#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/20/7022038.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_7022038
loop_
_publ_author_name
'Chapurina, Yulia'
'Guillot, Régis'
'Lyubov, Dmitrii'
'Trifonov, Alexander'
'Hannedouche, Jérôme'
'Schulz, Emmanuelle'
_publ_section_title
;
 LiCl-effect on asymmetric intramolecular hydroamination catalyzed by
 binaphthylamido yttrium complexes.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              507
_journal_page_last               520
_journal_paper_doi               10.1039/c2dt31265d
_journal_volume                  42
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C52 H60 Li4 N4 Si4 '
_chemical_formula_sum            'C52 H60 Li4 N4 Si4'
_chemical_formula_weight         881.16
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.3140(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.2936(7)
_cell_length_b                   10.2146(3)
_cell_length_c                   22.5327(7)
_cell_measurement_reflns_used    4268
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      32.57
_cell_measurement_theta_min      2.86
_cell_volume                     4994.6(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
;
'Ortep-3 for Windows (L. J. Farrugia, J. Appl. Cryst (1997), 30, 565)'
;
_computing_publication_material
;
'WINGX (Farrugia, L. J. (1999) J. Appl. Cryst., 32, 837-838)'
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.970
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            58845
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.57
_diffrn_reflns_theta_min         1.88
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'kappa X8 APEX II Bruker ICMMO'
_exptl_absorpt_coefficient_mu    0.157
_exptl_absorpt_correction_T_max  0.9950
_exptl_absorpt_correction_T_min  0.9742
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.172
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.665
_refine_diff_density_min         -0.789
_refine_diff_density_rms         0.082
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.04(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     589
_refine_ls_number_reflns         14912
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0441
_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)+(0.0842P)²+0.2869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1123
_refine_ls_wR_factor_ref         0.1149
_reflns_number_gt                13975
_reflns_number_total             14912
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31265d.txt
_cod_data_source_block           1113GuillotICMMO
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'C52 H60 Li4 N4 Si4 '
_cod_database_code               7022038
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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
Li4 Li 0.91264(14) 0.5413(3) 0.93602(13) 0.0201(5) Uani 1 1 d .
C1 C 0.97121(7) 0.11728(13) 0.40967(6) 0.0123(2) Uani 1 1 d .
C2 C 0.99028(7) 0.03308(13) 0.60822(6) 0.0120(2) Uani 1 1 d .
C3 C 0.99604(7) -0.11044(13) 0.38623(6) 0.0119(2) Uani 1 1 d .
C4 C 1.03157(7) -0.19658(13) 0.43380(6) 0.0130(2) Uani 1 1 d .
C5 C 1.01140(7) -0.33054(13) 0.42894(7) 0.0173(3) Uani 1 1 d .
H5 H 1.0327 -0.3886 0.4612 0.021 Uiso 1 1 calc R
C6 C 0.96223(7) -0.37585(14) 0.37880(8) 0.0207(3) Uani 1 1 d .
H6 H 0.9504 -0.4630 0.3780 0.025 Uiso 1 1 calc R
C7 C 0.92878(7) -0.29155(15) 0.32776(7) 0.0184(3) Uani 1 1 d .
C8 C 0.87993(8) -0.33720(17) 0.27283(9) 0.0255(3) Uani 1 1 d .
H8 H 0.8674 -0.4240 0.2708 0.031 Uiso 1 1 calc R
C9 C 0.85116(8) -0.25486(19) 0.22293(8) 0.0281(4) Uani 1 1 d .
H9 H 0.8205 -0.2868 0.1865 0.034 Uiso 1 1 calc R
C10 C 0.86793(8) -0.12235(18) 0.22681(7) 0.0239(3) Uani 1 1 d .
H10 H 0.8480 -0.0666 0.1930 0.029 Uiso 1 1 calc R
C11 C 0.91355(7) -0.07420(16) 0.28018(7) 0.0179(3) Uani 1 1 d .
H11 H 0.9234 0.0143 0.2824 0.022 Uiso 1 1 calc R
C12 C 0.94576(7) -0.15737(14) 0.33188(6) 0.0144(3) Uani 1 1 d .
C13 C 0.93923(7) 0.08280(14) 0.62239(6) 0.0134(2) Uani 1 1 d .
C14 C 0.90278(7) 0.00047(15) 0.64594(7) 0.0175(3) Uani 1 1 d .
H14 H 0.9108 -0.0889 0.6502 0.021 Uiso 1 1 calc R
C15 C 0.85645(8) 0.05104(17) 0.66232(7) 0.0216(3) Uani 1 1 d .
H15 H 0.8337 -0.0040 0.6782 0.026 Uiso 1 1 calc R
C16 C 0.84267(8) 0.18590(17) 0.65548(8) 0.0227(3) Uani 1 1 d .
H16 H 0.8111 0.2192 0.6670 0.027 Uiso 1 1 calc R
C17 C 0.87569(7) 0.26779(16) 0.63194(7) 0.0194(3) Uani 1 1 d .
H17 H 0.8660 0.3564 0.6269 0.023 Uiso 1 1 calc R
C18 C 0.92451(7) 0.21873(14) 0.61516(6) 0.0150(3) Uani 1 1 d .
C19 C 0.96139(7) 0.30129(14) 0.59282(7) 0.0170(3) Uani 1 1 d .
H19 H 0.9517 0.3897 0.5861 0.020 Uiso 1 1 calc R
C20 C 0.98915(7) 0.25313(14) 0.41895(6) 0.0150(2) Uani 1 1 d .
H20 H 0.9661 0.3102 0.4335 0.018 Uiso 1 1 calc R
C21 C 0.79027(8) 0.0229(2) 0.33681(8) 0.0276(4) Uani 1 1 d .
H21A H 0.7495 0.0563 0.3284 0.041 Uiso 1 1 calc R
H21B H 0.7960 -0.0561 0.3614 0.041 Uiso 1 1 calc R
H21C H 0.7954 0.0047 0.2972 0.041 Uiso 1 1 calc R
C22 C 0.82185(8) 0.22310(19) 0.44396(8) 0.0261(3) Uani 1 1 d .
H22A H 0.8244 0.1595 0.4762 0.039 Uiso 1 1 calc R
H22B H 0.7800 0.2520 0.4241 0.039 Uiso 1 1 calc R
H22C H 0.8477 0.2965 0.4631 0.039 Uiso 1 1 calc R
C23 C 0.84564(9) 0.2801(2) 0.32402(10) 0.0333(4) Uani 1 1 d .
H23A H 0.8683 0.3548 0.3465 0.050 Uiso 1 1 calc R
H23B H 0.8036 0.3046 0.3012 0.050 Uiso 1 1 calc R
H23C H 0.8637 0.2489 0.2946 0.050 Uiso 1 1 calc R
C24 C 0.84987(8) -0.34341(19) 0.57333(9) 0.0297(4) Uani 1 1 d .
H24A H 0.8578 -0.2882 0.6099 0.045 Uiso 1 1 calc R
H24B H 0.8818 -0.4080 0.5821 0.045 Uiso 1 1 calc R
H24C H 0.8108 -0.3862 0.5637 0.045 Uiso 1 1 calc R
C25 C 0.78327(8) -0.12257(17) 0.48722(8) 0.0219(3) Uani 1 1 d .
H20A H 0.7895 -0.0708 0.5246 0.033 Uiso 1 1 calc R
H20B H 0.7451 -0.1696 0.4762 0.033 Uiso 1 1 calc R
H20C H 0.7818 -0.0663 0.4526 0.033 Uiso 1 1 calc R
C26 C 0.82873(9) -0.3541(2) 0.43274(10) 0.0326(4) Uani 1 1 d .
H26A H 0.8262 -0.3047 0.3956 0.049 Uiso 1 1 calc R
H26B H 0.7898 -0.3956 0.4257 0.049 Uiso 1 1 calc R
H26C H 0.8602 -0.4197 0.4409 0.049 Uiso 1 1 calc R
C27 C 0.96077(7) 0.61565(13) 1.06040(6) 0.0124(2) Uani 1 1 d .
C28 C 0.91038(7) 0.53004(13) 1.03687(6) 0.0121(2) Uani 1 1 d .
C29 C 0.91996(6) 0.38703(13) 1.04956(6) 0.0114(2) Uani 1 1 d .
C30 C 0.91927(7) 0.30142(13) 1.00049(6) 0.0116(2) Uani 1 1 d .
C31 C 0.93523(7) 0.16706(13) 1.01795(6) 0.0133(2) Uani 1 1 d .
H31 H 0.9366 0.1089 0.9867 0.016 Uiso 1 1 calc R
C32 C 0.94849(7) 0.12117(13) 1.07851(6) 0.0149(3) Uani 1 1 d .
H32 H 0.9589 0.0335 1.0875 0.018 Uiso 1 1 calc R
C33 C 1.05338(7) 0.20555(13) 0.87209(6) 0.0134(2) Uani 1 1 d .
C34 C 1.03974(7) 0.16020(15) 0.80892(6) 0.0172(3) Uani 1 1 d .
H34 H 1.0291 0.0730 0.7990 0.021 Uiso 1 1 calc R
C35 C 1.04215(7) 0.24392(16) 0.76241(6) 0.0187(3) Uani 1 1 d .
H35 H 1.0327 0.2138 0.7210 0.022 Uiso 1 1 calc R
C36 C 1.05901(8) 0.37597(15) 0.77745(7) 0.0189(3) Uani 1 1 d .
H36 H 1.0614 0.4319 0.7459 0.023 Uiso 1 1 calc R
C37 C 1.07192(7) 0.42301(14) 0.83802(7) 0.0164(3) Uani 1 1 d .
H37 H 1.0829 0.5104 0.8470 0.020 Uiso 1 1 calc R
C38 C 1.06868(7) 0.33942(13) 0.88720(6) 0.0121(2) Uani 1 1 d .
C39 C 0.94948(7) 0.75103(14) 1.04195(6) 0.0159(3) Uani 1 1 d .
H39 H 0.9825 0.8091 1.0547 0.019 Uiso 1 1 calc R
C40 C 0.89229(8) 0.79772(14) 1.00648(7) 0.0179(3) Uani 1 1 d .
H40 H 0.8874 0.8860 0.9958 0.022 Uiso 1 1 calc R
C41 C 0.84026(7) 0.71383(14) 0.98564(7) 0.0156(3) Uani 1 1 d .
C42 C 0.78016(7) 0.76002(16) 0.94986(7) 0.0199(3) Uani 1 1 d .
H42 H 0.7742 0.8481 0.9390 0.024 Uiso 1 1 calc R
C43 C 0.73083(8) 0.67638(16) 0.93117(8) 0.0225(3) Uani 1 1 d .
H43 H 0.6916 0.7077 0.9077 0.027 Uiso 1 1 calc R
C44 C 0.73957(8) 0.54253(16) 0.94764(8) 0.0205(3) Uani 1 1 d .
H44 H 0.7059 0.4863 0.9355 0.025 Uiso 1 1 calc R
C45 C 0.79734(7) 0.49450(14) 0.98140(7) 0.0166(3) Uani 1 1 d .
H45 H 0.8023 0.4058 0.9914 0.020 Uiso 1 1 calc R
C46 C 0.84963(7) 0.57841(14) 1.00134(6) 0.0134(2) Uani 1 1 d .
C47 C 0.98172(11) 0.7833(2) 0.80692(9) 0.0358(5) Uani 1 1 d .
H47A H 0.9827 0.8592 0.8324 0.054 Uiso 1 1 calc R
H47B H 0.9608 0.8042 0.7627 0.054 Uiso 1 1 calc R
H47C H 1.0231 0.7559 0.8138 0.054 Uiso 1 1 calc R
C48 C 0.91759(9) 0.52819(18) 0.76201(7) 0.0252(3) Uani 1 1 d .
H48A H 0.9490 0.5260 0.7438 0.038 Uiso 1 1 calc R
H48B H 0.8792 0.5545 0.7301 0.038 Uiso 1 1 calc R
H48C H 0.9132 0.4427 0.7775 0.038 Uiso 1 1 calc R
C49 C 0.86644(9) 0.7193(2) 0.83263(9) 0.0328(4) Uani 1 1 d .
H49A H 0.8439 0.6522 0.8446 0.049 Uiso 1 1 calc R
H49B H 0.8419 0.7528 0.7914 0.049 Uiso 1 1 calc R
H49C H 0.8760 0.7889 0.8633 0.049 Uiso 1 1 calc R
C50 C 0.80039(8) 0.3676(2) 0.81736(8) 0.0296(4) Uani 1 1 d .
H50A H 0.7763 0.4191 0.8354 0.044 Uiso 1 1 calc R
H50B H 0.7734 0.3185 0.7818 0.044 Uiso 1 1 calc R
H50C H 0.8257 0.4243 0.8032 0.044 Uiso 1 1 calc R
C51 C 0.79898(8) 0.15156(18) 0.90813(7) 0.0239(3) Uani 1 1 d .
H51A H 0.8238 0.0963 0.9423 0.036 Uiso 1 1 calc R
H51B H 0.7726 0.0983 0.8740 0.036 Uiso 1 1 calc R
H51C H 0.7743 0.2081 0.9232 0.036 Uiso 1 1 calc R
C52 C 0.88550(9) 0.1376(2) 0.83656(9) 0.0344(4) Uani 1 1 d .
H52A H 0.8534 0.0921 0.8037 0.052 Uiso 1 1 calc R
H52B H 0.9111 0.0756 0.8665 0.052 Uiso 1 1 calc R
H52C H 0.9100 0.1864 0.8180 0.052 Uiso 1 1 calc R
Li1 Li 0.91703(13) 0.0424(3) 0.50741(12) 0.0172(5) Uani 1 1 d .
Li2 Li 0.92121(13) -0.1247(3) 0.42952(13) 0.0190(5) Uani 1 1 d .
Li3 Li 0.97452(13) 0.3753(3) 0.90715(13) 0.0193(5) Uani 1 1 d .
N1 N 0.91895(6) 0.07223(11) 0.41889(5) 0.0136(2) Uani 1 1 d .
N2 N 0.91540(6) -0.15471(12) 0.51623(5) 0.0135(2) Uani 1 1 d .
N3 N 0.98070(6) 0.57229(12) 0.90121(6) 0.0143(2) Uani 1 1 d .
N4 N 0.90430(6) 0.34346(12) 0.93781(5) 0.0129(2) Uani 1 1 d .
Si1 Si 0.848393(19) 0.14735(4) 0.382374(17) 0.01496(8) Uani 1 1 d .
Si2 Si 0.848176(19) -0.24117(4) 0.503291(19) 0.01599(8) Uani 1 1 d .
Si3 Si 0.940013(19) 0.64848(4) 0.829859(17) 0.01588(8) Uani 1 1 d .
Si4 Si 0.850246(19) 0.25288(4) 0.878645(17) 0.01558(8) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0031 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'
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 0.0826 0.0707 '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
N4 Li4 N3 104.84(14) . .
N4 Li4 C28 83.89(11) . .
N3 Li4 C28 133.76(15) . .
N4 Li4 C46 93.39(12) . .
N3 Li4 C46 157.93(15) . .
C28 Li4 C46 34.98(6) . .
N4 Li4 Li3 52.38(10) . .
N3 Li4 Li3 52.52(10) . .
C28 Li4 Li3 116.97(13) . .
C46 Li4 Li3 143.08(14) . .
N4 Li4 C27 105.29(12) . .
N3 Li4 C27 105.48(12) . .
C28 Li4 C27 31.05(6) . .
C46 Li4 C27 56.77(7) . .
Li3 Li4 C27 113.76(13) . .
N4 Li4 Si3 116.26(12) . .
N3 Li4 Si3 35.72(6) . .
C28 Li4 Si3 157.72(13) . .
C46 Li4 Si3 142.48(12) . .
Li3 Li4 Si3 73.56(10) . .
C27 Li4 Si3 127.70(11) . .
N1 C1 C2 121.84(12) . 2_756
N1 C1 C20 121.44(12) . .
C2 C1 C20 116.71(13) 2_756 .
N1 C1 Li1 118.68(10) . 2_756
C2 C1 Li1 58.00(9) 2_756 2_756
C20 C1 Li1 90.94(10) . 2_756
C1 C2 C13 121.07(12) 2_756 .
C1 C2 C3 119.06(13) 2_756 2_756
C13 C2 C3 119.86(12) . 2_756
C1 C2 Li1 90.74(10) 2_756 .
C13 C2 Li1 80.04(10) . .
C3 C2 Li1 100.54(11) 2_756 .
C4 C3 C12 121.00(13) . .
C4 C3 C2 120.18(12) . 2_756
C12 C3 C2 118.81(12) . 2_756
C4 C3 Li2 87.91(11) . .
C12 C3 Li2 80.26(11) . .
C2 C3 Li2 101.46(11) 2_756 .
C3 C4 N2 121.72(13) . 2_756
C3 C4 C5 116.97(13) . .
N2 C4 C5 121.30(13) 2_756 .
C3 C4 Li2 60.08(10) . .
N2 C4 Li2 120.41(11) 2_756 .
C5 C4 Li2 88.56(11) . .
C6 C5 C4 122.58(14) . .
C5 C6 C7 120.85(14) . .
C12 C7 C6 118.30(13) . .
C12 C7 C8 119.30(15) . .
C6 C7 C8 122.40(15) . .
C9 C8 C7 120.78(16) . .
C8 C9 C10 119.98(15) . .
C11 C10 C9 120.61(16) . .
C10 C11 C12 121.00(15) . .
C11 C12 C7 118.25(13) . .
C11 C12 C3 121.71(13) . .
C7 C12 C3 119.99(13) . .
C11 C12 Li2 115.06(12) . .
C7 C12 Li2 92.25(12) . .
C3 C12 Li2 65.12(10) . .
C18 C13 C14 117.76(14) . .
C18 C13 C2 120.31(13) . .
C14 C13 C2 121.90(13) . .
C18 C13 Li1 95.28(10) . .
C14 C13 Li1 111.31(11) . .
C2 C13 Li1 65.39(9) . .
C15 C14 C13 120.93(14) . .
C14 C15 C16 120.79(16) . .
C17 C16 C15 120.16(16) . .
C16 C17 C18 120.49(15) . .
C17 C18 C19 122.22(14) . .
C17 C18 C13 119.86(14) . .
C19 C18 C13 117.89(14) . .
C20 C19 C18 121.14(13) 2_756 .
C19 C20 C1 122.63(13) 2_756 .
N3 C27 C28 122.07(12) 2_757 .
N3 C27 C39 121.23(13) 2_757 .
C28 C27 C39 116.69(12) . .
N3 C27 Li4 119.61(11) 2_757 .
C28 C27 Li4 57.48(9) . .
C39 C27 Li4 90.40(10) . .
C27 C28 C46 121.01(12) . .
C27 C28 C29 119.46(12) . .
C46 C28 C29 119.52(12) . .
C27 C28 Li4 91.47(11) . .
C46 C28 Li4 78.66(11) . .
C29 C28 Li4 100.57(11) . .
C30 C29 C38 121.01(12) . 2_757
C30 C29 C28 120.08(11) . .
C38 C29 C28 118.89(11) 2_757 .
C30 C29 Li3 90.36(11) . 2_757
C38 C29 Li3 77.17(11) 2_757 2_757
C28 C29 Li3 101.27(11) . 2_757
N4 C30 C29 122.18(12) . .
N4 C30 C31 121.04(12) . .
C29 C30 C31 116.77(11) . .
N4 C30 Li3 121.13(11) . 2_757
C29 C30 Li3 58.25(10) . 2_757
C31 C30 Li3 88.99(10) . 2_757
C32 C31 C30 122.81(12) . .
C31 C32 C33 120.90(12) . 2_757
C34 C33 C32 121.90(13) . 2_757
C34 C33 C38 119.94(12) . .
C32 C33 C38 118.16(12) 2_757 .
C35 C34 C33 120.48(14) . .
C34 C35 C36 119.89(13) . .
C37 C36 C35 120.95(13) . .
C36 C37 C38 120.65(13) . .
C37 C38 C33 118.03(12) . .
C37 C38 C29 121.79(12) . 2_757
C33 C38 C29 120.17(12) . 2_757
C37 C38 Li3 111.21(12) . .
C33 C38 Li3 91.43(11) . .
C29 C38 Li3 67.49(10) 2_757 .
C40 C39 C27 122.74(14) . .
C39 C40 C41 121.14(13) . .
C40 C41 C42 122.38(14) . .
C40 C41 C46 117.98(13) . .
C42 C41 C46 119.64(14) . .
C43 C42 C41 120.78(14) . .
C42 C43 C44 119.90(14) . .
C45 C44 C43 120.68(15) . .
C44 C45 C46 120.93(14) . .
C45 C46 C41 118.05(13) . .
C45 C46 C28 121.73(13) . .
C41 C46 C28 120.21(13) . .
C45 C46 Li4 110.33(12) . .
C41 C46 Li4 94.13(11) . .
C28 C46 Li4 66.35(10) . .
N2 Li1 N1 104.64(13) . .
N2 Li1 C2 83.98(10) . .
N1 Li1 C2 134.72(15) . .
N2 Li1 Li2 52.46(9) . .
N1 Li1 Li2 52.23(9) . .
C2 Li1 Li2 117.80(13) . .
N2 Li1 C13 93.83(11) . .
N1 Li1 C13 157.98(14) . .
C2 Li1 C13 34.58(6) . .
Li2 Li1 C13 143.76(13) . .
N2 Li1 C1 105.12(11) . 2_756
N1 Li1 C1 106.05(12) . 2_756
C2 Li1 C1 31.25(6) . 2_756
Li2 Li1 C1 114.12(13) . 2_756
C13 Li1 C1 56.61(7) . 2_756
N2 Li1 Si1 116.13(11) . .
N1 Li1 Si1 36.00(6) . .
C2 Li1 Si1 158.24(12) . .
Li2 Li1 Si1 73.46(9) . .
C13 Li1 Si1 141.80(12) . .
C1 Li1 Si1 128.36(10) 2_756 .
N1 Li2 N2 104.82(13) . .
N1 Li2 C3 82.95(11) . .
N2 Li2 C3 138.31(15) . .
N1 Li2 Li1 52.59(9) . .
N2 Li2 Li1 52.29(9) . .
C3 Li2 Li1 119.34(14) . .
N1 Li2 C12 91.89(11) . .
N2 Li2 C12 161.39(15) . .
C3 Li2 C12 34.63(6) . .
Li1 Li2 C12 143.12(14) . .
N1 Li2 C4 105.28(12) . .
N2 Li2 C4 109.11(12) . .
C3 Li2 C4 32.02(6) . .
Li1 Li2 C4 117.02(13) . .
C12 Li2 C4 57.43(8) . .
N1 Li2 Si2 117.44(12) . .
N2 Li2 Si2 33.21(6) . .
C3 Li2 Si2 158.01(12) . .
Li1 Li2 Si2 72.93(9) . .
C12 Li2 Si2 142.18(11) . .
C4 Li2 Si2 127.28(10) . .
N4 Li3 N3 105.57(14) . .
N4 Li3 C29 137.60(14) . 2_757
N3 Li3 C29 83.42(11) . 2_757
N4 Li3 C38 160.02(15) . .
N3 Li3 C38 92.71(12) . .
C29 Li3 C38 35.33(6) 2_757 .
N4 Li3 Li4 52.82(10) . .
N3 Li3 Li4 52.80(10) . .
C29 Li3 Li4 119.43(14) 2_757 .
C38 Li3 Li4 144.13(14) . .
N4 Li3 C30 108.70(12) . 2_757
N3 Li3 C30 105.17(12) . 2_757
C29 Li3 C30 31.39(6) 2_757 2_757
C38 Li3 C30 57.48(7) . 2_757
Li4 Li3 C30 116.73(12) . 2_757
N4 Li3 Si4 33.69(6) . .
N3 Li3 Si4 119.08(12) . .
C29 Li3 Si4 156.03(12) 2_757 .
C38 Li3 Si4 139.96(11) . .
Li4 Li3 Si4 74.43(10) . .
C30 Li3 Si4 126.25(10) 2_757 .
C1 N1 Si1 121.11(9) . .
C1 N1 Li2 111.18(12) . .
Si1 N1 Li2 118.50(11) . .
C1 N1 Li1 122.01(12) . .
Si1 N1 Li1 100.21(10) . .
Li2 N1 Li1 75.18(12) . .
C4 N2 Si2 117.35(9) 2_756 .
C4 N2 Li1 109.86(12) 2_756 .
Si2 N2 Li1 122.68(11) . .
C4 N2 Li2 118.13(13) 2_756 .
Si2 N2 Li2 106.74(10) . .
Li1 N2 Li2 75.25(12) . .
C27 N3 Si3 121.09(10) 2_757 .
C27 N3 Li3 110.57(12) 2_757 .
Si3 N3 Li3 118.77(10) . .
C27 N3 Li4 122.25(12) 2_757 .
Si3 N3 Li4 100.86(10) . .
Li3 N3 Li4 74.68(12) . .
C30 N4 Si4 117.36(10) . .
C30 N4 Li3 117.44(12) . .
Si4 N4 Li3 105.98(10) . .
C30 N4 Li4 109.64(12) . .
Si4 N4 Li4 124.34(10) . .
Li3 N4 Li4 74.80(12) . .
N1 Si1 C21 109.48(8) . .
N1 Si1 C23 116.08(8) . .
C21 Si1 C23 105.86(9) . .
N1 Si1 C22 110.04(7) . .
C21 Si1 C22 108.58(9) . .
C23 Si1 C22 106.49(10) . .
N1 Si1 Li1 43.80(7) . .
C21 Si1 Li1 108.47(8) . .
C23 Si1 Li1 144.83(9) . .
C22 Si1 Li1 69.33(8) . .
N2 Si2 C25 108.74(7) . .
N2 Si2 C24 113.64(7) . .
C25 Si2 C24 106.95(8) . .
N2 Si2 C26 112.40(8) . .
C25 Si2 C26 107.74(9) . .
C24 Si2 C26 107.08(10) . .
N2 Si2 Li2 40.05(7) . .
C25 Si2 Li2 102.48(8) . .
C24 Si2 Li2 146.72(8) . .
C26 Si2 Li2 77.72(8) . .
N3 Si3 C47 115.24(8) . .
N3 Si3 C48 111.02(7) . .
C47 Si3 C48 106.02(9) . .
N3 Si3 C49 109.92(8) . .
C47 Si3 C49 107.34(11) . .
C48 Si3 C49 106.90(9) . .
N3 Si3 Li4 43.42(7) . .
C47 Si3 Li4 143.10(9) . .
C48 Si3 Li4 110.12(8) . .
C49 Si3 Li4 69.05(9) . .
N4 Si4 C50 108.54(8) . .
N4 Si4 C51 113.62(7) . .
C50 Si4 C51 107.73(8) . .
N4 Si4 C52 113.25(8) . .
C50 Si4 C52 106.83(10) . .
C51 Si4 C52 106.54(10) . .
N4 Si4 Li3 40.33(7) . .
C50 Si4 Li3 100.94(8) . .
C51 Si4 Li3 147.49(7) . .
C52 Si4 Li3 78.72(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li4 N4 2.032(3) .
Li4 N3 2.033(3) .
Li4 C28 2.295(3) .
Li4 C46 2.457(3) .
Li4 Li3 2.461(4) .
Li4 C27 2.721(3) .
Li4 Si3 2.904(3) .
C1 N1 1.3858(19) .
C1 C2 1.4034(19) 2_756
C1 C20 1.4424(19) .
C1 Li1 2.705(3) 2_756
C2 C1 1.4034(19) 2_756
C2 C13 1.432(2) .
C2 C3 1.4958(18) 2_756
C2 Li1 2.294(3) .
C3 C4 1.4012(19) .
C3 C12 1.4347(18) .
C3 C2 1.4958(18) 2_756
C3 Li2 2.291(3) .
C4 N2 1.4020(18) 2_756
C4 C5 1.4379(19) .
C4 Li2 2.641(3) .
C5 C6 1.365(2) .
C6 C7 1.421(2) .
C7 C12 1.420(2) .
C7 C8 1.421(2) .
C8 C9 1.369(3) .
C9 C10 1.403(3) .
C10 C11 1.374(2) .
C11 C12 1.416(2) .
C12 Li2 2.489(3) .
C13 C18 1.4253(19) .
C13 C14 1.427(2) .
C13 Li1 2.485(3) .
C14 C15 1.363(2) .
C15 C16 1.410(2) .
C16 C17 1.367(2) .
C17 C18 1.414(2) .
C18 C19 1.420(2) .
C19 C20 1.365(2) 2_756
C20 C19 1.365(2) 2_756
C21 Si1 1.8687(18) .
C22 Si1 1.8790(17) .
C23 Si1 1.8733(18) .
C24 Si2 1.8809(17) .
C25 Si2 1.8672(17) .
C26 Si2 1.8816(18) .
C27 N3 1.3950(18) 2_757
C27 C28 1.4041(19) .
C27 C39 1.4403(19) .
C28 C46 1.4365(19) .
C28 C29 1.4896(18) .
C29 C30 1.4052(18) .
C29 C38 1.4363(18) 2_757
C29 Li3 2.294(3) 2_757
C30 N4 1.3938(16) .
C30 C31 1.4389(18) .
C30 Li3 2.698(3) 2_757
C31 C32 1.3678(18) .
C32 C33 1.4208(19) 2_757
C33 C34 1.4189(18) .
C33 C32 1.4208(19) 2_757
C33 C38 1.4229(18) .
C34 C35 1.369(2) .
C35 C36 1.411(2) .
C36 C37 1.3733(19) .
C37 C38 1.4225(19) .
C38 C29 1.4363(18) 2_757
C38 Li3 2.421(3) .
C39 C40 1.366(2) .
C40 C41 1.418(2) .
C41 C42 1.419(2) .
C41 C46 1.4249(19) .
C42 C43 1.370(2) .
C43 C44 1.412(2) .
C44 C45 1.373(2) .
C45 C46 1.422(2) .
C47 Si3 1.8632(18) .
C48 Si3 1.8813(17) .
C49 Si3 1.882(2) .
C50 Si4 1.8608(17) .
C51 Si4 1.8749(17) .
C52 Si4 1.878(2) .
Li1 N2 2.025(3) .
Li1 N1 2.034(3) .
Li1 Li2 2.476(4) .
Li1 C1 2.705(3) 2_756
Li1 Si1 2.893(3) .
Li2 N1 2.025(3) .
Li2 N2 2.030(3) .
Li2 Si2 3.021(3) .
Li3 N4 2.020(3) .
Li3 N3 2.025(3) .
Li3 C29 2.294(3) 2_757
Li3 C30 2.698(3) 2_757
Li3 Si4 3.001(3) .
N1 Si1 1.7274(13) .
N2 C4 1.4020(18) 2_756
N2 Si2 1.7278(13) .
N3 C27 1.3950(18) 2_757
N3 Si3 1.7265(12) .
N4 Si4 1.7316(12) .
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_4
C12 C3 C4 N2 173.36(13) . 2_756
C2 C3 C4 N2 -7.3(2) 2_756 2_756
Li2 C3 C4 N2 -109.32(15) . 2_756
C12 C3 C4 C5 -6.3(2) . .
C2 C3 C4 C5 173.06(13) 2_756 .
Li2 C3 C4 C5 71.01(15) . .
C12 C3 C4 Li2 -77.32(14) . .
C2 C3 C4 Li2 102.05(14) 2_756 .
C3 C4 C5 C6 3.8(2) . .
N2 C4 C5 C6 -175.85(15) 2_756 .
Li2 C4 C5 C6 58.88(17) . .
C4 C5 C6 C7 1.0(3) . .
C5 C6 C7 C12 -3.3(3) . .
C5 C6 C7 C8 175.78(16) . .
C12 C7 C8 C9 3.0(3) . .
C6 C7 C8 C9 -176.09(17) . .
C7 C8 C9 C10 -2.9(3) . .
C8 C9 C10 C11 0.6(3) . .
C9 C10 C11 C12 1.5(3) . .
C10 C11 C12 C7 -1.3(2) . .
C10 C11 C12 C3 176.08(15) . .
C10 C11 C12 Li2 -108.81(17) . .
C6 C7 C12 C11 178.25(15) . .
C8 C7 C12 C11 -0.9(2) . .
C6 C7 C12 C3 0.8(2) . .
C8 C7 C12 C3 -178.34(15) . .
C6 C7 C12 Li2 -61.60(17) . .
C8 C7 C12 Li2 119.27(16) . .
C4 C3 C12 C11 -173.22(14) . .
C2 C3 C12 C11 7.4(2) 2_756 .
Li2 C3 C12 C11 105.20(15) . .
C4 C3 C12 C7 4.2(2) . .
C2 C3 C12 C7 -175.22(14) 2_756 .
Li2 C3 C12 C7 -77.43(15) . .
C4 C3 C12 Li2 81.58(15) . .
C2 C3 C12 Li2 -97.80(14) 2_756 .
C1 C2 C13 C18 3.47(19) 2_756 .
C3 C2 C13 C18 -177.85(12) 2_756 .
Li1 C2 C13 C18 -81.35(13) . .
C1 C2 C13 C14 -174.49(13) 2_756 .
C3 C2 C13 C14 4.19(19) 2_756 .
Li1 C2 C13 C14 100.70(14) . .
C1 C2 C13 Li1 84.81(13) 2_756 .
C3 C2 C13 Li1 -96.51(13) 2_756 .
C18 C13 C14 C15 -1.5(2) . .
C2 C13 C14 C15 176.48(13) . .
Li1 C13 C14 C15 -110.00(15) . .
C13 C14 C15 C16 1.0(2) . .
C14 C15 C16 C17 0.3(2) . .
C15 C16 C17 C18 -1.0(2) . .
C16 C17 C18 C19 -177.58(14) . .
C16 C17 C18 C13 0.4(2) . .
C14 C13 C18 C17 0.80(19) . .
C2 C13 C18 C17 -177.24(12) . .
Li1 C13 C18 C17 118.26(14) . .
C14 C13 C18 C19 178.90(13) . .
C2 C13 C18 C19 0.86(19) . .
Li1 C13 C18 C19 -63.65(14) . .
C17 C18 C19 C20 175.50(13) . 2_756
C13 C18 C19 C20 -2.6(2) . 2_756
N1 C1 C20 C19 -176.66(13) . 2_756
C2 C1 C20 C19 4.21(19) 2_756 2_756
Li1 C1 C20 C19 58.40(14) 2_756 2_756
N4 Li4 C27 N3 63.11(17) . 2_757
N3 Li4 C27 N3 -47.46(15) . 2_757
C28 Li4 C27 N3 111.22(14) . 2_757
C46 Li4 C27 N3 147.04(12) . 2_757
Li3 Li4 C27 N3 7.94(19) . 2_757
Si3 Li4 C27 N3 -79.17(16) . 2_757
N4 Li4 C27 C28 -48.11(12) . .
N3 Li4 C27 C28 -158.67(16) . .
C46 Li4 C27 C28 35.82(9) . .
Li3 Li4 C27 C28 -103.28(15) . .
Si3 Li4 C27 C28 169.62(17) . .
N4 Li4 C27 C39 -169.99(14) . .
N3 Li4 C27 C39 79.44(13) . .
C28 Li4 C27 C39 -121.88(13) . .
C46 Li4 C27 C39 -86.06(10) . .
Li3 Li4 C27 C39 134.84(14) . .
Si3 Li4 C27 C39 47.73(15) . .
N3 C27 C28 C46 175.38(13) 2_757 .
C39 C27 C28 C46 -5.78(19) . .
Li4 C27 C28 C46 -77.64(13) . .
N3 C27 C28 C29 -3.96(19) 2_757 .
C39 C27 C28 C29 174.89(12) . .
Li4 C27 C28 C29 103.02(14) . .
N3 C27 C28 Li4 -106.98(14) 2_757 .
C39 C27 C28 Li4 71.87(14) . .
N4 Li4 C28 C27 133.76(11) . .
N3 Li4 C28 C27 29.0(2) . .
C46 Li4 C28 C27 -121.36(12) . .
Li3 Li4 C28 C27 91.78(15) . .
Si3 Li4 C28 C27 -22.1(4) . .
N4 Li4 C28 C46 -104.87(12) . .
N3 Li4 C28 C46 150.4(2) . .
Li3 Li4 C28 C46 -146.86(16) . .
C27 Li4 C28 C46 121.36(12) . .
Si3 Li4 C28 C46 99.3(3) . .
N4 Li4 C28 C29 13.41(12) . .
N3 Li4 C28 C29 -91.3(2) . .
C46 Li4 C28 C29 118.29(13) . .
Li3 Li4 C28 C29 -28.57(17) . .
C27 Li4 C28 C29 -120.35(13) . .
Si3 Li4 C28 C29 -142.4(3) . .
C27 C28 C29 C30 -105.96(16) . .
C46 C28 C29 C30 74.69(18) . .
Li4 C28 C29 C30 -8.18(17) . .
C27 C28 C29 C38 72.55(17) . 2_757
C46 C28 C29 C38 -106.79(15) . 2_757
Li4 C28 C29 C38 170.33(13) . 2_757
C27 C28 C29 Li3 -8.90(15) . 2_757
C46 C28 C29 Li3 171.75(12) . 2_757
Li4 C28 C29 Li3 88.88(12) . 2_757
C38 C29 C30 N4 175.59(13) 2_757 .
C28 C29 C30 N4 -5.9(2) . .
Li3 C29 C30 N4 -109.20(15) 2_757 .
C38 C29 C30 C31 -4.8(2) 2_757 .
C28 C29 C30 C31 173.68(13) . .
Li3 C29 C30 C31 70.41(14) 2_757 .
C38 C29 C30 Li3 -75.21(14) 2_757 2_757
C28 C29 C30 Li3 103.27(15) . 2_757
N4 C30 C31 C32 -178.09(14) . .
C29 C30 C31 C32 2.3(2) . .
Li3 C30 C31 C32 55.55(16) 2_757 .
C30 C31 C32 C33 0.5(2) . 2_757
C32 C33 C34 C35 -179.78(16) 2_757 .
C38 C33 C34 C35 1.1(2) . .
C33 C34 C35 C36 0.7(2) . .
C34 C35 C36 C37 -1.4(3) . .
C35 C36 C37 C38 0.1(3) . .
C36 C37 C38 C33 1.7(2) . .
C36 C37 C38 C29 -177.99(15) . 2_757
C36 C37 C38 Li3 -102.03(17) . .
C34 C33 C38 C37 -2.3(2) . .
C32 C33 C38 C37 178.57(14) 2_757 .
C34 C33 C38 C29 177.42(14) . 2_757
C32 C33 C38 C29 -1.8(2) 2_757 2_757
C34 C33 C38 Li3 112.79(15) . .
C32 C33 C38 Li3 -66.38(15) 2_757 .
N3 C27 C39 C40 -177.39(14) 2_757 .
C28 C27 C39 C40 3.8(2) . .
Li4 C27 C39 C40 57.01(16) . .
C27 C39 C40 C41 0.0(2) . .
C39 C40 C41 C42 178.71(15) . .
C39 C40 C41 C46 -1.7(2) . .
C40 C41 C42 C43 -179.22(15) . .
C46 C41 C42 C43 1.2(2) . .
C41 C42 C43 C44 0.1(2) . .
C42 C43 C44 C45 -1.1(2) . .
C43 C44 C45 C46 0.8(2) . .
C44 C45 C46 C41 0.4(2) . .
C44 C45 C46 C28 179.79(14) . .
C44 C45 C46 Li4 -106.11(16) . .
C40 C41 C46 C45 178.97(13) . .
C42 C41 C46 C45 -1.4(2) . .
C40 C41 C46 C28 -0.4(2) . .
C42 C41 C46 C28 179.22(13) . .
C40 C41 C46 Li4 -65.37(15) . .
C42 C41 C46 Li4 114.27(15) . .
C27 C28 C46 C45 -175.08(13) . .
C29 C28 C46 C45 4.3(2) . .
Li4 C28 C46 C45 100.09(15) . .
C27 C28 C46 C41 4.3(2) . .
C29 C28 C46 C41 -176.38(12) . .
Li4 C28 C46 C41 -80.55(14) . .
C27 C28 C46 Li4 84.84(14) . .
C29 C28 C46 Li4 -95.83(13) . .
N4 Li4 C46 C45 -42.44(15) . .
N3 Li4 C46 C45 171.5(4) . .
C28 Li4 C46 C45 -116.74(14) . .
Li3 Li4 C46 C45 -62.5(3) . .
C27 Li4 C46 C45 -148.52(11) . .
Si3 Li4 C46 C45 101.2(2) . .
N4 Li4 C46 C41 -164.42(12) . .
N3 Li4 C46 C41 49.6(4) . .
C28 Li4 C46 C41 121.28(13) . .
Li3 Li4 C46 C41 175.5(2) . .
C27 Li4 C46 C41 89.51(9) . .
Si3 Li4 C46 C41 -20.8(2) . .
N4 Li4 C46 C28 74.30(12) . .
N3 Li4 C46 C28 -71.7(4) . .
Li3 Li4 C46 C28 54.2(2) . .
C27 Li4 C46 C28 -31.77(8) . .
Si3 Li4 C46 C28 -142.1(2) . .
C1 C2 Li1 N2 132.80(11) 2_756 .
C13 C2 Li1 N2 -105.75(11) . .
C3 C2 Li1 N2 13.03(12) 2_756 .
C1 C2 Li1 N1 28.1(2) 2_756 .
C13 C2 Li1 N1 149.6(2) . .
C3 C2 Li1 N1 -91.6(2) 2_756 .
C1 C2 Li1 Li2 91.24(15) 2_756 .
C13 C2 Li1 Li2 -147.31(15) . .
C3 C2 Li1 Li2 -28.53(17) 2_756 .
C1 C2 Li1 C13 -121.45(12) 2_756 .
C3 C2 Li1 C13 118.78(13) 2_756 .
C13 C2 Li1 C1 121.45(12) . 2_756
C3 C2 Li1 C1 -119.77(13) 2_756 2_756
C1 C2 Li1 Si1 -25.7(4) 2_756 .
C13 C2 Li1 Si1 95.8(4) . .
C3 C2 Li1 Si1 -145.5(3) 2_756 .
C18 C13 Li1 N2 -165.40(12) . .
C14 C13 Li1 N2 -42.84(15) . .
C2 C13 Li1 N2 73.60(12) . .
C18 C13 Li1 N1 47.3(4) . .
C14 C13 Li1 N1 169.9(4) . .
C2 C13 Li1 N1 -73.7(4) . .
C18 C13 Li1 C2 121.00(13) . .
C14 C13 Li1 C2 -116.44(14) . .
C18 C13 Li1 Li2 174.9(2) . .
C14 C13 Li1 Li2 -62.5(3) . .
C2 C13 Li1 Li2 53.9(2) . .
C18 C13 Li1 C1 88.99(10) . 2_756
C14 C13 Li1 C1 -148.45(12) . 2_756
C2 C13 Li1 C1 -32.01(8) . 2_756
C18 C13 Li1 Si1 -22.4(2) . .
C14 C13 Li1 Si1 100.2(2) . .
C2 C13 Li1 Si1 -143.4(2) . .
C4 C3 Li2 N1 134.31(11) . .
C12 C3 Li2 N1 -103.73(11) . .
C2 C3 Li2 N1 13.92(12) 2_756 .
C4 C3 Li2 N2 29.9(2) . .
C12 C3 Li2 N2 151.9(2) . .
C2 C3 Li2 N2 -90.5(2) 2_756 .
C4 C3 Li2 Li1 94.82(15) . .
C12 C3 Li2 Li1 -143.22(15) . .
C2 C3 Li2 Li1 -25.57(17) 2_756 .
C4 C3 Li2 C12 -121.96(12) . .
C2 C3 Li2 C12 117.65(12) 2_756 .
C12 C3 Li2 C4 121.96(12) . .
C2 C3 Li2 C4 -120.39(12) 2_756 .
C4 C3 Li2 Si2 -24.7(3) . .
C12 C3 Li2 Si2 97.3(3) . .
C2 C3 Li2 Si2 -145.1(3) 2_756 .
N2 Li1 Li2 N1 176.98(16) . .
C2 Li1 Li2 N1 -126.71(16) . .
C13 Li1 Li2 N1 -157.9(3) . .
C1 Li1 Li2 N1 -92.08(13) 2_756 .
Si1 Li1 Li2 N1 33.11(6) . .
N1 Li1 Li2 N2 -176.98(16) . .
C2 Li1 Li2 N2 56.31(13) . .
C13 Li1 Li2 N2 25.1(2) . .
C1 Li1 Li2 N2 90.94(13) 2_756 .
Si1 Li1 Li2 N2 -143.86(12) . .
N2 Li1 Li2 C3 -130.40(17) . .
N1 Li1 Li2 C3 52.62(13) . .
C2 Li1 Li2 C3 -74.09(18) . .
C13 Li1 Li2 C3 -105.3(2) . .
C1 Li1 Li2 C3 -39.46(18) 2_756 .
Si1 Li1 Li2 C3 85.73(13) . .
N2 Li1 Li2 C12 -164.9(3) . .
N1 Li1 Li2 C12 18.1(2) . .
C2 Li1 Li2 C12 -108.6(2) . .
C13 Li1 Li2 C12 -139.9(2) . .
C1 Li1 Li2 C12 -74.0(3) 2_756 .
Si1 Li1 Li2 C12 51.2(2) . .
N2 Li1 Li2 C4 -94.03(14) . .
N1 Li1 Li2 C4 88.99(14) . .
C2 Li1 Li2 C4 -37.72(19) . .
C13 Li1 Li2 C4 -68.9(3) . .
C1 Li1 Li2 C4 -3.09(18) 2_756 .
Si1 Li1 Li2 C4 122.11(12) . .
N2 Li1 Li2 Si2 29.66(6) . .
N1 Li1 Li2 Si2 -147.32(12) . .
C2 Li1 Li2 Si2 85.97(13) . .
C13 Li1 Li2 Si2 54.7(2) . .
C1 Li1 Li2 Si2 120.60(11) 2_756 .
Si1 Li1 Li2 Si2 -114.20(7) . .
C11 C12 Li2 N1 -40.30(16) . .
C7 C12 Li2 N1 -163.07(12) . .
C3 C12 Li2 N1 74.71(12) . .
C11 C12 Li2 N2 165.5(4) . .
C7 C12 Li2 N2 42.8(5) . .
C3 C12 Li2 N2 -79.5(5) . .
C11 C12 Li2 C3 -115.01(15) . .
C7 C12 Li2 C3 122.22(13) . .
C11 C12 Li2 Li1 -54.6(3) . .
C7 C12 Li2 Li1 -177.4(2) . .
C3 C12 Li2 Li1 60.4(2) . .
C11 C12 Li2 C4 -147.27(13) . .
C7 C12 Li2 C4 89.96(10) . .
C3 C12 Li2 C4 -32.26(8) . .
C11 C12 Li2 Si2 102.3(2) . .
C7 C12 Li2 Si2 -20.5(2) . .
C3 C12 Li2 Si2 -142.7(2) . .
C3 C4 Li2 N1 -47.41(12) . .
N2 C4 Li2 N1 64.04(16) 2_756 .
C5 C4 Li2 N1 -169.95(13) . .
C3 C4 Li2 N2 -159.45(16) . .
N2 C4 Li2 N2 -48.01(16) 2_756 .
C5 C4 Li2 N2 78.01(14) . .
N2 C4 Li2 C3 111.45(15) 2_756 .
C5 C4 Li2 C3 -122.54(13) . .
C3 C4 Li2 Li1 -102.82(15) . .
N2 C4 Li2 Li1 8.63(19) 2_756 .
C5 C4 Li2 Li1 134.64(14) . .
C3 C4 Li2 C12 34.89(8) . .
N2 C4 Li2 C12 146.34(12) 2_756 .
C5 C4 Li2 C12 -87.65(10) . .
C3 C4 Li2 Si2 168.66(16) . .
N2 C4 Li2 Si2 -79.89(16) 2_756 .
C5 C4 Li2 Si2 46.12(15) . .
C37 C38 Li3 N4 161.4(4) . .
C33 C38 Li3 N4 40.5(4) . .
C29 C38 Li3 N4 -81.8(4) 2_757 .
C37 C38 Li3 N3 -42.18(14) . .
C33 C38 Li3 N3 -163.11(11) . .
C29 C38 Li3 N3 74.63(11) 2_757 .
C37 C38 Li3 C29 -116.80(13) . 2_757
C33 C38 Li3 C29 122.27(12) . 2_757
C37 C38 Li3 Li4 -56.8(3) . .
C33 C38 Li3 Li4 -177.8(2) . .
C29 C38 Li3 Li4 60.0(2) 2_757 .
C37 C38 Li3 C30 -148.47(11) . 2_757
C33 C38 Li3 C30 90.60(9) . 2_757
C29 C38 Li3 C30 -31.67(7) 2_757 2_757
C37 C38 Li3 Si4 102.18(18) . .
C33 C38 Li3 Si4 -18.75(18) . .
C29 C38 Li3 Si4 -141.01(19) 2_757 .
N3 Li4 Li3 N4 -176.89(15) . .
C28 Li4 Li3 N4 57.11(13) . .
C46 Li4 Li3 N4 25.7(2) . .
C27 Li4 Li3 N4 91.40(13) . .
Si3 Li4 Li3 N4 -144.08(12) . .
N4 Li4 Li3 N3 176.89(15) . .
C28 Li4 Li3 N3 -126.00(17) . .
C46 Li4 Li3 N3 -157.5(3) . .
C27 Li4 Li3 N3 -91.71(13) . .
Si3 Li4 Li3 N3 32.81(6) . .
N4 Li4 Li3 C29 -129.52(16) . 2_757
N3 Li4 Li3 C29 53.60(13) . 2_757
C28 Li4 Li3 C29 -72.40(19) . 2_757
C46 Li4 Li3 C29 -103.9(2) . 2_757
C27 Li4 Li3 C29 -38.12(19) . 2_757
Si3 Li4 Li3 C29 86.41(13) . 2_757
N4 Li4 Li3 C38 -164.6(3) . .
N3 Li4 Li3 C38 18.5(2) . .
C28 Li4 Li3 C38 -107.5(2) . .
C46 Li4 Li3 C38 -139.0(2) . .
C27 Li4 Li3 C38 -73.2(3) . .
Si3 Li4 Li3 C38 51.3(2) . .
N4 Li4 Li3 C30 -93.93(14) . 2_757
N3 Li4 Li3 C30 89.18(14) . 2_757
C28 Li4 Li3 C30 -36.8(2) . 2_757
C46 Li4 Li3 C30 -68.3(3) . 2_757
C27 Li4 Li3 C30 -2.54(19) . 2_757
Si3 Li4 Li3 C30 121.99(12) . 2_757
N4 Li4 Li3 Si4 29.23(6) . .
N3 Li4 Li3 Si4 -147.66(11) . .
C28 Li4 Li3 Si4 86.34(13) . .
C46 Li4 Li3 Si4 54.9(2) . .
C27 Li4 Li3 Si4 120.62(11) . .
Si3 Li4 Li3 Si4 -114.85(7) . .
C2 C1 N1 Si1 -129.20(12) 2_756 .
C20 C1 N1 Si1 51.72(16) . .
Li1 C1 N1 Si1 162.60(9) 2_756 .
C2 C1 N1 Li2 17.05(17) 2_756 .
C20 C1 N1 Li2 -162.04(13) . .
Li1 C1 N1 Li2 -51.16(15) 2_756 .
C2 C1 N1 Li1 102.38(16) 2_756 .
C20 C1 N1 Li1 -76.70(17) . .
Li1 C1 N1 Li1 34.18(15) 2_756 .
N2 Li2 N1 C1 121.52(13) . .
C3 Li2 N1 C1 -16.69(13) . .
Li1 Li2 N1 C1 119.05(13) . .
C12 Li2 N1 C1 -50.21(13) . .
C4 Li2 N1 C1 6.47(15) . .
Si2 Li2 N1 C1 154.61(10) . .
N2 Li2 N1 Si1 -91.25(13) . .
C3 Li2 N1 Si1 130.54(9) . .
Li1 Li2 N1 Si1 -93.72(12) . .
C12 Li2 N1 Si1 97.02(11) . .
C4 Li2 N1 Si1 153.70(8) . .
Si2 Li2 N1 Si1 -58.16(15) . .
N2 Li2 N1 Li1 2.47(13) . .
C3 Li2 N1 Li1 -135.74(12) . .
C12 Li2 N1 Li1 -169.26(13) . .
C4 Li2 N1 Li1 -112.58(13) . .
Si2 Li2 N1 Li1 35.56(12) . .
N2 Li1 N1 C1 -108.46(14) . .
C2 Li1 N1 C1 -12.4(3) . .
Li2 Li1 N1 C1 -105.98(15) . .
C13 Li1 N1 C1 37.7(4) . .
C1 Li1 N1 C1 2.39(16) 2_756 .
Si1 Li1 N1 C1 137.03(15) . .
N2 Li1 N1 Si1 114.51(11) . .
C2 Li1 N1 Si1 -149.39(16) . .
Li2 Li1 N1 Si1 116.99(11) . .
C13 Li1 N1 Si1 -99.3(4) . .
C1 Li1 N1 Si1 -134.65(9) 2_756 .
N2 Li1 N1 Li2 -2.48(13) . .
C2 Li1 N1 Li2 93.6(2) . .
C13 Li1 N1 Li2 143.7(4) . .
C1 Li1 N1 Li2 108.36(13) 2_756 .
Si1 Li1 N1 Li2 -116.99(11) . .
N1 Li1 N2 C4 117.51(13) . 2_756
C2 Li1 N2 C4 -17.22(13) . 2_756
Li2 Li1 N2 C4 115.04(14) . 2_756
C13 Li1 N2 C4 -50.41(14) . 2_756
C1 Li1 N2 C4 6.00(15) 2_756 2_756
Si1 Li1 N2 C4 154.07(11) . 2_756
N1 Li1 N2 Si2 -98.19(14) . .
C2 Li1 N2 Si2 127.08(10) . .
Li2 Li1 N2 Si2 -100.66(13) . .
C13 Li1 N2 Si2 93.89(11) . .
C1 Li1 N2 Si2 150.30(8) 2_756 .
Si1 Li1 N2 Si2 -61.64(16) . .
N1 Li1 N2 Li2 2.47(13) . .
C2 Li1 N2 Li2 -132.26(13) . .
C13 Li1 N2 Li2 -165.45(13) . .
C1 Li1 N2 Li2 -109.04(13) 2_756 .
Si1 Li1 N2 Li2 39.03(13) . .
N1 Li2 N2 C4 -107.41(14) . 2_756
C3 Li2 N2 C4 -11.3(3) . 2_756
Li1 Li2 N2 C4 -104.93(14) . 2_756
C12 Li2 N2 C4 45.8(5) . 2_756
C4 Li2 N2 C4 4.94(16) . 2_756
Si2 Li2 N2 C4 134.82(14) . 2_756
N1 Li2 N2 Si2 117.77(11) . .
C3 Li2 N2 Si2 -146.13(18) . .
Li1 Li2 N2 Si2 120.26(11) . .
C12 Li2 N2 Si2 -89.0(5) . .
C4 Li2 N2 Si2 -129.88(10) . .
N1 Li2 N2 Li1 -2.48(13) . .
C3 Li2 N2 Li1 93.6(2) . .
C12 Li2 N2 Li1 150.7(5) . .
C4 Li2 N2 Li1 109.86(14) . .
Si2 Li2 N2 Li1 -120.26(11) . .
N4 Li3 N3 C27 121.79(13) . 2_757
C29 Li3 N3 C27 -15.91(13) 2_757 2_757
C38 Li3 N3 C27 -50.06(13) . 2_757
Li4 Li3 N3 C27 119.21(13) . 2_757
C30 Li3 N3 C27 6.93(16) 2_757 2_757
Si4 Li3 N3 C27 155.34(11) . 2_757
N4 Li3 N3 Si3 -91.58(13) . .
C29 Li3 N3 Si3 130.73(9) 2_757 .
C38 Li3 N3 Si3 96.58(11) . .
Li4 Li3 N3 Si3 -94.15(12) . .
C30 Li3 N3 Si3 153.56(8) 2_757 .
Si4 Li3 N3 Si3 -58.02(16) . .
N4 Li3 N3 Li4 2.57(13) . .
C29 Li3 N3 Li4 -135.12(12) 2_757 .
C38 Li3 N3 Li4 -169.27(12) . .
C30 Li3 N3 Li4 -112.29(13) 2_757 .
Si4 Li3 N3 Li4 36.13(13) . .
N4 Li4 N3 C27 -107.49(15) . 2_757
C28 Li4 N3 C27 -11.7(3) . 2_757
C46 Li4 N3 C27 37.3(4) . 2_757
Li3 Li4 N3 C27 -104.94(14) . 2_757
C27 Li4 N3 C27 3.39(17) . 2_757
Si3 Li4 N3 C27 137.96(15) . 2_757
N4 Li4 N3 Si3 114.55(11) . .
C28 Li4 N3 Si3 -149.63(17) . .
C46 Li4 N3 Si3 -100.7(4) . .
Li3 Li4 N3 Si3 117.10(10) . .
C27 Li4 N3 Si3 -134.57(9) . .
N4 Li4 N3 Li3 -2.55(12) . .
C28 Li4 N3 Li3 93.3(2) . .
C46 Li4 N3 Li3 142.2(4) . .
C27 Li4 N3 Li3 108.33(13) . .
Si3 Li4 N3 Li3 -117.10(11) . .
C29 C30 N4 Si4 -130.76(13) . .
C31 C30 N4 Si4 49.65(18) . .
Li3 C30 N4 Si4 159.50(9) 2_757 .
C29 C30 N4 Li3 101.08(17) . .
C31 C30 N4 Li3 -78.51(17) . .
Li3 C30 N4 Li3 31.33(15) 2_757 .
C29 C30 N4 Li4 18.4(2) . .
C31 C30 N4 Li4 -161.14(14) . .
Li3 C30 N4 Li4 -51.30(17) 2_757 .
N3 Li3 N4 C30 -107.13(14) . .
C29 Li3 N4 C30 -9.7(3) 2_757 .
C38 Li3 N4 C30 48.4(5) . .
Li4 Li3 N4 C30 -104.56(14) . .
C30 Li3 N4 C30 5.27(16) 2_757 .
Si4 Li3 N4 C30 133.42(15) . .
N3 Li3 N4 Si4 119.45(11) . .
C29 Li3 N4 Si4 -143.16(18) 2_757 .
C38 Li3 N4 Si4 -85.1(4) . .
Li4 Li3 N4 Si4 122.02(11) . .
C30 Li3 N4 Si4 -128.15(9) 2_757 .
N3 Li3 N4 Li4 -2.57(13) . .
C29 Li3 N4 Li4 94.8(2) 2_757 .
C38 Li3 N4 Li4 152.9(4) . .
C30 Li3 N4 Li4 109.83(13) 2_757 .
Si4 Li3 N4 Li4 -122.02(11) . .
N3 Li4 N4 C30 116.76(13) . .
C28 Li4 N4 C30 -16.97(14) . .
C46 Li4 N4 C30 -50.69(14) . .
Li3 Li4 N4 C30 114.21(13) . .
C27 Li4 N4 C30 5.75(16) . .
Si3 Li4 N4 C30 153.07(12) . .
N3 Li4 N4 Si4 -96.65(14) . .
C28 Li4 N4 Si4 129.62(10) . .
C46 Li4 N4 Si4 95.90(12) . .
Li3 Li4 N4 Si4 -99.20(13) . .
C27 Li4 N4 Si4 152.34(9) . .
Si3 Li4 N4 Si4 -60.34(17) . .
N3 Li4 N4 Li3 2.55(12) . .
C28 Li4 N4 Li3 -131.18(12) . .
C46 Li4 N4 Li3 -164.90(13) . .
C27 Li4 N4 Li3 -108.46(13) . .
Si3 Li4 N4 Li3 38.86(13) . .
C1 N1 Si1 C21 125.76(11) . .
Li2 N1 Si1 C21 -18.12(13) . .
Li1 N1 Si1 C21 -96.70(11) . .
C1 N1 Si1 C23 6.02(15) . .
Li2 N1 Si1 C23 -137.85(13) . .
Li1 N1 Si1 C23 143.57(12) . .
C1 N1 Si1 C22 -114.97(12) . .
Li2 N1 Si1 C22 101.15(13) . .
Li1 N1 Si1 C22 22.57(12) . .
C1 N1 Si1 Li1 -137.54(15) . .
Li2 N1 Si1 Li1 78.58(14) . .
N2 Li1 Si1 N1 -78.68(14) . .
C2 Li1 Si1 N1 77.3(3) . .
Li2 Li1 Si1 N1 -47.29(10) . .
C13 Li1 Si1 N1 143.3(2) . .
C1 Li1 Si1 N1 60.68(13) 2_756 .
N2 Li1 Si1 C21 20.51(16) . .
N1 Li1 Si1 C21 99.19(10) . .
C2 Li1 Si1 C21 176.5(3) . .
Li2 Li1 Si1 C21 51.90(12) . .
C13 Li1 Si1 C21 -117.54(19) . .
C1 Li1 Si1 C21 159.87(12) 2_756 .
N2 Li1 Si1 C23 -146.52(15) . .
N1 Li1 Si1 C23 -67.84(18) . .
C2 Li1 Si1 C23 9.5(4) . .
Li2 Li1 Si1 C23 -115.13(16) . .
C13 Li1 Si1 C23 75.4(3) . .
C1 Li1 Si1 C23 -7.2(2) 2_756 .
N2 Li1 Si1 C22 123.98(15) . .
N1 Li1 Si1 C22 -157.33(12) . .
C2 Li1 Si1 C22 -80.0(3) . .
Li2 Li1 Si1 C22 155.38(12) . .
C13 Li1 Si1 C22 -14.07(18) . .
C1 Li1 Si1 C22 -96.65(14) 2_756 .
C4 N2 Si2 C25 137.59(11) 2_756 .
Li1 N2 Si2 C25 -4.24(13) . .
Li2 N2 Si2 C25 -87.19(11) . .
C4 N2 Si2 C24 18.60(14) 2_756 .
Li1 N2 Si2 C24 -123.23(13) . .
Li2 N2 Si2 C24 153.83(12) . .
C4 N2 Si2 C26 -103.21(13) 2_756 .
Li1 N2 Si2 C26 114.96(13) . .
Li2 N2 Si2 C26 32.02(13) . .
C4 N2 Si2 Li2 -135.23(16) 2_756 .
Li1 N2 Si2 Li2 82.94(14) . .
N1 Li2 Si2 N2 -74.53(14) . .
C3 Li2 Si2 N2 81.8(3) . .
Li1 Li2 Si2 N2 -45.63(10) . .
C12 Li2 Si2 N2 148.7(2) . .
C4 Li2 Si2 N2 65.69(13) . .
N1 Li2 Si2 C25 29.84(14) . .
N2 Li2 Si2 C25 104.37(11) . .
C3 Li2 Si2 C25 -173.8(3) . .
Li1 Li2 Si2 C25 58.74(10) . .
C12 Li2 Si2 C25 -106.98(19) . .
C4 Li2 Si2 C25 170.06(12) . .
N1 Li2 Si2 C24 -121.94(17) . .
N2 Li2 Si2 C24 -47.41(19) . .
C3 Li2 Si2 C24 34.4(4) . .
Li1 Li2 Si2 C24 -93.04(17) . .
C12 Li2 Si2 C24 101.2(2) . .
C4 Li2 Si2 C24 18.3(2) . .
N1 Li2 Si2 C26 135.59(15) . .
N2 Li2 Si2 C26 -149.89(12) . .
C3 Li2 Si2 C26 -68.0(3) . .
Li1 Li2 Si2 C26 164.48(11) . .
C12 Li2 Si2 C26 -1.24(19) . .
C4 Li2 Si2 C26 -84.20(14) . .
C27 N3 Si3 C47 3.41(16) 2_757 .
Li3 N3 Si3 C47 -139.62(14) . .
Li4 N3 Si3 C47 142.01(12) . .
C27 N3 Si3 C48 123.93(12) 2_757 .
Li3 N3 Si3 C48 -19.10(14) . .
Li4 N3 Si3 C48 -97.47(11) . .
C27 N3 Si3 C49 -118.00(13) 2_757 .
Li3 N3 Si3 C49 98.96(14) . .
Li4 N3 Si3 C49 20.59(13) . .
C27 N3 Si3 Li4 -138.60(16) 2_757 .
Li3 N3 Si3 Li4 78.37(14) . .
N4 Li4 Si3 N3 -78.65(14) . .
C28 Li4 Si3 N3 74.4(3) . .
C46 Li4 Si3 N3 142.7(2) . .
Li3 Li4 Si3 N3 -47.44(10) . .
C27 Li4 Si3 N3 60.19(13) . .
N4 Li4 Si3 C47 -146.67(15) . .
N3 Li4 Si3 C47 -68.02(18) . .
C28 Li4 Si3 C47 6.4(4) . .
C46 Li4 Si3 C47 74.7(3) . .
Li3 Li4 Si3 C47 -115.46(17) . .
C27 Li4 Si3 C47 -7.8(2) . .
N4 Li4 Si3 C48 21.06(16) . .
N3 Li4 Si3 C48 99.71(11) . .
C28 Li4 Si3 C48 174.1(3) . .
C46 Li4 Si3 C48 -117.6(2) . .
Li3 Li4 Si3 C48 52.27(11) . .
C27 Li4 Si3 C48 159.90(12) . .
N4 Li4 Si3 C49 122.09(16) . .
N3 Li4 Si3 C49 -159.26(13) . .
C28 Li4 Si3 C49 -84.9(3) . .
C46 Li4 Si3 C49 -16.58(19) . .
Li3 Li4 Si3 C49 153.30(12) . .
C27 Li4 Si3 C49 -99.07(15) . .
C30 N4 Si4 C50 141.46(12) . .
Li3 N4 Si4 C50 -85.08(12) . .
Li4 N4 Si4 C50 -2.81(15) . .
C30 N4 Si4 C51 21.65(14) . .
Li3 N4 Si4 C51 155.11(11) . .
Li4 N4 Si4 C51 -122.62(13) . .
C30 N4 Si4 C52 -100.09(13) . .
Li3 N4 Si4 C52 33.37(13) . .
Li4 N4 Si4 C52 115.64(15) . .
C30 N4 Si4 Li3 -133.46(16) . .
Li4 N4 Si4 Li3 82.27(15) . .
N3 Li3 Si4 N4 -73.71(14) . .
C29 Li3 Si4 N4 84.5(3) 2_757 .
C38 Li3 Si4 N4 148.1(2) . .
Li4 Li3 Si4 N4 -44.53(10) . .
C30 Li3 Si4 N4 67.48(12) 2_757 .
N4 Li3 Si4 C50 105.82(11) . .
N3 Li3 Si4 C50 32.12(15) . .
C29 Li3 Si4 C50 -169.7(3) 2_757 .
C38 Li3 Si4 C50 -106.12(18) . .
Li4 Li3 Si4 C50 61.30(11) . .
C30 Li3 Si4 C50 173.30(13) 2_757 .
N4 Li3 Si4 C51 -45.85(19) . .
N3 Li3 Si4 C51 -119.56(16) . .
C29 Li3 Si4 C51 38.6(4) 2_757 .
C38 Li3 Si4 C51 102.2(2) . .
Li4 Li3 Si4 C51 -90.38(17) . .
C30 Li3 Si4 C51 21.6(2) 2_757 .
N4 Li3 Si4 C52 -148.98(12) . .
N3 Li3 Si4 C52 137.32(15) . .
C29 Li3 Si4 C52 -64.5(3) 2_757 .
C38 Li3 Si4 C52 -0.92(17) . .
Li4 Li3 Si4 C52 166.49(11) . .
C30 Li3 Si4 C52 -81.50(14) 2_757 .
