . . ?
C11 Si2 C12 105.9(4) . . ?
C10 Si2 C12 104.4(4) . . ?
N2 Si2 Li3 50.69(19) . . ?
C11 Si2 Li3 124.0(3) . . ?
C10 Si2 Li3 127.3(3) . . ?
C12 Si2 Li3 56.0(2) . . ?
Si2 C12 Li3 80.0(3) . . ?
C13 N3 Si3 119.2(3) . . ?
C13 N3 Li4 94.7(3) . . ?
Si3 N3 Li4 134.8(3) . . ?
C13 N3 Li2 147.1(4) . . ?
Si3 N3 Li2 89.7(3) . . ?
Li4 N3 Li2 71.6(3) . . ?
C13 N3 Li3 78.9(3) . . ?
Si3 N3 Li3 131.3(3) . . ?
Li4 N3 Li3 81.0(3) . . ?
Li2 N3 Li3 69.6(3) . . ?
C18 N4 Si4 119.2(3) . . ?
C18 N4 Li3 94.7(3) . . ?
Si4 N4 Li3 134.1(3) . . ?
C18 N4 Li4 79.6(3) . . ?
Si4 N4 Li4 131.9(3) . . ?
Li3 N4 Li4 80.8(3) . . ?
C18 N4 Li1 147.0(3) . . ?
Si4 N4 Li1 90.4(3) . . ?
Li3 N4 Li1 70.5(3) . . ?
Li4 N4 Li1 69.2(3) . . ?
N3 C13 C14 116.0(4) . . ?
N3 C13 C18 111.4(3) . . ?
C14 C13 C18 110.2(4) . . ?
N3 C13 Li3 62.1(3) . . ?
C14 C13 Li3 167.5(4) . . ?
C18 C13 Li3 81.1(3) . . ?
N3 C13 Li4 50.2(2) . . ?
C14 C13 Li4 124.2(4) . . ?
C18 C13 Li4 62.5(3) . . ?
Li3 C13 Li4 65.2(3) . . ?
C15 C14 C13 112.5(5) . . ?
C16 C15 C14 111.4(5) . . ?
C17 C16 C15 111.6(5) . . ?
C16 C17 C18 112.8(5) . . ?
N4 C18 C17 116.9(4) . . ?
N4 C18 C13 111.7(3) . . ?
C17 C18 C13 108.1(4) . . ?
N4 C18 Li4 61.7(3) . . ?
C17 C18 Li4 170.1(4) . . ?
C13 C18 Li4 80.8(3) . . ?
N4 C18 Li3 50.8(2) . . ?
C17 C18 Li3 122.5(3) . . ?
C13 C18 Li3 62.3(3) . . ?
Li4 C18 Li3 65.1(3) . . ?
N3 Si3 C20 115.0(2) . . ?
N3 Si3 C26 116.0(3) . . ?
C20 Si3 C26 108.6(3) . . ?
N3 Si3 C19 107.1(2) . . ?
C20 Si3 C19 104.9(3) . . ?
C26 Si3 C19 104.0(3) . . ?
N3 Si3 Li2 50.2(2) . . ?
C20 Si3 Li2 121.6(3) . . ?
C26 Si3 Li2 129.0(3) . . ?
C19 Si3 Li2 57.0(2) . . ?
Si3 C19 Li2 78.4(3) . . ?
N4 Si4 C21 115.7(3) . . ?
N4 Si4 C22 114.9(3) . . ?
C21 Si4 C22 110.0(3) . . ?
N4 Si4 C23 106.5(2) . . ?
C21 Si4 C23 103.8(3) . . ?
C22 Si4 C23 104.7(3) . . ?
N4 Si4 Li1 50.6(2) . . ?
C21 Si4 Li1 125.5(3) . . ?
C22 Si4 Li1 123.5(3) . . ?
C23 Si4 Li1 55.9(2) . . ?
Si4 C23 Li1 80.0(3) . . ?
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 N2 2.021(9) . ?
Li1 N1 2.072(8) . ?
Li1 N4 2.087(8) . ?
Li1 C23 2.271(9) . ?
Li1 C1 2.330(9) . ?
Li1 Li4 2.362(11) . ?
Li1 Li3 2.365(10) . ?
Li1 C6 2.609(8) . ?
Li1 Li2 2.664(11) . ?
Li1 Si4 2.701(8) . ?
Li2 N3 2.039(9) . ?
Li2 N1 2.048(8) . ?
Li2 N2 2.090(8) . ?
Li2 C19 2.273(9) . ?
Li2 C6 2.331(8) . ?
Li2 Li4 2.354(10) . ?
Li2 Li3 2.355(11) . ?
Li2 C1 2.613(9) . ?
Li2 Si3 2.654(8) . ?
Li3 N4 2.009(7) . ?
Li3 N3 2.087(8) . ?
Li3 N2 2.094(8) . ?
Li3 C12 2.277(9) . ?
Li3 C13 2.317(8) . ?
Li3 C18 2.585(8) . ?
Li3 Li4 2.645(10) . ?
Li3 Si2 2.706(7) . ?
Li4 N3 1.984(8) . ?
Li4 N4 2.071(8) . ?
Li4 N1 2.087(8) . ?
Li4 C8 2.283(9) . ?
Li4 C18 2.312(8) . ?
Li4 C13 2.574(9) . ?
Li4 Si1 2.707(7) . ?
N1 C1 1.487(5) . ?
N1 Si1 1.698(4) . ?
N2 C6 1.477(5) . ?
N2 Si2 1.698(4) . ?
C1 C2 1.543(7) . ?
C1 C6 1.552(6) . ?
C2 C3 1.519(8) . ?
C3 C4 1.521(10) . ?
C4 C5 1.513(8) . ?
C5 C6 1.542(7) . ?
Si1 C7 1.856(6) . ?
Si1 C9 1.865(6) . ?
Si1 C8 1.906(6) . ?
Si2 C11 1.859(7) . ?
Si2 C10 1.865(7) . ?
Si2 C12 1.910(6) . ?
N3 C13 1.486(6) . ?
N3 Si3 1.710(4) . ?
N4 C18 1.469(5) . ?
N4 Si4 1.700(4) . ?
C13 C14 1.524(7) . ?
C13 C18 1.560(6) . ?
C14 C15 1.520(9) . ?
C15 C16 1.508(9) . ?
C16 C17 1.504(8) . ?
C17 C18 1.525(6) . ?
Si3 C20 1.866(6) . ?
Si3 C26 1.890(6) . ?
Si3 C19 1.900(6) . ?
C21 Si4 1.881(6) . ?
Si4 C22 1.899(6) . ?
Si4 C23 1.910(6) . ?
