#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:37:00 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/59/7715932.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_7715932
loop_
_publ_author_name
'Grasruck, Alexander'
'Schall, Kristina'
'Heinemann, Frank W.'
'Langer, Jens'
'Herrera, Alberto'
'Frieß, Sybille'
'Schmid, Günter'
'Dorta, Romano'
_publ_section_title
;
 Dibenzoazepine hydrazine is a building block for N-alkene hybrid
 ligands: exploratory syntheses of complexes of Cu, Fe, and Li.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8642
_journal_page_last               8656
_journal_paper_doi               10.1039/d4dt00749b
_journal_volume                  53
_journal_year                    2024
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C51 H57 Li3 N6 Si3'
_chemical_formula_sum            'C51 H57 Li3 N6 Si3'
_chemical_formula_weight         859.11
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2023-10-12
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-03-07 deposited with the CCDC.	2024-04-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.794(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.5186(9)
_cell_length_b                   19.8427(16)
_cell_length_c                   21.2591(17)
_cell_measurement_reflns_used    9613
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.20
_cell_volume                     4773.0(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELX XT 2014/5 (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 83.33
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Quazar focussing montel optics'
_diffrn_radiation_source         'ImuS micro-focus tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0863
_diffrn_reflns_av_unetI/netI     0.0667
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            140713
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.925
_diffrn_reflns_theta_min         0.975
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.140
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5765
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1264 before and 0.0713 after correction.
The Ratio of minimum to maximum transmission is 0.7732.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_description       plate
_exptl_crystal_F_000             1824
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene, n-pentane'
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.413
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.054
_refine_ls_abs_structure_details
;
 Flack x determined using 7374 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.04(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1153
_refine_ls_number_reflns         22777
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0378P)²+1.7570P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.1007
_reflns_Friedel_coverage         0.943
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                18559
_reflns_number_total             22777
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00749b2.cif
_cod_data_source_block           rd1721
_cod_depositor_comments
'Adding full bibliography for 7715932--7715940.cif.'
_cod_database_code               7715932
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.990
_shelx_estimated_absorpt_t_min   0.962
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12),
 C13(H13), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C27(H27),
  C28(H28), C29(H29), C30(H30), C36(H36), C37(H37), C38(H38), C39(H39),
 C41(H41), C42(H42), C44(H44), C45(H45), C46(H46), C47(H47), C53(H53), C54(H54),
  C55(H55), C56(H56), C58(H58), C59(H59), C61(H61), C62(H62), C63(H63),
 C64(H64), C70(H70), C71(H71), C72(H72), C73(H73), C75(H75), C76(H76), C78(H78),
  C79(H79), C80(H80), C81(H81), C87(H87), C88(H88), C89(H89), C90(H90),
 C92(H92), C93(H93), C95(H95), C96(H96), C97(H97), C98(H98)
2.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C49(H49A,H49B,H49C), C50(H50A,
 H50B,H50C), C51(H51A,H51B,H51C), C66(H66A,H66B,H66C), C67(H67A,H67B,H67C),
 C68(H68A,H68B,H68C), C83(H83A,H83B,H83C), C84(H84A,H84B,H84C), C85(H85A,H85B,
 H85C), C100(H10A,H10B,H10C), C101(H10D,H10E,H10F), C102(H10G,H10H,H10I)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.46849(8) 0.27629(5) 0.52674(4) 0.0177(2) Uani 1 1 d . . . . .
Si2 Si 0.63897(8) 0.21373(5) 0.80077(4) 0.0180(2) Uani 1 1 d . . . . .
Si3 Si 0.48853(8) 0.45261(5) 0.76721(5) 0.0161(2) Uani 1 1 d . . . . .
Li1 Li 0.5700(6) 0.2304(3) 0.6569(3) 0.0281(15) Uani 1 1 d . . . . .
Li2 Li 0.4231(6) 0.3021(3) 0.7406(3) 0.0240(13) Uani 1 1 d . . . . .
Li3 Li 0.5025(6) 0.3736(3) 0.6348(3) 0.0256(14) Uani 1 1 d . . . . .
N1 N 0.6769(3) 0.30990(15) 0.56124(13) 0.0180(6) Uani 1 1 d . . . . .
N2 N 0.5743(2) 0.29886(14) 0.59272(13) 0.0175(6) Uani 1 1 d . . . . .
N3 N 0.4503(2) 0.15949(14) 0.75470(13) 0.0165(6) Uani 1 1 d . . . . .
N4 N 0.5177(2) 0.21866(14) 0.73865(13) 0.0170(6) Uani 1 1 d . . . . .
N5 N 0.3073(2) 0.40865(14) 0.66803(13) 0.0166(6) Uani 1 1 d . . . . .
N6 N 0.4225(2) 0.39563(14) 0.70915(13) 0.0156(6) Uani 1 1 d . . . . .
C1 C 0.7712(3) 0.26287(18) 0.57477(17) 0.0207(8) Uani 1 1 d . . . . .
C2 C 0.7986(3) 0.2281(2) 0.63280(18) 0.0266(9) Uani 1 1 d . . . . .
H2 H 0.755970 0.237929 0.665881 0.032 Uiso 1 1 calc R U . . .
C3 C 0.8867(4) 0.1796(2) 0.6430(2) 0.0369(10) Uani 1 1 d . . . . .
H3 H 0.903952 0.156585 0.682874 0.044 Uiso 1 1 calc R U . . .
C4 C 0.9496(4) 0.1646(2) 0.5953(2) 0.0389(11) Uani 1 1 d . . . . .
H4 H 1.009448 0.130985 0.601941 0.047 Uiso 1 1 calc R U . . .
C5 C 0.9242(4) 0.1991(2) 0.5381(2) 0.0346(10) Uani 1 1 d . . . . .
H5 H 0.967163 0.188573 0.505381 0.042 Uiso 1 1 calc R U . . .
C6 C 0.8376(3) 0.24893(19) 0.52672(18) 0.0239(8) Uani 1 1 d . . . . .
C7 C 0.8194(3) 0.2851(2) 0.46567(18) 0.0266(9) Uani 1 1 d . . . . .
H7 H 0.834097 0.260559 0.429613 0.032 Uiso 1 1 calc R U . . .
C8 C 0.7845(3) 0.3489(2) 0.45519(18) 0.0279(9) Uani 1 1 d . . . . .
H8 H 0.776327 0.364364 0.412290 0.033 Uiso 1 1 calc R U . . .
C9 C 0.7574(3) 0.39797(19) 0.50176(17) 0.0228(8) Uani 1 1 d . . . . .
C10 C 0.7774(3) 0.4664(2) 0.49254(19) 0.0281(9) Uani 1 1 d . . . . .
H10 H 0.803805 0.480391 0.454844 0.034 Uiso 1 1 calc R U . . .
C11 C 0.7598(3) 0.5139(2) 0.5368(2) 0.0306(9) Uani 1 1 d . . . . .
H11 H 0.773731 0.560228 0.529644 0.037 Uiso 1 1 calc R U . . .
C12 C 0.7218(3) 0.4942(2) 0.5917(2) 0.0285(9) Uani 1 1 d . . . . .
H12 H 0.711467 0.526683 0.623036 0.034 Uiso 1 1 calc R U . . .
C13 C 0.6987(3) 0.42666(19) 0.60117(17) 0.0218(8) Uani 1 1 d . . . . .
H13 H 0.672888 0.413398 0.639221 0.026 Uiso 1 1 calc R U . . .
C14 C 0.7126(3) 0.37824(18) 0.55628(16) 0.0187(7) Uani 1 1 d . . . . .
C15 C 0.5064(4) 0.19673(19) 0.48767(18) 0.0275(9) Uani 1 1 d . . . . .
H15A H 0.578065 0.203821 0.469884 0.041 Uiso 1 1 calc R U . . .
H15B H 0.440943 0.184277 0.453191 0.041 Uiso 1 1 calc R U . . .
H15C H 0.520151 0.160475 0.519503 0.041 Uiso 1 1 calc R U . . .
C16 C 0.4420(3) 0.34324(19) 0.46406(17) 0.0247(8) Uani 1 1 d . . . . .
H16A H 0.426634 0.386207 0.483723 0.037 Uiso 1 1 calc R U . . .
H16B H 0.373522 0.330999 0.431298 0.037 Uiso 1 1 calc R U . . .
H16C H 0.511882 0.347691 0.444251 0.037 Uiso 1 1 calc R U . . .
C17 C 0.3305(3) 0.26095(19) 0.55961(18) 0.0245(8) Uani 1 1 d . . . . .
H17A H 0.339872 0.219827 0.585601 0.037 Uiso 1 1 calc R U . . .
H17B H 0.263242 0.255722 0.524152 0.037 Uiso 1 1 calc R U . . .
H17C H 0.316334 0.299287 0.586238 0.037 Uiso 1 1 calc R U . . .
C18 C 0.3359(3) 0.17328(17) 0.76731(16) 0.0158(7) Uani 1 1 d . . . . .
C19 C 0.2620(3) 0.22199(18) 0.73460(16) 0.0195(7) Uani 1 1 d . . . . .
H19 H 0.285016 0.244714 0.699568 0.023 Uiso 1 1 calc R U . . .
C20 C 0.1551(3) 0.23830(19) 0.75185(19) 0.0252(8) Uani 1 1 d . . . . .
H20 H 0.106121 0.272151 0.729046 0.030 Uiso 1 1 calc R U . . .
C21 C 0.1205(3) 0.2053(2) 0.80211(18) 0.0271(9) Uani 1 1 d . . . . .
H21 H 0.048612 0.217151 0.815092 0.032 Uiso 1 1 calc R U . . .
C22 C 0.1911(3) 0.15443(18) 0.83378(18) 0.0229(8) Uani 1 1 d . . . . .
H22 H 0.166354 0.131434 0.868177 0.027 Uiso 1 1 calc R U . . .
C23 C 0.2979(3) 0.13632(17) 0.81619(16) 0.0185(7) Uani 1 1 d . . . . .
C24 C 0.3646(3) 0.07878(17) 0.84735(17) 0.0202(8) Uani 1 1 d . . . . .
H24 H 0.359277 0.070700 0.890768 0.024 Uiso 1 1 calc R U . . .
C25 C 0.4323(3) 0.03637(17) 0.82111(17) 0.0204(8) Uani 1 1 d . . . . .
H25 H 0.469301 0.001257 0.847984 0.024 Uiso 1 1 calc R U . . .
C26 C 0.4560(3) 0.03777(17) 0.75572(17) 0.0197(7) Uani 1 1 d . . . . .
C27 C 0.4769(3) -0.02286(19) 0.7265(2) 0.0278(9) Uani 1 1 d . . . . .
H27 H 0.480481 -0.063511 0.750387 0.033 Uiso 1 1 calc R U . . .
C28 C 0.4924(4) -0.0252(2) 0.6638(2) 0.0369(11) Uani 1 1 d . . . . .
H28 H 0.506125 -0.066995 0.644613 0.044 Uiso 1 1 calc R U . . .
C29 C 0.4879(4) 0.0343(2) 0.6291(2) 0.0360(10) Uani 1 1 d . . . . .
H29 H 0.495720 0.033085 0.585443 0.043 Uiso 1 1 calc R U . . .
C30 C 0.4720(3) 0.0950(2) 0.65753(18) 0.0249(8) Uani 1 1 d . . . . .
H30 H 0.470741 0.135493 0.633510 0.030 Uiso 1 1 calc R U . . .
C31 C 0.4578(3) 0.09791(17) 0.72124(16) 0.0175(7) Uani 1 1 d . . . . .
C32 C 0.7352(3) 0.28908(19) 0.79378(19) 0.0266(9) Uani 1 1 d . . . . .
H32A H 0.718122 0.306137 0.749747 0.040 Uiso 1 1 calc R U . . .
H32B H 0.818553 0.275867 0.804785 0.040 Uiso 1 1 calc R U . . .
H32C H 0.719116 0.324441 0.823159 0.040 Uiso 1 1 calc R U . . .
C33 C 0.6004(3) 0.2140(2) 0.88239(17) 0.0300(9) Uani 1 1 d . . . . .
H33A H 0.556496 0.255134 0.888037 0.045 Uiso 1 1 calc R U . . .
H33B H 0.673020 0.212332 0.914842 0.045 Uiso 1 1 calc R U . . .
H33C H 0.551488 0.174535 0.887076 0.045 Uiso 1 1 calc R U . . .
C34 C 0.7307(3) 0.13645(19) 0.7962(2) 0.0277(9) Uani 1 1 d . . . . .
H34A H 0.682828 0.096195 0.799307 0.042 Uiso 1 1 calc R U . . .
H34B H 0.798860 0.136760 0.831560 0.042 Uiso 1 1 calc R U . . .
H34C H 0.758398 0.136014 0.755326 0.042 Uiso 1 1 calc R U . . .
C35 C 0.3109(3) 0.44915(17) 0.61269(16) 0.0194(7) Uani 1 1 d . . . . .
C36 C 0.4066(3) 0.49135(18) 0.61098(18) 0.0222(8) Uani 1 1 d . . . . .
H36 H 0.466838 0.494884 0.648035 0.027 Uiso 1 1 calc R U . . .
C37 C 0.4172(3) 0.52856(19) 0.55694(18) 0.0259(8) Uani 1 1 d . . . . .
H37 H 0.483580 0.557116 0.557565 0.031 Uiso 1 1 calc R U . . .
C38 C 0.3309(4) 0.5240(2) 0.50222(18) 0.0294(9) Uani 1 1 d . . . . .
H38 H 0.335764 0.550233 0.465431 0.035 Uiso 1 1 calc R U . . .
C39 C 0.2378(4) 0.4804(2) 0.50242(18) 0.0284(9) Uani 1 1 d . . . . .
H39 H 0.179620 0.476284 0.464514 0.034 Uiso 1 1 calc R U . . .
C40 C 0.2248(3) 0.44186(18) 0.55572(17) 0.0242(8) Uani 1 1 d . . . . .
C41 C 0.1242(3) 0.3959(2) 0.54859(19) 0.0290(9) Uani 1 1 d . . . . .
H41 H 0.096693 0.378644 0.506761 0.035 Uiso 1 1 calc R U . . .
C42 C 0.0669(3) 0.3754(2) 0.5936(2) 0.0299(9) Uani 1 1 d . . . . .
H42 H 0.002486 0.345555 0.580195 0.036 Uiso 1 1 calc R U . . .
C43 C 0.0911(3) 0.39318(18) 0.66108(18) 0.0225(8) Uani 1 1 d . . . . .
C44 C -0.0052(3) 0.3914(2) 0.6928(2) 0.0301(9) Uani 1 1 d . . . . .
H44 H -0.081165 0.381011 0.668632 0.036 Uiso 1 1 calc R U . . .
C45 C 0.0052(3) 0.4039(2) 0.7570(2) 0.0307(9) Uani 1 1 d . . . . .
H45 H -0.062483 0.404612 0.776597 0.037 Uiso 1 1 calc R U . . .
C46 C 0.1162(3) 0.4155(2) 0.7922(2) 0.0289(9) Uani 1 1 d . . . . .
H46 H 0.126199 0.422220 0.837179 0.035 Uiso 1 1 calc R U . . .
C47 C 0.2137(3) 0.41734(19) 0.76253(18) 0.0245(8) Uani 1 1 d . . . . .
H47 H 0.289518 0.425242 0.787946 0.029 Uiso 1 1 calc R U . . .
C48 C 0.2045(3) 0.40810(17) 0.69708(17) 0.0192(7) Uani 1 1 d . . . . .
C49 C 0.5080(3) 0.4142(2) 0.84986(17) 0.0264(9) Uani 1 1 d . . . . .
H49A H 0.432652 0.415539 0.864869 0.040 Uiso 1 1 calc R U . . .
H49B H 0.567544 0.439775 0.879373 0.040 Uiso 1 1 calc R U . . .
H49C H 0.534037 0.367296 0.848186 0.040 Uiso 1 1 calc R U . . .
C50 C 0.6455(3) 0.47058(19) 0.75917(18) 0.0223(8) Uani 1 1 d . . . . .
H50A H 0.686606 0.428030 0.754974 0.033 Uiso 1 1 calc R U . . .
H50B H 0.685964 0.494702 0.797265 0.033 Uiso 1 1 calc R U . . .
H50C H 0.645817 0.498373 0.721091 0.033 Uiso 1 1 calc R U . . .
C51 C 0.4120(3) 0.53593(19) 0.76712(18) 0.0264(9) Uani 1 1 d . . . . .
H51A H 0.460877 0.571198 0.752964 0.040 Uiso 1 1 calc R U . . .
H51B H 0.399671 0.546187 0.810477 0.040 Uiso 1 1 calc R U . . .
H51C H 0.335461 0.534000 0.737860 0.040 Uiso 1 1 calc R U . . .
Si4 Si 1.03325(8) 0.77694(5) 0.98676(4) 0.01395(19) Uani 1 1 d . . . . .
Si5 Si 0.81584(8) 0.71710(5) 0.70691(4) 0.01407(19) Uani 1 1 d . . . . .
Si6 Si 1.02187(8) 0.93094(5) 0.72561(4) 0.01478(19) Uani 1 1 d . . . . .
Li4 Li 0.9877(5) 0.8546(3) 0.8627(3) 0.0212(13) Uani 1 1 d . . . . .
Li5 Li 1.0690(5) 0.7722(3) 0.7628(3) 0.0202(12) Uani 1 1 d . . . . .
Li6 Li 0.9438(5) 0.7099(3) 0.8548(3) 0.0221(13) Uani 1 1 d . . . . .
N7 N 0.8238(2) 0.79364(13) 0.94247(12) 0.0134(6) Uani 1 1 d . . . . .
N8 N 0.9316(2) 0.78275(14) 0.91516(12) 0.0136(6) Uani 1 1 d . . . . .
N9 N 0.9755(2) 0.63004(14) 0.75081(13) 0.0150(6) Uani 1 1 d . . . . .
N10 N 0.9446(2) 0.70236(13) 0.76129(13) 0.0143(6) Uani 1 1 d . . . . .
N11 N 1.1837(2) 0.88160(14) 0.82751(13) 0.0127(6) Uani 1 1 d . . . . .
N12 N 1.0671(2) 0.87154(14) 0.78700(12) 0.0131(6) Uani 1 1 d . . . . .
C52 C 0.7408(3) 0.74018(16) 0.93790(16) 0.0152(7) Uani 1 1 d . . . . .
C53 C 0.7232(3) 0.69469(17) 0.88705(16) 0.0174(7) Uani 1 1 d . . . . .
H53 H 0.764884 0.700566 0.852902 0.021 Uiso 1 1 calc R U . . .
C54 C 0.6456(3) 0.64097(18) 0.88553(18) 0.0225(8) Uani 1 1 d . . . . .
H54 H 0.634977 0.610239 0.850657 0.027 Uiso 1 1 calc R U . . .
C55 C 0.5833(3) 0.63206(19) 0.93511(19) 0.0256(8) Uani 1 1 d . . . . .
H55 H 0.529720 0.595530 0.934261 0.031 Uiso 1 1 calc R U . . .
C56 C 0.6005(3) 0.67689(19) 0.98529(18) 0.0242(8) Uani 1 1 d . . . . .
H56 H 0.558730 0.670345 1.019335 0.029 Uiso 1 1 calc R U . . .
C57 C 0.6771(3) 0.73162(17) 0.98794(16) 0.0177(7) Uani 1 1 d . . . . .
C58 C 0.6897(3) 0.7784(2) 1.04243(16) 0.0223(8) Uani 1 1 d . . . . .
H58 H 0.682122 0.759422 1.082491 0.027 Uiso 1 1 calc R U . . .
C59 C 0.7103(3) 0.84398(19) 1.04196(17) 0.0203(8) Uani 1 1 d . . . . .
H59 H 0.716973 0.866739 1.081792 0.024 Uiso 1 1 calc R U . . .
C60 C 0.7239(3) 0.88524(18) 0.98682(16) 0.0171(7) Uani 1 1 d . . . . .
C61 C 0.6861(3) 0.95210(19) 0.98333(18) 0.0234(8) Uani 1 1 d . . . . .
H61 H 0.653965 0.970171 1.017735 0.028 Uiso 1 1 calc R U . . .
C62 C 0.6937(3) 0.99307(18) 0.93170(19) 0.0262(9) Uani 1 1 d . . . . .
H62 H 0.668035 1.038616 0.930889 0.031 Uiso 1 1 calc R U . . .
C63 C 0.7396(3) 0.96654(19) 0.88092(18) 0.0248(8) Uani 1 1 d . . . . .
H63 H 0.744309 0.993801 0.844755 0.030 Uiso 1 1 calc R U . . .
C64 C 0.7784(3) 0.90033(17) 0.88312(16) 0.0173(7) Uani 1 1 d . . . . .
H64 H 0.808641 0.882399 0.848014 0.021 Uiso 1 1 calc R U . . .
C65 C 0.7736(3) 0.85930(17) 0.93643(16) 0.0151(7) Uani 1 1 d . . . . .
C66 C 1.1807(3) 0.76327(18) 0.96393(17) 0.0207(8) Uani 1 1 d . . . . .
H66A H 1.197420 0.714858 0.963531 0.031 Uiso 1 1 calc R U . . .
H66B H 1.242056 0.785707 0.995068 0.031 Uiso 1 1 calc R U . . .
H66C H 1.179913 0.782083 0.921224 0.031 Uiso 1 1 calc R U . . .
C67 C 1.0053(3) 0.70413(18) 1.03788(16) 0.0221(8) Uani 1 1 d . . . . .
H67A H 0.928969 0.710231 1.051186 0.033 Uiso 1 1 calc R U . . .
H67B H 1.068231 0.701807 1.075859 0.033 Uiso 1 1 calc R U . . .
H67C H 1.003999 0.662219 1.013371 0.033 Uiso 1 1 calc R U . . .
C68 C 1.0424(3) 0.85562(19) 1.03617(17) 0.0218(8) Uani 1 1 d . . . . .
H68A H 1.061047 0.893973 1.010761 0.033 Uiso 1 1 calc R U . . .
H68B H 1.104561 0.850555 1.074236 0.033 Uiso 1 1 calc R U . . .
H68C H 0.966454 0.863480 1.049350 0.033 Uiso 1 1 calc R U . . .
C69 C 1.0557(3) 0.62167(17) 0.70717(16) 0.0161(7) Uani 1 1 d . . . . .
C70 C 1.0145(3) 0.58464(18) 0.65227(17) 0.0217(8) Uani 1 1 d . . . . .
H70 H 0.941152 0.561580 0.648009 0.026 Uiso 1 1 calc R U . . .
C71 C 1.0791(4) 0.58080(19) 0.60338(18) 0.0268(9) Uani 1 1 d . . . . .
H71 H 1.050485 0.555042 0.566028 0.032 Uiso 1 1 calc R U . . .
C72 C 1.1851(4) 0.6146(2) 0.60946(18) 0.0274(9) Uani 1 1 d . . . . .
H72 H 1.227432 0.614236 0.575149 0.033 Uiso 1 1 calc R U . . .
C73 C 1.2300(3) 0.64892(18) 0.66476(18) 0.0226(8) Uani 1 1 d . . . . .
H73 H 1.303533 0.671671 0.668388 0.027 Uiso 1 1 calc R U . . .
C74 C 1.1685(3) 0.65092(16) 0.71642(16) 0.0167(7) Uani 1 1 d . . . . .
C75 C 1.2296(3) 0.67661(16) 0.77802(16) 0.0171(7) Uani 1 1 d . . . . .
H75 H 1.289852 0.709030 0.776951 0.020 Uiso 1 1 calc R U . . .
C76 C 1.2096(3) 0.65927(17) 0.83618(16) 0.0179(7) Uani 1 1 d . . . . .
H76 H 1.260128 0.679832 0.871394 0.021 Uiso 1 1 calc R U . . .
C77 C 1.1214(3) 0.61339(16) 0.85281(16) 0.0161(7) Uani 1 1 d . . . . .
C78 C 1.1447(3) 0.58132(18) 0.91267(17) 0.0213(8) Uani 1 1 d . . . . .
H78 H 1.216580 0.590905 0.941226 0.026 Uiso 1 1 calc R U . . .
C79 C 1.0660(3) 0.53608(18) 0.93144(18) 0.0232(8) Uani 1 1 d . . . . .
H79 H 1.084281 0.514962 0.972203 0.028 Uiso 1 1 calc R U . . .
C80 C 0.9602(3) 0.52180(18) 0.89023(18) 0.0239(8) Uani 1 1 d . . . . .
H80 H 0.905806 0.490748 0.902532 0.029 Uiso 1 1 calc R U . . .
C81 C 0.9349(3) 0.55324(17) 0.83107(18) 0.0212(8) Uani 1 1 d . . . . .
H81 H 0.862118 0.543746 0.803239 0.025 Uiso 1 1 calc R U . . .
C82 C 1.0131(3) 0.59822(16) 0.81144(16) 0.0152(7) Uani 1 1 d . . . . .
C83 C 0.6939(3) 0.65514(18) 0.70993(17) 0.0206(8) Uani 1 1 d . . . . .
H83A H 0.725134 0.609186 0.710228 0.031 Uiso 1 1 calc R U . . .
H83B H 0.631181 0.661215 0.672270 0.031 Uiso 1 1 calc R U . . .
H83C H 0.661641 0.662681 0.748860 0.031 Uiso 1 1 calc R U . . .
C84 C 0.7654(3) 0.80210(17) 0.72844(16) 0.0178(7) Uani 1 1 d . . . . .
H84A H 0.728514 0.798268 0.766243 0.027 Uiso 1 1 calc R U . . .
H84B H 0.707865 0.820065 0.692510 0.027 Uiso 1 1 calc R U . . .
H84C H 0.833450 0.832553 0.737860 0.027 Uiso 1 1 calc R U . . .
C85 C 0.8342(3) 0.7176(2) 0.62077(16) 0.0231(8) Uani 1 1 d . . . . .
H85A H 0.907639 0.741023 0.617223 0.035 Uiso 1 1 calc R U . . .
H85B H 0.767068 0.740943 0.594639 0.035 Uiso 1 1 calc R U . . .
H85C H 0.837547 0.671139 0.605609 0.035 Uiso 1 1 calc R U . . .
C86 C 1.1884(3) 0.92925(17) 0.87790(15) 0.0148(7) Uani 1 1 d . . . . .
C87 C 1.0918(3) 0.97238(17) 0.87701(16) 0.0176(7) Uani 1 1 d . . . . .
H87 H 1.026642 0.968946 0.842388 0.021 Uiso 1 1 calc R U . . .
C88 C 1.0868(3) 1.02005(18) 0.92451(16) 0.0220(8) Uani 1 1 d . . . . .
H88 H 1.019251 1.048171 0.921683 0.026 Uiso 1 1 calc R U . . .
C89 C 1.1784(4) 1.0266(2) 0.97512(17) 0.0259(8) Uani 1 1 d . . . . .
H89 H 1.177586 1.060172 1.006850 0.031 Uiso 1 1 calc R U . . .
C90 C 1.2727(3) 0.98253(19) 0.97867(17) 0.0243(8) Uani 1 1 d . . . . .
H90 H 1.335595 0.986000 1.014475 0.029 Uiso 1 1 calc R U . . .
C91 C 1.2807(3) 0.93355(18) 0.93295(16) 0.0180(7) Uani 1 1 d . . . . .
C92 C 1.3815(3) 0.88851(19) 0.94777(17) 0.0235(8) Uani 1 1 d . . . . .
H92 H 1.421130 0.888711 0.991183 0.028 Uiso 1 1 calc R U . . .
C93 C 1.4263(3) 0.84712(19) 0.90949(18) 0.0228(8) Uani 1 1 d . . . . .
H93 H 1.490440 0.820040 0.929877 0.027 Uiso 1 1 calc R U . . .
C94 C 1.3911(3) 0.83730(17) 0.84064(17) 0.0188(7) Uani 1 1 d . . . . .
C95 C 1.4753(3) 0.80619(18) 0.81078(18) 0.0233(8) Uani 1 1 d . . . . .
H95 H 1.548398 0.793342 0.836663 0.028 Uiso 1 1 calc R U . . .
C96 C 1.4587(3) 0.79305(17) 0.74598(19) 0.0229(8) Uani 1 1 d . . . . .
H96 H 1.518061 0.771553 0.727618 0.027 Uiso 1 1 calc R U . . .
C97 C 1.3528(3) 0.81226(17) 0.70898(17) 0.0193(7) Uani 1 1 d . . . . .
H97 H 1.339009 0.804803 0.664050 0.023 Uiso 1 1 calc R U . . .
C98 C 1.2653(3) 0.84266(16) 0.73687(16) 0.0157(7) Uani 1 1 d . . . . .
H98 H 1.192567 0.854783 0.710270 0.019 Uiso 1 1 calc R U . . .
C99 C 1.2812(3) 0.85585(16) 0.80263(16) 0.0136(7) Uani 1 1 d . . . . .
C100 C 0.9780(3) 0.88677(19) 0.64619(16) 0.0216(8) Uani 1 1 d . . . . .
H10A H 1.025503 0.845852 0.645954 0.032 Uiso 1 1 calc R U . . .
H10B H 0.991469 0.916844 0.611712 0.032 Uiso 1 1 calc R U . . .
H10C H 0.894064 0.874670 0.639638 0.032 Uiso 1 1 calc R U . . .
C101 C 0.8847(3) 0.98010(18) 0.73251(18) 0.0230(8) Uani 1 1 d . . . . .
H10D H 0.826804 0.949908 0.746165 0.034 Uiso 1 1 calc R U . . .
H10E H 0.850815 0.999772 0.690832 0.034 Uiso 1 1 calc R U . . .
H10F H 0.905213 1.016169 0.764133 0.034 Uiso 1 1 calc R U . . .
C102 C 1.1369(3) 0.99527(18) 0.71824(18) 0.0223(8) Uani 1 1 d . . . . .
H10G H 1.167140 1.015062 0.760364 0.033 Uiso 1 1 calc R U . . .
H10H H 1.102058 1.030752 0.688549 0.033 Uiso 1 1 calc R U . . .
H10I H 1.201960 0.973768 0.701948 0.033 Uiso 1 1 calc R U . . .
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'
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'
Si Si 0.0817 0.0704 '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'
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
Li1 Si1 Li3 60.12(18) . . ?
N2 Si1 C15 112.90(16) . . ?
N2 Si1 C16 112.93(16) . . ?
N2 Si1 C17 104.84(15) . . ?
C15 Si1 Li1 94.10(18) . . ?
C15 Si1 Li3 151.99(18) . . ?
C15 Si1 C17 108.21(18) . . ?
C16 Si1 Li1 151.15(18) . . ?
C16 Si1 Li3 94.00(18) . . ?
C16 Si1 C15 107.70(17) . . ?
C16 Si1 C17 110.16(17) . . ?
C17 Si1 Li1 79.31(17) . . ?
C17 Si1 Li3 79.38(17) . . ?
Li1 Si2 Li2 59.08(17) . . ?
N4 Si2 C32 107.27(16) . . ?
N4 Si2 C33 114.12(16) . . ?
N4 Si2 C34 112.80(17) . . ?
C32 Si2 Li1 83.16(17) . . ?
C32 Si2 Li2 87.54(17) . . ?
C33 Si2 Li1 150.83(18) . . ?
C33 Si2 Li2 93.98(18) . . ?
C33 Si2 C32 108.48(18) . . ?
C33 Si2 C34 106.51(19) . . ?
C34 Si2 Li1 94.62(18) . . ?
C34 Si2 Li2 148.60(18) . . ?
C34 Si2 C32 107.41(17) . . ?
N6 Si3 C49 110.94(16) . . ?
N6 Si3 C50 110.99(15) . . ?
N6 Si3 C51 115.45(16) . . ?
C49 Si3 Li2 76.33(17) . . ?
C50 Si3 Li2 111.72(16) . . ?
C50 Si3 C49 102.23(17) . . ?
C51 Si3 Li2 138.62(17) . . ?
C51 Si3 C49 109.34(18) . . ?
C51 Si3 C50 107.01(17) . . ?
Si1 Li1 Si2 165.2(2) . . ?
Si1 Li1 Li2 103.9(2) . . ?
Si1 Li1 Li3 60.44(17) . . ?
Li2 Li1 Si2 61.85(17) . . ?
Li3 Li1 Si2 106.1(2) . . ?
Li3 Li1 Li2 58.9(2) . . ?
N2 Li1 Si1 34.50(14) . . ?
N2 Li1 Si2 138.8(3) . . ?
N2 Li1 Li2 100.1(3) . . ?
N2 Li1 Li3 41.72(19) . . ?
N2 Li1 N4 139.8(4) . . ?
N2 Li1 C2 74.4(2) . . ?
N4 Li1 Si1 137.6(3) . . ?
N4 Li1 Si2 32.52(14) . . ?
N4 Li1 Li2 40.17(19) . . ?
N4 Li1 Li3 98.0(3) . . ?
N4 Li1 C2 128.5(3) . . ?
C2 Li1 Si1 93.2(2) . . ?
C2 Li1 Si2 96.1(2) . . ?
C2 Li1 Li2 140.3(3) . . ?
C2 Li1 Li3 102.5(2) . . ?
Si3 Li2 Si2 108.60(19) . . ?
Li1 Li2 Si2 59.08(17) . . ?
Li1 Li2 Si3 114.6(2) . . ?
Li3 Li2 Si2 104.3(2) . . ?
Li3 Li2 Si3 64.98(18) . . ?
Li3 Li2 Li1 59.3(2) . . ?
N4 Li2 Si2 30.76(13) . . ?
N4 Li2 Si3 133.6(3) . . ?
N4 Li2 Li1 39.42(18) . . ?
N4 Li2 Li3 97.8(3) . . ?
N4 Li2 C19 82.5(2) . . ?
N6 Li2 Si2 128.4(3) . . ?
N6 Li2 Si3 30.95(13) . . ?
N6 Li2 Li1 102.1(3) . . ?
N6 Li2 Li3 43.11(19) . . ?
N6 Li2 N4 138.1(3) . . ?
N6 Li2 C19 130.1(3) . . ?
C19 Li2 Si2 101.3(2) . . ?
C19 Li2 Si3 142.7(3) . . ?
C19 Li2 Li1 99.6(3) . . ?
C19 Li2 Li3 128.2(3) . . ?
Li1 Li3 Si1 59.45(17) . . ?
Li2 Li3 Si1 105.3(2) . . ?
Li2 Li3 Li1 61.7(2) . . ?
N2 Li3 Si1 34.28(13) . . ?
N2 Li3 Li1 40.29(19) . . ?
N2 Li3 Li2 101.5(3) . . ?
N2 Li3 N5 141.5(3) . . ?
N2 Li3 N6 143.3(4) . . ?
N2 Li3 C13 74.6(2) . . ?
N2 Li3 C35 138.4(3) . . ?
N2 Li3 C36 141.4(3) . . ?
N5 Li3 Si1 113.1(2) . . ?
N5 Li3 Li1 115.6(3) . . ?
N5 Li3 Li2 60.57(19) . . ?
N5 Li3 C13 141.4(3) . . ?
N5 Li3 C35 31.86(12) . . ?
N5 Li3 C36 56.51(17) . . ?
N6 Li3 Si1 137.1(3) . . ?
N6 Li3 Li1 103.2(3) . . ?
N6 Li3 Li2 41.81(19) . . ?
N6 Li3 N5 34.68(14) . . ?
N6 Li3 C13 130.3(3) . . ?
N6 Li3 C35 61.8(2) . . ?
N6 Li3 C36 73.6(2) . . ?
C13 Li3 Si1 92.56(19) . . ?
C13 Li3 Li1 102.0(2) . . ?
C13 Li3 Li2 141.5(3) . . ?
C35 Li3 Si1 104.3(2) . . ?
C35 Li3 Li1 139.5(3) . . ?
C35 Li3 Li2 92.3(2) . . ?
C35 Li3 C13 116.4(3) . . ?
C36 Li3 Si1 116.4(2) . . ?
C36 Li3 Li1 170.2(3) . . ?
C36 Li3 Li2 113.6(3) . . ?
C36 Li3 C13 86.8(2) . . ?
C36 Li3 C35 30.81(13) . . ?
C1 N1 N2 117.2(3) . . ?
C1 N1 C14 114.8(3) . . ?
C14 N1 N2 116.1(3) . . ?
Si1 N2 Li1 106.4(2) . . ?
Si1 N2 Li3 105.5(2) . . ?
Li1 N2 Li3 98.0(3) . . ?
N1 N2 Si1 99.90(19) . . ?
N1 N2 Li1 123.5(3) . . ?
N1 N2 Li3 121.8(3) . . ?
C18 N3 N4 115.8(3) . . ?
C18 N3 C31 113.9(3) . . ?
C31 N3 N4 118.7(3) . . ?
Si2 N4 Li1 110.2(2) . . ?
Si2 N4 Li2 113.4(2) . . ?
Li1 N4 Li2 100.4(3) . . ?
N3 N4 Si2 99.32(19) . . ?
N3 N4 Li1 124.1(3) . . ?
N3 N4 Li2 110.0(3) . . ?
N6 N5 Li3 51.5(2) . . ?
C35 N5 Li3 76.4(2) . . ?
C35 N5 N6 115.2(3) . . ?
C35 N5 C48 120.7(3) . . ?
C48 N5 Li3 161.7(3) . . ?
C48 N5 N6 118.0(3) . . ?
Si3 N6 Li2 113.4(2) . . ?
Si3 N6 Li3 119.5(2) . . ?
Li2 N6 Li3 95.1(3) . . ?
N5 N6 Si3 122.3(2) . . ?
N5 N6 Li2 108.2(3) . . ?
N5 N6 Li3 93.8(3) . . ?
C2 C1 N1 122.7(3) . . ?
C2 C1 C6 118.6(3) . . ?
C6 C1 N1 118.6(3) . . ?
C1 C2 Li1 95.2(3) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 Li1 132.4(3) . . ?
C3 C2 C1 121.2(4) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.2(4) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.5 . . ?
C5 C4 C3 119.0(4) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 118.9 . . ?
C4 C5 C6 122.2(4) . . ?
C6 C5 H5 118.9 . . ?
C1 C6 C7 122.6(3) . . ?
C5 C6 C1 118.7(4) . . ?
C5 C6 C7 118.8(3) . . ?
C6 C7 H7 116.5 . . ?
C8 C7 C6 127.0(3) . . ?
C8 C7 H7 116.5 . . ?
C7 C8 H8 116.1 . . ?
C7 C8 C9 127.9(4) . . ?
C9 C8 H8 116.1 . . ?
C10 C9 C8 119.3(3) . . ?
C10 C9 C14 118.7(3) . . ?
C14 C9 C8 121.9(3) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.4(4) . . ?
C11 C10 H10 119.3 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.8(4) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 120.1 . . ?
C11 C12 C13 119.8(4) . . ?
C13 C12 H12 120.1 . . ?
C12 C13 Li3 127.3(3) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 Li3 97.0(3) . . ?
C14 C13 C12 121.4(3) . . ?
C14 C13 H13 119.3 . . ?
C9 C14 N1 118.7(3) . . ?
C13 C14 N1 122.5(3) . . ?
C13 C14 C9 118.8(3) . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C16 H16A 109.5 . . ?
Si1 C16 H16B 109.5 . . ?
Si1 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 N3 123.0(3) . . ?
C19 C18 C23 119.1(3) . . ?
C23 C18 N3 117.8(3) . . ?
Li2 C19 H19 53.7 . . ?
C18 C19 Li2 92.2(3) . . ?
C18 C19 H19 119.2 . . ?
C18 C19 C20 121.5(3) . . ?
C20 C19 Li2 122.7(3) . . ?
C20 C19 H19 119.2 . . ?
C19 C20 H20 120.1 . . ?
C21 C20 C19 119.7(4) . . ?
C21 C20 H20 120.1 . . ?
C20 C21 H21 120.2 . . ?
C20 C21 C22 119.6(3) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 119.3 . . ?
C21 C22 C23 121.5(3) . . ?
C23 C22 H22 119.3 . . ?
C18 C23 C24 122.1(3) . . ?
C22 C23 C18 118.3(3) . . ?
C22 C23 C24 119.5(3) . . ?
C23 C24 H24 116.6 . . ?
C25 C24 C23 126.8(3) . . ?
C25 C24 H24 116.6 . . ?
C24 C25 H25 116.2 . . ?
C24 C25 C26 127.6(3) . . ?
C26 C25 H25 116.2 . . ?
C27 C26 C25 119.0(3) . . ?
C27 C26 C31 118.7(3) . . ?
C31 C26 C25 122.4(3) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 C26 121.6(4) . . ?
C28 C27 H27 119.2 . . ?
C27 C28 H28 120.5 . . ?
C27 C28 C29 119.1(4) . . ?
C29 C28 H28 120.5 . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.5(4) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.8(4) . . ?
C31 C30 H30 119.6 . . ?
C26 C31 N3 117.4(3) . . ?
C30 C31 N3 123.3(3) . . ?
C30 C31 C26 119.2(3) . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si2 C34 H34A 109.5 . . ?
Si2 C34 H34B 109.5 . . ?
Si2 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N5 C35 Li3 71.7(2) . . ?
C36 C35 Li3 72.9(2) . . ?
C36 C35 N5 120.3(3) . . ?
C36 C35 C40 118.0(3) . . ?
C40 C35 Li3 121.4(3) . . ?
C40 C35 N5 121.4(3) . . ?
Li3 C36 H36 71.7 . . ?
C35 C36 Li3 76.3(2) . . ?
C35 C36 H36 118.9 . . ?
C37 C36 Li3 122.6(3) . . ?
C37 C36 C35 122.3(4) . . ?
C37 C36 H36 118.9 . . ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 120.0(4) . . ?
C38 C37 H37 120.0 . . ?
C37 C38 H38 120.8 . . ?
C39 C38 C37 118.4(4) . . ?
C39 C38 H38 120.8 . . ?
C38 C39 H39 118.4 . . ?
C38 C39 C40 123.2(4) . . ?
C40 C39 H39 118.4 . . ?
C35 C40 C41 124.4(3) . . ?
C39 C40 C35 118.2(4) . . ?
C39 C40 C41 117.4(3) . . ?
C40 C41 H41 116.2 . . ?
C42 C41 C40 127.6(4) . . ?
C42 C41 H41 116.2 . . ?
C41 C42 H42 116.2 . . ?
C41 C42 C43 127.5(4) . . ?
C43 C42 H42 116.2 . . ?
C44 C43 C42 116.4(3) . . ?
C44 C43 C48 118.6(3) . . ?
C48 C43 C42 124.9(3) . . ?
C43 C44 H44 118.5 . . ?
C45 C44 C43 123.0(4) . . ?
C45 C44 H44 118.5 . . ?
C44 C45 H45 120.9 . . ?
C44 C45 C46 118.2(4) . . ?
C46 C45 H45 120.9 . . ?
C45 C46 H46 119.8 . . ?
C45 C46 C47 120.4(4) . . ?
C47 C46 H46 119.8 . . ?
C46 C47 H47 118.8 . . ?
C48 C47 C46 122.4(3) . . ?
C48 C47 H47 118.8 . . ?
C43 C48 N5 121.4(3) . . ?
C47 C48 N5 121.1(3) . . ?
C47 C48 C43 117.3(3) . . ?
Si3 C49 H49A 109.5 . . ?
Si3 C49 H49B 109.5 . . ?
Si3 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
Si3 C50 H50A 109.5 . . ?
Si3 C50 H50B 109.5 . . ?
Si3 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
Si3 C51 H51A 109.5 . . ?
Si3 C51 H51B 109.5 . . ?
Si3 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
Li4 Si4 Li6 56.90(16) . . ?
N8 Si4 C66 106.09(14) . . ?
N8 Si4 C67 113.44(15) . . ?
N8 Si4 C68 113.14(15) . . ?
C66 Si4 Li4 82.24(16) . . ?
C66 Si4 Li6 82.36(16) . . ?
C66 Si4 C67 107.57(16) . . ?
C66 Si4 C68 107.91(17) . . ?
C67 Si4 Li4 151.87(17) . . ?
C67 Si4 Li6 97.47(17) . . ?
C67 Si4 C68 108.39(16) . . ?
C68 Si4 Li4 92.68(17) . . ?
C68 Si4 Li6 147.02(17) . . ?
N10 Si5 C83 114.88(15) . . ?
N10 Si5 C84 104.86(15) . . ?
N10 Si5 C85 114.42(15) . . ?
C83 Si5 Li5 149.90(16) . . ?
C83 Si5 C85 104.96(17) . . ?
C84 Si5 Li5 84.37(16) . . ?
C84 Si5 C83 108.30(16) . . ?
C84 Si5 C85 109.28(16) . . ?
C85 Si5 Li5 95.79(16) . . ?
N12 Si6 C100 110.17(15) . . ?
N12 Si6 C101 115.08(15) . . ?
N12 Si6 C102 113.76(15) . . ?
C100 Si6 C101 102.82(17) . . ?
C102 Si6 C100 108.55(16) . . ?
C102 Si6 C101 105.72(17) . . ?
Li5 Li4 Si4 108.5(2) . . ?
Li6 Li4 Si4 63.04(16) . . ?
Li6 Li4 Li5 59.4(2) . . ?
N8 Li4 Si4 33.42(13) . . ?
N8 Li4 Li5 100.7(3) . . ?
N8 Li4 Li6 41.92(18) . . ?
N8 Li4 N11 135.1(3) . . ?
N8 Li4 N12 143.8(3) . . ?
N8 Li4 C64 75.9(2) . . ?
N8 Li4 C86 133.0(3) . . ?
N8 Li4 C87 139.8(3) . . ?
N11 Li4 Si4 110.1(2) . . ?
N11 Li4 Li5 59.55(18) . . ?
N11 Li4 Li6 110.0(2) . . ?
N11 Li4 C64 147.4(3) . . ?
N11 Li4 C86 31.10(11) . . ?
N11 Li4 C87 55.84(16) . . ?
N12 Li4 Si4 138.6(3) . . ?
N12 Li4 Li5 43.26(18) . . ?
N12 Li4 Li6 102.5(3) . . ?
N12 Li4 N11 34.82(13) . . ?
N12 Li4 C64 128.8(3) . . ?
N12 Li4 C86 60.12(18) . . ?
N12 Li4 C87 71.3(2) . . ?
C64 Li4 Si4 92.61(18) . . ?
C64 Li4 Li5 135.7(3) . . ?
C64 Li4 Li6 101.0(2) . . ?
C64 Li4 C86 124.5(2) . . ?
C86 Li4 Si4 99.8(2) . . ?
C86 Li4 Li5 90.6(2) . . ?
C86 Li4 Li6 132.8(3) . . ?
C87 Li4 Si4 110.7(2) . . ?
C87 Li4 Li5 112.1(2) . . ?
C87 Li4 Li6 163.0(3) . . ?
C87 Li4 C64 94.9(2) . . ?
C87 Li4 C86 30.41(12) . . ?
Li4 Li5 Si5 93.88(19) . . ?
Li6 Li5 Si5 64.15(16) . . ?
Li6 Li5 Li4 59.4(2) . . ?
N10 Li5 Si5 30.02(12) . . ?
N10 Li5 Li4 94.2(2) . . ?
N10 Li5 Li6 43.09(18) . . ?
N10 Li5 N12 129.5(3) . . ?
N10 Li5 C75 89.3(2) . . ?
N12 Li5 Si5 112.3(2) . . ?
N12 Li5 Li4 42.84(17) . . ?
N12 Li5 Li6 102.2(3) . . ?
N12 Li5 C75 135.1(3) . . ?
C75 Li5 Si5 112.2(2) . . ?
C75 Li5 Li4 128.3(3) . . ?
C75 Li5 Li6 92.1(2) . . ?
Li4 Li6 Si4 60.06(17) . . ?
Li5 Li6 Si4 107.6(2) . . ?
Li5 Li6 Li4 61.2(2) . . ?
N8 Li6 Si4 30.89(12) . . ?
N8 Li6 Li4 42.87(19) . . ?
N8 Li6 Li5 103.4(3) . . ?
N8 Li6 N10 136.4(4) . . ?
N8 Li6 C53 74.7(2) . . ?
N8 Li6 C82 159.0(3) . . ?
N10 Li6 Si4 150.5(3) . . ?
N10 Li6 Li4 95.6(3) . . ?
N10 Li6 Li5 42.95(18) . . ?
N10 Li6 C53 114.5(3) . . ?
N10 Li6 C82 61.37(19) . . ?
C53 Li6 Si4 89.28(18) . . ?
C53 Li6 Li4 104.5(2) . . ?
C53 Li6 Li5 143.6(3) . . ?
C82 Li6 Si4 128.2(2) . . ?
C82 Li6 Li4 143.5(3) . . ?
C82 Li6 Li5 84.3(2) . . ?
C82 Li6 C53 110.7(2) . . ?
C52 N7 N8 117.9(2) . . ?
C52 N7 C65 115.0(3) . . ?
C65 N7 N8 117.0(2) . . ?
Si4 N8 Li4 107.6(2) . . ?
Si4 N8 Li6 113.9(2) . . ?
Li6 N8 Li4 95.2(3) . . ?
N7 N8 Si4 98.22(17) . . ?
N7 N8 Li4 119.9(3) . . ?
N7 N8 Li6 122.2(3) . . ?
C69 N9 N10 113.9(2) . . ?
C82 N9 N10 109.2(2) . . ?
C82 N9 C69 114.2(3) . . ?
Si5 N10 Li5 114.8(2) . . ?
Si5 N10 Li6 119.4(2) . . ?
Li5 N10 Li6 94.0(3) . . ?
N9 N10 Si5 105.08(19) . . ?
N9 N10 Li5 118.5(3) . . ?
N9 N10 Li6 105.3(3) . . ?
N12 N11 Li4 51.95(19) . . ?
C86 N11 Li4 80.3(2) . . ?
C86 N11 N12 115.8(2) . . ?
C86 N11 C99 126.7(3) . . ?
C99 N11 Li4 146.4(2) . . ?
C99 N11 N12 115.6(2) . . ?
Si6 N12 Li4 125.8(2) . . ?
Si6 N12 Li5 118.4(2) . . ?
Li4 N12 Li5 93.9(3) . . ?
N11 N12 Si6 117.1(2) . . ?
N11 N12 Li4 93.2(2) . . ?
N11 N12 Li5 103.2(2) . . ?
C53 C52 N7 122.4(3) . . ?
C53 C52 C57 119.1(3) . . ?
C57 C52 N7 118.5(3) . . ?
C52 C53 Li6 96.6(2) . . ?
C52 C53 H53 119.5 . . ?
C54 C53 Li6 134.0(3) . . ?
C54 C53 C52 121.0(3) . . ?
C54 C53 H53 119.5 . . ?
C53 C54 H54 120.0 . . ?
C53 C54 C55 120.0(3) . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 120.5 . . ?
C56 C55 C54 119.0(3) . . ?
C56 C55 H55 120.5 . . ?
C55 C56 H56 118.9 . . ?
C55 C56 C57 122.3(3) . . ?
C57 C56 H56 118.9 . . ?
C52 C57 C58 122.0(3) . . ?
C56 C57 C52 118.6(3) . . ?
C56 C57 C58 119.5(3) . . ?
C57 C58 H58 116.3 . . ?
C59 C58 C57 127.3(3) . . ?
C59 C58 H58 116.3 . . ?
C58 C59 H59 116.5 . . ?
C58 C59 C60 127.1(3) . . ?
C60 C59 H59 116.5 . . ?
C61 C60 C59 119.7(3) . . ?
C61 C60 C65 118.4(3) . . ?
C65 C60 C59 121.8(3) . . ?
C60 C61 H61 118.8 . . ?
C62 C61 C60 122.5(3) . . ?
C62 C61 H61 118.8 . . ?
C61 C62 H62 120.5 . . ?
C61 C62 C63 118.9(3) . . ?
C63 C62 H62 120.5 . . ?
C62 C63 H63 120.0 . . ?
C64 C63 C62 120.0(3) . . ?
C64 C63 H63 120.0 . . ?
C63 C64 Li4 127.5(3) . . ?
C63 C64 H64 119.5 . . ?
C63 C64 C65 121.0(3) . . ?
C65 C64 Li4 96.1(2) . . ?
C65 C64 H64 119.5 . . ?
C60 C65 N7 119.0(3) . . ?
C60 C65 C64 119.1(3) . . ?
C64 C65 N7 121.8(3) . . ?
Si4 C66 H66A 109.5 . . ?
Si4 C66 H66B 109.5 . . ?
Si4 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
Si4 C67 H67A 109.5 . . ?
Si4 C67 H67B 109.5 . . ?
Si4 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
Si4 C68 H68A 109.5 . . ?
Si4 C68 H68B 109.5 . . ?
Si4 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 N9 116.5(3) . . ?
C70 C69 C74 120.0(3) . . ?
C74 C69 N9 123.5(3) . . ?
C69 C70 H70 119.6 . . ?
C69 C70 C71 120.8(4) . . ?
C71 C70 H70 119.6 . . ?
C70 C71 H71 120.2 . . ?
C72 C71 C70 119.5(3) . . ?
C72 C71 H71 120.2 . . ?
C71 C72 H72 119.8 . . ?
C73 C72 C71 120.4(3) . . ?
C73 C72 H72 119.8 . . ?
C72 C73 H73 119.5 . . ?
C72 C73 C74 121.0(4) . . ?
C74 C73 H73 119.5 . . ?
C69 C74 C73 117.7(3) . . ?
C69 C74 C75 123.3(3) . . ?
C73 C74 C75 118.7(3) . . ?
Li5 C75 H75 90.5 . . ?
C74 C75 Li5 86.1(2) . . ?
C74 C75 H75 116.6 . . ?
C76 C75 Li5 93.4(3) . . ?
C76 C75 C74 126.9(3) . . ?
C76 C75 H75 116.6 . . ?
C75 C76 H76 115.4 . . ?
C75 C76 C77 129.1(3) . . ?
C77 C76 H76 115.4 . . ?
C78 C77 C76 118.7(3) . . ?
C78 C77 C82 117.6(3) . . ?
C82 C77 C76 123.7(3) . . ?
C77 C78 H78 119.0 . . ?
C79 C78 C77 122.0(3) . . ?
C79 C78 H78 119.0 . . ?
C78 C79 H79 120.2 . . ?
C78 C79 C80 119.6(3) . . ?
C80 C79 H79 120.2 . . ?
C79 C80 H80 120.3 . . ?
C81 C80 C79 119.4(3) . . ?
C81 C80 H80 120.3 . . ?
C80 C81 H81 119.2 . . ?
C80 C81 C82 121.7(3) . . ?
C82 C81 H81 119.2 . . ?
N9 C82 Li6 83.2(2) . . ?
C77 C82 Li6 83.8(2) . . ?
C77 C82 N9 123.3(3) . . ?
C81 C82 Li6 100.6(3) . . ?
C81 C82 N9 116.9(3) . . ?
C81 C82 C77 119.7(3) . . ?
Si5 C83 H83A 109.5 . . ?
Si5 C83 H83B 109.5 . . ?
Si5 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
Si5 C84 H84A 109.5 . . ?
Si5 C84 H84B 109.5 . . ?
Si5 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
Si5 C85 H85A 109.5 . . ?
Si5 C85 H85B 109.5 . . ?
Si5 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
N11 C86 Li4 68.6(2) . . ?
N11 C86 C91 125.1(3) . . ?
C87 C86 Li4 71.0(2) . . ?
C87 C86 N11 118.5(3) . . ?
C87 C86 C91 116.2(3) . . ?
C91 C86 Li4 128.1(2) . . ?
Li4 C87 H87 64.4 . . ?
C86 C87 Li4 78.6(2) . . ?
C86 C87 H87 118.5 . . ?
C88 C87 Li4 127.6(3) . . ?
C88 C87 C86 123.1(3) . . ?
C88 C87 H87 118.5 . . ?
C87 C88 H88 119.8 . . ?
C89 C88 C87 120.3(4) . . ?
C89 C88 H88 119.8 . . ?
C88 C89 H89 121.1 . . ?
C88 C89 C90 117.8(3) . . ?
C90 C89 H89 121.1 . . ?
C89 C90 H90 118.1 . . ?
C89 C90 C91 123.9(3) . . ?
C91 C90 H90 118.1 . . ?
C86 C91 C92 125.7(3) . . ?
C90 C91 C86 118.5(3) . . ?
C90 C91 C92 115.7(3) . . ?
C91 C92 H92 115.3 . . ?
C93 C92 C91 129.4(3) . . ?
C93 C92 H92 115.3 . . ?
C92 C93 H93 115.4 . . ?
C92 C93 C94 129.2(3) . . ?
C94 C93 H93 115.4 . . ?
C95 C94 C93 115.4(3) . . ?
C95 C94 C99 118.5(3) . . ?
C99 C94 C93 126.1(3) . . ?
C94 C95 H95 118.0 . . ?
C96 C95 C94 123.9(3) . . ?
C96 C95 H95 118.0 . . ?
C95 C96 H96 121.3 . . ?
C97 C96 C95 117.5(3) . . ?
C97 C96 H96 121.3 . . ?
C96 C97 H97 119.7 . . ?
C96 C97 C98 120.6(3) . . ?
C98 C97 H97 119.7 . . ?
C97 C98 H98 118.8 . . ?
C97 C98 C99 122.3(3) . . ?
C99 C98 H98 118.8 . . ?
C94 C99 N11 124.4(3) . . ?
C98 C99 N11 118.3(3) . . ?
C98 C99 C94 117.2(3) . . ?
Si6 C100 H10A 109.5 . . ?
Si6 C100 H10B 109.5 . . ?
Si6 C100 H10C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
Si6 C101 H10D 109.5 . . ?
Si6 C101 H10E 109.5 . . ?
Si6 C101 H10F 109.5 . . ?
H10D C101 H10E 109.5 . . ?
H10D C101 H10F 109.5 . . ?
H10E C101 H10F 109.5 . . ?
Si6 C102 H10G 109.5 . . ?
Si6 C102 H10H 109.5 . . ?
Si6 C102 H10I 109.5 . . ?
H10G C102 H10H 109.5 . . ?
H10G C102 H10I 109.5 . . ?
H10H C102 H10I 109.5 . . ?
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 Li1 2.940(7) . ?
Si1 Li3 2.969(6) . ?
Si1 N2 1.736(3) . ?
Si1 C15 1.873(4) . ?
Si1 C16 1.866(4) . ?
Si1 C17 1.877(4) . ?
Si2 Li1 3.031(6) . ?
Si2 Li2 3.115(6) . ?
Si2 N4 1.736(3) . ?
Si2 C32 1.884(4) . ?
Si2 C33 1.870(4) . ?
Si2 C34 1.875(4) . ?
Si3 Li2 3.105(6) . ?
Si3 N6 1.740(3) . ?
Si3 C49 1.890(4) . ?
Si3 C50 1.882(4) . ?
Si3 C51 1.873(4) . ?
Li1 Li2 3.031(9) . ?
Li1 Li3 2.960(9) . ?
Li1 N2 1.933(7) . ?
Li1 N4 1.957(7) . ?
Li1 C2 2.775(7) . ?
Li2 Li3 2.946(9) . ?
Li2 N4 1.987(7) . ?
Li2 N6 1.972(7) . ?
Li2 C19 2.429(7) . ?
Li3 N2 1.989(7) . ?
Li3 N5 2.576(7) . ?
Li3 N6 2.022(7) . ?
Li3 C13 2.708(7) . ?
Li3 C35 2.637(7) . ?
Li3 C36 2.594(7) . ?
N1 N2 1.479(4) . ?
N1 C1 1.421(4) . ?
N1 C14 1.427(4) . ?
N3 N4 1.482(4) . ?
N3 C18 1.419(4) . ?
N3 C31 1.425(4) . ?
N5 N6 1.469(4) . ?
N5 C35 1.432(4) . ?
N5 C48 1.434(4) . ?
C1 C2 1.397(5) . ?
C1 C6 1.413(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.386(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.393(6) . ?
C6 C7 1.464(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.334(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.463(5) . ?
C9 C10 1.398(5) . ?
C9 C14 1.410(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.375(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.378(6) . ?
C12 H12 0.9500 . ?
C12 C13 1.388(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.384(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.386(5) . ?
C18 C23 1.407(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.387(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.375(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.389(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.398(5) . ?
C23 C24 1.463(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.338(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.466(5) . ?
C26 C27 1.396(5) . ?
C26 C31 1.403(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.378(6) . ?
C28 H28 0.9500 . ?
C28 C29 1.388(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.375(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.396(5) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.390(5) . ?
C35 C40 1.422(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.390(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.384(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.379(6) . ?
C39 H39 0.9500 . ?
C39 C40 1.397(5) . ?
C40 C41 1.460(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.324(6) . ?
C42 H42 0.9500 . ?
C42 C43 1.453(5) . ?
C43 C44 1.403(5) . ?
C43 C48 1.416(5) . ?
C44 H44 0.9500 . ?
C44 C45 1.371(6) . ?
C45 H45 0.9500 . ?
C45 C46 1.375(6) . ?
C46 H46 0.9500 . ?
C46 C47 1.389(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.388(5) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
Si4 Li4 3.015(6) . ?
Si4 Li6 3.102(6) . ?
Si4 N8 1.742(3) . ?
Si4 C66 1.872(4) . ?
Si4 C67 1.872(3) . ?
Si4 C68 1.874(4) . ?
Si5 Li5 3.133(6) . ?
Si5 N10 1.726(3) . ?
Si5 C83 1.877(4) . ?
Si5 C84 1.868(3) . ?
Si5 C85 1.882(3) . ?
Si6 N12 1.763(3) . ?
Si6 C100 1.885(4) . ?
Si6 C101 1.886(4) . ?
Si6 C102 1.868(4) . ?
Li4 Li5 2.967(8) . ?
Li4 Li6 2.915(9) . ?
Li4 N8 1.992(6) . ?
Li4 N11 2.564(6) . ?
Li4 N12 2.022(6) . ?
Li4 C64 2.686(7) . ?
Li4 C86 2.714(7) . ?
Li4 C87 2.618(7) . ?
Li5 Li6 2.913(8) . ?
Li5 N10 1.990(6) . ?
Li5 N12 2.038(7) . ?
Li5 C75 2.627(7) . ?
Li6 N8 1.956(7) . ?
Li6 N10 1.995(6) . ?
Li6 C53 2.770(7) . ?
Li6 C82 2.583(7) . ?
N7 N8 1.482(4) . ?
N7 C52 1.419(4) . ?
N7 C65 1.421(4) . ?
N9 N10 1.505(4) . ?
N9 C69 1.436(4) . ?
N9 C82 1.428(4) . ?
N11 N12 1.466(4) . ?
N11 C86 1.422(4) . ?
N11 C99 1.423(4) . ?
C52 C53 1.394(5) . ?
C52 C57 1.411(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.387(5) . ?
C54 H54 0.9500 . ?
C54 C55 1.393(5) . ?
C55 H55 0.9500 . ?
C55 C56 1.375(5) . ?
C56 H56 0.9500 . ?
C56 C57 1.394(5) . ?
C57 C58 1.471(5) . ?
C58 H58 0.9500 . ?
C58 C59 1.323(5) . ?
C59 H59 0.9500 . ?
C59 C60 1.462(5) . ?
C60 C61 1.394(5) . ?
C60 C65 1.404(5) . ?
C61 H61 0.9500 . ?
C61 C62 1.382(5) . ?
C62 H62 0.9500 . ?
C62 C63 1.391(5) . ?
C63 H63 0.9500 . ?
C63 C64 1.386(5) . ?
C64 H64 0.9500 . ?
C64 C65 1.405(5) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.386(5) . ?
C69 C74 1.403(5) . ?
C70 H70 0.9500 . ?
C70 C71 1.390(5) . ?
C71 H71 0.9500 . ?
C71 C72 1.378(6) . ?
C72 H72 0.9500 . ?
C72 C73 1.373(5) . ?
C73 H73 0.9500 . ?
C73 C74 1.415(5) . ?
C74 C75 1.458(5) . ?
C75 H75 0.9500 . ?
C75 C76 1.344(5) . ?
C76 H76 0.9500 . ?
C76 C77 1.456(5) . ?
C77 C78 1.403(5) . ?
C77 C82 1.418(5) . ?
C78 H78 0.9500 . ?
C78 C79 1.386(5) . ?
C79 H79 0.9500 . ?
C79 C80 1.390(5) . ?
C80 H80 0.9500 . ?
C80 C81 1.385(5) . ?
C81 H81 0.9500 . ?
C81 C82 1.386(5) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 C87 1.401(5) . ?
C86 C91 1.429(5) . ?
C87 H87 0.9500 . ?
C87 C88 1.393(5) . ?
C88 H88 0.9500 . ?
C88 C89 1.365(5) . ?
C89 H89 0.9500 . ?
C89 C90 1.385(6) . ?
C90 H90 0.9500 . ?
C90 C91 1.390(5) . ?
C91 C92 1.452(5) . ?
C92 H92 0.9500 . ?
C92 C93 1.327(5) . ?
C93 H93 0.9500 . ?
C93 C94 1.457(5) . ?
C94 C95 1.399(5) . ?
C94 C99 1.417(5) . ?
C95 H95 0.9500 . ?
C95 C96 1.380(5) . ?
C96 H96 0.9500 . ?
C96 C97 1.375(5) . ?
C97 H97 0.9500 . ?
C97 C98 1.398(5) . ?
C98 H98 0.9500 . ?
C98 C99 1.400(5) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C101 H10F 0.9800 . ?
C102 H10G 0.9800 . ?
C102 H10H 0.9800 . ?
C102 H10I 0.9800 . ?
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
Li1 Si1 N2 Li3 -103.4(3) . . . . ?
Li1 Si1 N2 N1 129.4(3) . . . . ?
Li1 Si2 N4 Li2 -111.6(4) . . . . ?
Li1 Si2 N4 N3 131.7(3) . . . . ?
Li1 C2 C3 C4 134.1(4) . . . . ?
Li2 Si2 N4 Li1 111.6(4) . . . . ?
Li2 Si2 N4 N3 -116.7(3) . . . . ?
Li2 Si3 N6 Li3 -110.9(4) . . . . ?
Li2 Si3 N6 N5 132.6(4) . . . . ?
Li2 C19 C20 C21 -117.2(4) . . . . ?
Li3 Si1 N2 Li1 103.4(3) . . . . ?
Li3 Si1 N2 N1 -127.2(3) . . . . ?
Li3 N5 N6 Si3 128.8(3) . . . . ?
Li3 N5 N6 Li2 -96.6(3) . . . . ?
Li3 N5 C35 C36 -56.5(3) . . . . ?
Li3 N5 C35 C40 116.1(3) . . . . ?
Li3 N5 C48 C43 -103.9(8) . . . . ?
Li3 N5 C48 C47 71.3(9) . . . . ?
Li3 C13 C14 N1 -30.6(4) . . . . ?
Li3 C13 C14 C9 145.7(3) . . . . ?
Li3 C35 C36 C37 120.2(4) . . . . ?
Li3 C35 C40 C39 -89.8(4) . . . . ?
Li3 C35 C40 C41 89.2(4) . . . . ?
Li3 C36 C37 C38 93.7(4) . . . . ?
N1 C1 C2 Li1 28.2(4) . . . . ?
N1 C1 C2 C3 176.1(4) . . . . ?
N1 C1 C6 C5 -175.2(3) . . . . ?
N1 C1 C6 C7 5.3(5) . . . . ?
N2 N1 C1 C2 -29.3(5) . . . . ?
N2 N1 C1 C6 148.4(3) . . . . ?
N2 N1 C14 C9 -145.4(3) . . . . ?
N2 N1 C14 C13 30.9(5) . . . . ?
N3 C18 C19 Li2 -43.1(4) . . . . ?
N3 C18 C19 C20 -174.2(3) . . . . ?
N3 C18 C23 C22 173.1(3) . . . . ?
N3 C18 C23 C24 -8.8(5) . . . . ?
N4 N3 C18 C19 36.6(4) . . . . ?
N4 N3 C18 C23 -142.1(3) . . . . ?
N4 N3 C31 C26 144.3(3) . . . . ?
N4 N3 C31 C30 -32.7(5) . . . . ?
N5 C35 C36 Li3 55.9(3) . . . . ?
N5 C35 C36 C37 176.1(3) . . . . ?
N5 C35 C40 C39 -176.4(3) . . . . ?
N5 C35 C40 C41 2.6(5) . . . . ?
N6 N5 C35 Li3 34.8(3) . . . . ?
N6 N5 C35 C36 -21.7(4) . . . . ?
N6 N5 C35 C40 151.0(3) . . . . ?
N6 N5 C48 C43 -154.4(3) . . . . ?
N6 N5 C48 C47 20.9(5) . . . . ?
C1 N1 N2 Si1 -110.7(3) . . . . ?
C1 N1 N2 Li1 6.6(4) . . . . ?
C1 N1 N2 Li3 133.9(3) . . . . ?
C1 N1 C14 C9 72.7(4) . . . . ?
C1 N1 C14 C13 -111.0(4) . . . . ?
C1 C2 C3 C4 -0.1(6) . . . . ?
C1 C6 C7 C8 31.1(6) . . . . ?
C2 C1 C6 C5 2.6(5) . . . . ?
C2 C1 C6 C7 -176.9(3) . . . . ?
C2 C3 C4 C5 0.8(7) . . . . ?
C3 C4 C5 C6 0.3(7) . . . . ?
C4 C5 C6 C1 -2.0(6) . . . . ?
C4 C5 C6 C7 177.5(4) . . . . ?
C5 C6 C7 C8 -148.4(4) . . . . ?
C6 C1 C2 Li1 -149.5(3) . . . . ?
C6 C1 C2 C3 -1.6(6) . . . . ?
C6 C7 C8 C9 0.7(7) . . . . ?
C7 C8 C9 C10 149.4(4) . . . . ?
C7 C8 C9 C14 -29.9(6) . . . . ?
C8 C9 C10 C11 -176.2(4) . . . . ?
C8 C9 C14 N1 -9.2(5) . . . . ?
C8 C9 C14 C13 174.4(3) . . . . ?
C9 C10 C11 C12 0.2(6) . . . . ?
C10 C9 C14 N1 171.5(3) . . . . ?
C10 C9 C14 C13 -5.0(5) . . . . ?
C10 C11 C12 C13 -1.6(6) . . . . ?
C11 C12 C13 Li3 -130.3(4) . . . . ?
C11 C12 C13 C14 -0.3(6) . . . . ?
C12 C13 C14 N1 -172.7(3) . . . . ?
C12 C13 C14 C9 3.6(5) . . . . ?
C14 N1 N2 Si1 108.3(3) . . . . ?
C14 N1 N2 Li1 -134.3(3) . . . . ?
C14 N1 N2 Li3 -7.0(4) . . . . ?
C14 N1 C1 C2 112.1(4) . . . . ?
C14 N1 C1 C6 -70.2(4) . . . . ?
C14 C9 C10 C11 3.2(6) . . . . ?
C15 Si1 N2 Li1 -66.6(3) . . . . ?
C15 Si1 N2 Li3 -170.1(2) . . . . ?
C15 Si1 N2 N1 62.8(2) . . . . ?
C16 Si1 N2 Li1 170.9(3) . . . . ?
C16 Si1 N2 Li3 67.5(3) . . . . ?
C16 Si1 N2 N1 -59.7(2) . . . . ?
C17 Si1 N2 Li1 50.9(3) . . . . ?
C17 Si1 N2 Li3 -52.5(3) . . . . ?
C17 Si1 N2 N1 -179.6(2) . . . . ?
C18 N3 N4 Si2 119.7(2) . . . . ?
C18 N3 N4 Li1 -118.1(4) . . . . ?
C18 N3 N4 Li2 0.5(4) . . . . ?
C18 N3 C31 C26 -73.8(4) . . . . ?
C18 N3 C31 C30 109.1(4) . . . . ?
C18 C19 C20 C21 -0.6(5) . . . . ?
C18 C23 C24 C25 -30.4(6) . . . . ?
C19 C18 C23 C22 -5.7(5) . . . . ?
C19 C18 C23 C24 172.4(3) . . . . ?
C19 C20 C21 C22 -2.0(6) . . . . ?
C20 C21 C22 C23 0.7(6) . . . . ?
C21 C22 C23 C18 3.2(5) . . . . ?
C21 C22 C23 C24 -174.9(3) . . . . ?
C22 C23 C24 C25 147.6(4) . . . . ?
C23 C18 C19 Li2 135.6(3) . . . . ?
C23 C18 C19 C20 4.5(5) . . . . ?
C23 C24 C25 C26 0.4(6) . . . . ?
C24 C25 C26 C27 -149.2(4) . . . . ?
C24 C25 C26 C31 30.5(6) . . . . ?
C25 C26 C27 C28 176.0(4) . . . . ?
C25 C26 C31 N3 7.7(5) . . . . ?
C25 C26 C31 C30 -175.2(3) . . . . ?
C26 C27 C28 C29 0.4(6) . . . . ?
C27 C26 C31 N3 -172.7(3) . . . . ?
C27 C26 C31 C30 4.5(5) . . . . ?
C27 C28 C29 C30 2.2(7) . . . . ?
C28 C29 C30 C31 -1.4(6) . . . . ?
C29 C30 C31 N3 174.9(4) . . . . ?
C29 C30 C31 C26 -2.0(6) . . . . ?
C31 N3 N4 Si2 -99.2(3) . . . . ?
C31 N3 N4 Li1 23.0(4) . . . . ?
C31 N3 N4 Li2 141.6(3) . . . . ?
C31 N3 C18 C19 -106.4(4) . . . . ?
C31 N3 C18 C23 74.9(4) . . . . ?
C31 C26 C27 C28 -3.7(6) . . . . ?
C32 Si2 N4 Li1 52.1(3) . . . . ?
C32 Si2 N4 Li2 -59.5(3) . . . . ?
C32 Si2 N4 N3 -176.2(2) . . . . ?
C33 Si2 N4 Li1 172.3(3) . . . . ?
C33 Si2 N4 Li2 60.7(3) . . . . ?
C33 Si2 N4 N3 -56.0(2) . . . . ?
C34 Si2 N4 Li1 -66.0(3) . . . . ?
C34 Si2 N4 Li2 -177.6(3) . . . . ?
C34 Si2 N4 N3 65.7(2) . . . . ?
C35 N5 N6 Si3 83.6(3) . . . . ?
C35 N5 N6 Li2 -141.8(3) . . . . ?
C35 N5 N6 Li3 -45.2(3) . . . . ?
C35 N5 C48 C43 54.3(5) . . . . ?
C35 N5 C48 C47 -130.4(4) . . . . ?
C35 C36 C37 C38 -0.4(6) . . . . ?
C35 C40 C41 C42 29.9(6) . . . . ?
C36 C35 C40 C39 -3.6(5) . . . . ?
C36 C35 C40 C41 175.4(3) . . . . ?
C36 C37 C38 C39 -2.1(6) . . . . ?
C37 C38 C39 C40 1.6(6) . . . . ?
C38 C39 C40 C35 1.2(6) . . . . ?
C38 C39 C40 C41 -177.8(4) . . . . ?
C39 C40 C41 C42 -151.2(4) . . . . ?
C40 C35 C36 Li3 -117.0(3) . . . . ?
C40 C35 C36 C37 3.2(5) . . . . ?
C40 C41 C42 C43 -0.7(7) . . . . ?
C41 C42 C43 C44 152.6(4) . . . . ?
C41 C42 C43 C48 -31.3(6) . . . . ?
C42 C43 C44 C45 176.9(4) . . . . ?
C42 C43 C48 N5 1.9(5) . . . . ?
C42 C43 C48 C47 -173.5(4) . . . . ?
C43 C44 C45 C46 -3.3(6) . . . . ?
C44 C43 C48 N5 178.0(3) . . . . ?
C44 C43 C48 C47 2.6(5) . . . . ?
C44 C45 C46 C47 2.9(6) . . . . ?
C45 C46 C47 C48 0.2(6) . . . . ?
C46 C47 C48 N5 -178.4(3) . . . . ?
C46 C47 C48 C43 -3.0(6) . . . . ?
C48 N5 N6 Si3 -69.3(3) . . . . ?
C48 N5 N6 Li2 65.4(4) . . . . ?
C48 N5 N6 Li3 162.0(3) . . . . ?
C48 N5 C35 Li3 -173.1(3) . . . . ?
C48 N5 C35 C36 130.4(3) . . . . ?
C48 N5 C35 C40 -57.0(4) . . . . ?
C48 C43 C44 C45 0.5(6) . . . . ?
C49 Si3 N6 Li2 -14.6(3) . . . . ?
C49 Si3 N6 Li3 -125.5(3) . . . . ?
C49 Si3 N6 N5 118.0(3) . . . . ?
C50 Si3 N6 Li2 98.3(3) . . . . ?
C50 Si3 N6 Li3 -12.5(3) . . . . ?
C50 Si3 N6 N5 -129.1(2) . . . . ?
C51 Si3 N6 Li2 -139.7(3) . . . . ?
C51 Si3 N6 Li3 109.5(3) . . . . ?
C51 Si3 N6 N5 -7.1(3) . . . . ?
Li4 Si4 N8 Li6 104.2(3) . . . . ?
Li4 Si4 N8 N7 -125.0(3) . . . . ?
Li4 N11 N12 Si6 133.3(3) . . . . ?
Li4 N11 N12 Li5 -94.8(3) . . . . ?
Li4 N11 C86 C87 -52.4(3) . . . . ?
Li4 N11 C86 C91 122.3(3) . . . . ?
Li4 N11 C99 C94 -96.4(5) . . . . ?
Li4 N11 C99 C98 78.2(5) . . . . ?
Li4 C64 C65 N7 -32.4(4) . . . . ?
Li4 C64 C65 C60 143.9(3) . . . . ?
Li4 C86 C87 C88 127.7(4) . . . . ?
Li4 C86 C91 C90 -90.3(4) . . . . ?
Li4 C86 C91 C92 86.3(4) . . . . ?
Li4 C87 C88 C89 101.6(4) . . . . ?
Li5 Si5 N10 Li6 110.3(3) . . . . ?
Li5 Si5 N10 N9 -131.9(3) . . . . ?
Li5 C75 C76 C77 85.3(4) . . . . ?
Li6 Si4 N8 Li4 -104.2(3) . . . . ?
Li6 Si4 N8 N7 130.8(3) . . . . ?
Li6 C53 C54 C55 140.4(3) . . . . ?
N7 C52 C53 Li6 24.5(3) . . . . ?
N7 C52 C53 C54 176.8(3) . . . . ?
N7 C52 C57 C56 -176.4(3) . . . . ?
N7 C52 C57 C58 3.4(5) . . . . ?
N8 N7 C52 C53 -31.3(4) . . . . ?
N8 N7 C52 C57 146.4(3) . . . . ?
N8 N7 C65 C60 -143.2(3) . . . . ?
N8 N7 C65 C64 33.2(4) . . . . ?
N9 C69 C70 C71 171.8(3) . . . . ?
N9 C69 C74 C73 -168.9(3) . . . . ?
N9 C69 C74 C75 17.7(5) . . . . ?
N10 N9 C69 C70 -119.0(3) . . . . ?
N10 N9 C69 C74 58.4(4) . . . . ?
N10 N9 C82 Li6 7.8(2) . . . . ?
N10 N9 C82 C77 -70.1(4) . . . . ?
N10 N9 C82 C81 106.2(3) . . . . ?
N11 C86 C87 Li4 51.3(3) . . . . ?
N11 C86 C87 C88 179.0(3) . . . . ?
N11 C86 C91 C90 -179.4(3) . . . . ?
N11 C86 C91 C92 -2.8(5) . . . . ?
N12 N11 C86 Li4 39.0(2) . . . . ?
N12 N11 C86 C87 -13.4(4) . . . . ?
N12 N11 C86 C91 161.3(3) . . . . ?
N12 N11 C99 C94 -155.5(3) . . . . ?
N12 N11 C99 C98 19.1(4) . . . . ?
C52 N7 N8 Si4 -108.5(2) . . . . ?
C52 N7 N8 Li4 135.8(3) . . . . ?
C52 N7 N8 Li6 16.6(4) . . . . ?
C52 N7 C65 C60 72.1(4) . . . . ?
C52 N7 C65 C64 -111.5(3) . . . . ?
C52 C53 C54 C55 0.4(5) . . . . ?
C52 C57 C58 C59 33.2(5) . . . . ?
C53 C52 C57 C56 1.4(5) . . . . ?
C53 C52 C57 C58 -178.8(3) . . . . ?
C53 C54 C55 C56 -0.4(5) . . . . ?
C54 C55 C56 C57 0.9(6) . . . . ?
C55 C56 C57 C52 -1.4(5) . . . . ?
C55 C56 C57 C58 178.8(3) . . . . ?
C56 C57 C58 C59 -147.1(4) . . . . ?
C57 C52 C53 Li6 -153.2(3) . . . . ?
C57 C52 C53 C54 -0.9(5) . . . . ?
C57 C58 C59 C60 0.8(6) . . . . ?
C58 C59 C60 C61 147.2(4) . . . . ?
C58 C59 C60 C65 -32.3(5) . . . . ?
C59 C60 C61 C62 -178.2(3) . . . . ?
C59 C60 C65 N7 -7.0(5) . . . . ?
C59 C60 C65 C64 176.5(3) . . . . ?
C60 C61 C62 C63 0.7(6) . . . . ?
C61 C60 C65 N7 173.4(3) . . . . ?
C61 C60 C65 C64 -3.0(5) . . . . ?
C61 C62 C63 C64 -1.0(5) . . . . ?
C62 C63 C64 Li4 -128.9(4) . . . . ?
C62 C63 C64 C65 -0.8(5) . . . . ?
C63 C64 C65 N7 -173.5(3) . . . . ?
C63 C64 C65 C60 2.8(5) . . . . ?
C65 N7 N8 Si4 107.8(2) . . . . ?
C65 N7 N8 Li4 -7.9(4) . . . . ?
C65 N7 N8 Li6 -127.1(3) . . . . ?
C65 N7 C52 C53 113.1(3) . . . . ?
C65 N7 C52 C57 -69.2(4) . . . . ?
C65 C60 C61 C62 1.3(5) . . . . ?
C66 Si4 N8 Li4 -54.6(2) . . . . ?
C66 Si4 N8 Li6 49.5(3) . . . . ?
C66 Si4 N8 N7 -179.65(18) . . . . ?
C67 Si4 N8 Li4 -172.5(2) . . . . ?
C67 Si4 N8 Li6 -68.3(3) . . . . ?
C67 Si4 N8 N7 62.5(2) . . . . ?
C68 Si4 N8 Li4 63.5(3) . . . . ?
C68 Si4 N8 Li6 167.7(3) . . . . ?
C68 Si4 N8 N7 -61.5(2) . . . . ?
C69 N9 N10 Si5 93.7(3) . . . . ?
C69 N9 N10 Li5 -36.0(4) . . . . ?
C69 N9 N10 Li6 -139.3(3) . . . . ?
C69 N9 C82 Li6 136.5(3) . . . . ?
C69 N9 C82 C77 58.6(4) . . . . ?
C69 N9 C82 C81 -125.0(3) . . . . ?
C69 C70 C71 C72 -0.4(5) . . . . ?
C69 C74 C75 Li5 -69.4(3) . . . . ?
C69 C74 C75 C76 22.0(5) . . . . ?
C70 C69 C74 C73 8.4(5) . . . . ?
C70 C69 C74 C75 -165.0(3) . . . . ?
C70 C71 C72 C73 3.5(6) . . . . ?
C71 C72 C73 C74 -0.6(6) . . . . ?
C72 C73 C74 C69 -5.4(5) . . . . ?
C72 C73 C74 C75 168.4(3) . . . . ?
C73 C74 C75 Li5 117.3(3) . . . . ?
C73 C74 C75 C76 -151.4(3) . . . . ?
C74 C69 C70 C71 -5.6(5) . . . . ?
C74 C75 C76 C77 -2.4(6) . . . . ?
C75 C76 C77 C78 153.8(4) . . . . ?
C75 C76 C77 C82 -25.2(6) . . . . ?
C76 C77 C78 C79 -178.8(3) . . . . ?
C76 C77 C82 Li6 -82.1(3) . . . . ?
C76 C77 C82 N9 -4.5(5) . . . . ?
C76 C77 C82 C81 179.2(3) . . . . ?
C77 C78 C79 C80 -0.3(5) . . . . ?
C78 C77 C82 Li6 98.8(3) . . . . ?
C78 C77 C82 N9 176.4(3) . . . . ?
C78 C77 C82 C81 0.2(5) . . . . ?
C78 C79 C80 C81 -0.2(5) . . . . ?
C79 C80 C81 C82 0.7(5) . . . . ?
C80 C81 C82 Li6 -89.5(4) . . . . ?
C80 C81 C82 N9 -177.2(3) . . . . ?
C80 C81 C82 C77 -0.7(5) . . . . ?
C82 N9 N10 Si5 -137.4(2) . . . . ?
C82 N9 N10 Li5 92.9(3) . . . . ?
C82 N9 N10 Li6 -10.4(3) . . . . ?
C82 N9 C69 C70 114.7(3) . . . . ?
C82 N9 C69 C74 -67.9(4) . . . . ?
C82 C77 C78 C79 0.3(5) . . . . ?
C83 Si5 N10 Li5 -175.3(2) . . . . ?
C83 Si5 N10 Li6 -65.0(3) . . . . ?
C83 Si5 N10 N9 52.8(2) . . . . ?
C84 Si5 N10 Li5 -56.5(3) . . . . ?
C84 Si5 N10 Li6 53.8(3) . . . . ?
C84 Si5 N10 N9 171.58(19) . . . . ?
C85 Si5 N10 Li5 63.2(3) . . . . ?
C85 Si5 N10 Li6 173.5(3) . . . . ?
C85 Si5 N10 N9 -68.7(2) . . . . ?
C86 N11 N12 Si6 81.4(3) . . . . ?
C86 N11 N12 Li4 -52.0(3) . . . . ?
C86 N11 N12 Li5 -146.7(3) . . . . ?
C86 N11 C99 C94 41.3(5) . . . . ?
C86 N11 C99 C98 -144.2(3) . . . . ?
C86 C87 C88 C89 -0.1(5) . . . . ?
C86 C91 C92 C93 18.8(6) . . . . ?
C87 C86 C91 C90 -4.5(5) . . . . ?
C87 C86 C91 C92 172.1(3) . . . . ?
C87 C88 C89 C90 -2.8(5) . . . . ?
C88 C89 C90 C91 1.8(5) . . . . ?
C89 C90 C91 C86 1.9(5) . . . . ?
C89 C90 C91 C92 -175.0(3) . . . . ?
C90 C91 C92 C93 -164.5(4) . . . . ?
C91 C86 C87 Li4 -123.9(3) . . . . ?
C91 C86 C87 C88 3.8(5) . . . . ?
C91 C92 C93 C94 3.5(7) . . . . ?
C92 C93 C94 C95 161.3(4) . . . . ?
C92 C93 C94 C99 -19.1(6) . . . . ?
C93 C94 C95 C96 -179.5(3) . . . . ?
C93 C94 C99 N11 -6.1(5) . . . . ?
C93 C94 C99 C98 179.3(3) . . . . ?
C94 C95 C96 C97 0.4(5) . . . . ?
C95 C94 C99 N11 173.5(3) . . . . ?
C95 C94 C99 C98 -1.1(5) . . . . ?
C95 C96 C97 C98 -1.3(5) . . . . ?
C96 C97 C98 C99 1.0(5) . . . . ?
C97 C98 C99 N11 -174.7(3) . . . . ?
C97 C98 C99 C94 0.3(5) . . . . ?
C99 N11 N12 Si6 -83.7(3) . . . . ?
C99 N11 N12 Li4 142.9(3) . . . . ?
C99 N11 N12 Li5 48.1(3) . . . . ?
C99 N11 C86 Li4 -157.8(3) . . . . ?
C99 N11 C86 C87 149.8(3) . . . . ?
C99 N11 C86 C91 -35.4(5) . . . . ?
C99 C94 C95 C96 0.8(5) . . . . ?
C100 Si6 N12 Li4 -117.2(3) . . . . ?
C100 Si6 N12 Li5 1.8(3) . . . . ?
C100 Si6 N12 N11 126.3(2) . . . . ?
C101 Si6 N12 Li4 -1.5(3) . . . . ?
C101 Si6 N12 Li5 117.4(3) . . . . ?
C101 Si6 N12 N11 -118.0(2) . . . . ?
C102 Si6 N12 Li4 120.7(3) . . . . ?
C102 Si6 N12 Li5 -120.4(2) . . . . ?
C102 Si6 N12 N11 4.2(3) . . . . ?
