#------------------------------------------------------------------------------
#$Date: 2023-06-05 07:13:02 +0300 (Mon, 05 Jun 2023) $
#$Revision: 284245 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/90/1569008.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_1569008
loop_
_publ_author_name
'Liu, Xiaona'
'Dai, Yuyang'
'Bao, Manling'
'Wang, Wenjuan'
'Li, Qianli'
'Liu, Chunmeng'
'Wang, Xinping'
'Su, Yuanting'
_publ_section_title
;
 A crystalline T-shaped planar group 14 anion.
;
_journal_issue                   21
_journal_name_full               'Chemical science'
_journal_page_first              5722
_journal_page_last               5727
_journal_paper_doi               10.1039/d2sc07006e
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C94 H124 Li6 N6, 2.38[C6H14]'
_chemical_formula_sum            'C108.28 H157.32 Li6 N6'
_chemical_formula_weight         1584.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2023-04-01
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2023-04-03 deposited with the CCDC.	2023-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.595(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.4571(7)
_cell_length_b                   42.796(2)
_cell_length_c                   15.4362(9)
_cell_measurement_reflns_used    9804
_cell_measurement_temperature    120.00
_cell_measurement_theta_max      53.24
_cell_measurement_theta_min      2.65
_cell_volume                     9519.8(8)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      120.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0861
_diffrn_reflns_av_unetI/netI     0.0676
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            103054
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.013
_diffrn_reflns_theta_min         2.815
_diffrn_source_current           3.57
_diffrn_source_power             0.24947159999999996
_diffrn_source_voltage           69.88
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.296
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_description       block
_exptl_crystal_F_000             3468
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.272
_refine_diff_density_min         -0.222
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1017
_refine_ls_number_reflns         17456
_refine_ls_number_restraints     566
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0639
_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)+(0.1041P)²+2.1874P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1761
_refine_ls_wR_factor_ref         0.1958
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11597
_reflns_number_total             17456
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc07006e2.cif
_cod_data_source_block           L2Li6
_cod_depositor_comments
'Adding full bibliography for 1569006--1569011.cif.'
_cod_original_cell_volume        9519.8(9)
_cod_database_code               1569008
_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   0.977
_shelx_estimated_absorpt_t_min   0.971
_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. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3.a Ternary CH refined with riding coordinates:
 C30(H30), C33(H33), C45(H45), C80(H80), C89(H89), C92(H92)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C8(H8), C10(H10), C26(H26), C27(H27), C28(H28), C38(H38),
 C39(H39), C40(H40), C49(H49), C51(H51), C57(H57), C59(H59), C73(H73), C74(H74),
  C75(H75), C85(H85), C86(H86), C87(H87)
3.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,
 H18C), C19(H19A,H19B,H19C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,
 H23B,H23C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C), C43(H43A,H43B,H43C), C46(H46A,H46B,H46C), C47(H47A,H47B,
 H47C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C64(H64A,H64B,H64C), C65(H65A,
 H65B,H65C), C66(H66A,H66B,H66C), C68(H68A,H68B,H68C), C69(H69A,H69B,H69C),
 C70(H70A,H70B,H70C), C78(H78A,H78B,H78C), C81(H81A,H81B,H81C), C82(H82A,H82B,
 H82C), C90(H90A,H90B,H90C), C91(H91A,H91B,H91C), C93(H93A,H93B,H93C), C94(H94A,
 H94B,H94C)
;
_smtbx_masks_special_details
;
A solvent mask was calculated and 476 electrons were 
found in a volume of 2280Å³ in 1 void per unit cell. 
This is consistent with the presence of 
2.38[C6H14] per Asymmetric Unit 
which account for 476 electrons 
per unit cell.
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Li1 Li 0.3615(3) 0.66617(10) 0.0920(3) 0.0374(9) Uani 1 1 d . U . . .
Li2 Li 0.4191(3) 0.64894(10) 0.2286(3) 0.0373(9) Uani 1 1 d . U . . .
Li3 Li 0.2352(3) 0.65416(9) -0.0042(2) 0.0338(8) Uani 1 1 d . U . . .
Li4 Li 0.2647(2) 0.62345(9) 0.1480(2) 0.0334(8) Uani 1 1 d . U . . .
Li5 Li 0.4994(3) 0.56950(10) 0.1413(3) 0.0382(9) Uani 1 1 d . U . . .
Li6 Li 0.0578(3) 0.68965(10) 0.1422(3) 0.0393(9) Uani 1 1 d . U . . .
N1 N 0.27631(11) 0.69559(4) 0.04065(11) 0.0284(4) Uani 1 1 d . U . . .
N2 N 0.35411(12) 0.60817(4) 0.24714(12) 0.0311(4) Uani 1 1 d . U . . .
N3 N 0.28098(11) 0.66661(4) 0.21110(11) 0.0287(4) Uani 1 1 d . U . . .
N4 N 0.15046(11) 0.62826(4) 0.06279(12) 0.0308(4) Uani 1 1 d . U . . .
N5 N 0.48659(11) 0.65405(4) 0.12191(12) 0.0285(4) Uani 1 1 d . U . . .
N6 N 0.33451(11) 0.61845(4) 0.03668(11) 0.0278(4) Uani 1 1 d . U . . .
C1 C 0.21759(14) 0.70554(5) 0.10336(14) 0.0280(5) Uani 1 1 d . U . . .
C2 C 0.15106(14) 0.72859(5) 0.08098(15) 0.0297(5) Uani 1 1 d . U . . .
H2 H 0.144281 0.735494 0.022330 0.036 Uiso 1 1 calc R U . . .
C3 C 0.09383(14) 0.74208(5) 0.14009(15) 0.0306(5) Uani 1 1 d . U . . .
C4 C 0.10641(15) 0.73130(6) 0.22522(15) 0.0339(5) Uani 1 1 d . U . . .
H4 H 0.070511 0.740382 0.267585 0.041 Uiso 1 1 calc R U . . .
C5 C 0.16994(14) 0.70752(5) 0.25147(14) 0.0311(5) Uani 1 1 d . U . . .
C6 C 0.22362(14) 0.69234(5) 0.19048(14) 0.0284(5) Uani 1 1 d . U . . .
C7 C 0.31465(15) 0.62357(6) 0.31477(15) 0.0335(5) Uani 1 1 d . U . . .
C8 C 0.30806(17) 0.61033(6) 0.39714(15) 0.0403(6) Uani 1 1 d . U . . .
H8 H 0.331496 0.589827 0.407787 0.048 Uiso 1 1 calc R U . . .
C9 C 0.26827(19) 0.62615(7) 0.46426(16) 0.0477(7) Uani 1 1 d . U . . .
C10 C 0.23380(18) 0.65560(6) 0.44594(16) 0.0450(6) Uani 1 1 d . U . . .
H10 H 0.208870 0.667093 0.491296 0.054 Uiso 1 1 calc R U . . .
C11 C 0.23364(15) 0.66950(6) 0.36350(15) 0.0362(6) Uani 1 1 d . U . . .
C12 C 0.27536(14) 0.65429(5) 0.29618(14) 0.0316(5) Uani 1 1 d . U . . .
C13 C 0.18991(15) 0.70147(6) 0.34873(15) 0.0349(5) Uani 1 1 d . U . . .
C14 C 0.25810(18) 0.72697(6) 0.38394(17) 0.0476(7) Uani 1 1 d . U . . .
H14A H 0.314082 0.726305 0.352145 0.071 Uiso 1 1 calc R U . . .
H14B H 0.274947 0.723326 0.445879 0.071 Uiso 1 1 calc R U . . .
H14C H 0.228657 0.747519 0.376213 0.071 Uiso 1 1 calc R U . . .
C15 C 0.10086(17) 0.70438(7) 0.39718(17) 0.0472(7) Uani 1 1 d . U . . .
H15A H 0.074797 0.725388 0.388420 0.071 Uiso 1 1 calc R U . . .
H15B H 0.115923 0.700754 0.459400 0.071 Uiso 1 1 calc R U . . .
H15C H 0.055376 0.688847 0.374461 0.071 Uiso 1 1 calc R U . . .
C16 C 0.02683(15) 0.76908(6) 0.11314(16) 0.0360(6) Uani 1 1 d . U . . .
C17 C 0.07828(18) 0.79970(6) 0.1304(2) 0.0632(9) Uani 1 1 d . U . . .
H17A H 0.035713 0.817214 0.117538 0.095 Uiso 1 1 calc R U . . .
H17B H 0.130028 0.801030 0.093269 0.095 Uiso 1 1 calc R U . . .
H17C H 0.102273 0.800599 0.191563 0.095 Uiso 1 1 calc R U . . .
C18 C -0.0087(2) 0.76704(8) 0.01798(18) 0.0627(9) Uani 1 1 d . U . . .
H18A H -0.040371 0.747001 0.007085 0.094 Uiso 1 1 calc R U . . .
H18B H 0.043583 0.768625 -0.018418 0.094 Uiso 1 1 calc R U . . .
H18C H -0.052349 0.784168 0.003890 0.094 Uiso 1 1 calc R U . . .
C19 C -0.05798(15) 0.76828(6) 0.16580(16) 0.0386(6) Uani 1 1 d . U . . .
H19A H -0.038494 0.771496 0.227425 0.058 Uiso 1 1 calc R U . . .
H19B H -0.088783 0.747951 0.158207 0.058 Uiso 1 1 calc R U . . .
H19C H -0.101187 0.784871 0.145600 0.058 Uiso 1 1 calc R U . . .
C20 C 0.2654(3) 0.61220(8) 0.55557(19) 0.0700(10) Uani 1 1 d . U . . .
C21 C 0.3464(4) 0.62849(10) 0.6162(2) 0.1162(17) Uani 1 1 d . U . . .
H21A H 0.406660 0.622917 0.595671 0.174 Uiso 1 1 calc R U . . .
H21B H 0.343649 0.621308 0.676196 0.174 Uiso 1 1 calc R U . . .
H21C H 0.338495 0.651223 0.613789 0.174 Uiso 1 1 calc R U . . .
C22 C 0.2842(3) 0.57730(8) 0.5582(2) 0.0885(12) Uani 1 1 d . U . . .
H22A H 0.236855 0.566496 0.520330 0.133 Uiso 1 1 calc R U . . .
H22B H 0.282356 0.569699 0.617899 0.133 Uiso 1 1 calc R U . . .
H22C H 0.345637 0.573190 0.538004 0.133 Uiso 1 1 calc R U . . .
C23 C 0.1723(3) 0.61885(11) 0.5916(3) 0.1236(19) Uani 1 1 d . U . . .
H23A H 0.161026 0.641430 0.591209 0.185 Uiso 1 1 calc R U . . .
H23B H 0.173241 0.611005 0.651313 0.185 Uiso 1 1 calc R U . . .
H23C H 0.122784 0.608387 0.555457 0.185 Uiso 1 1 calc R U . . .
C24 C 0.40236(15) 0.57973(5) 0.26034(15) 0.0324(5) Uani 1 1 d . U . . .
C25 C 0.36414(16) 0.55192(6) 0.22122(15) 0.0357(6) Uani 1 1 d . U . . .
C26 C 0.42061(17) 0.52563(6) 0.21095(18) 0.0428(6) Uani 1 1 d . U . . .
H26 H 0.395541 0.507970 0.180051 0.051 Uiso 1 1 calc R U . . .
C27 C 0.51205(17) 0.52506(6) 0.24508(18) 0.0456(6) Uani 1 1 d . U . . .
H27 H 0.550607 0.507621 0.235540 0.055 Uiso 1 1 calc R U . . .
C28 C 0.54617(17) 0.55028(6) 0.29320(17) 0.0453(6) Uani 1 1 d . U . . .
H28 H 0.607308 0.549188 0.320600 0.054 Uiso 1 1 calc R U . . .
C29 C 0.49409(16) 0.57743(6) 0.30320(16) 0.0371(6) Uani 1 1 d . U . . .
C30 C 0.53864(17) 0.60250(7) 0.36155(17) 0.0445(6) Uani 1 1 d . U . . .
H30 H 0.500614 0.621969 0.353831 0.053 Uiso 1 1 calc R U . . .
C31 C 0.63825(18) 0.61004(7) 0.3409(2) 0.0548(7) Uani 1 1 d . U . . .
H31A H 0.677171 0.591433 0.350945 0.082 Uiso 1 1 calc R U . . .
H31B H 0.662752 0.627023 0.378695 0.082 Uiso 1 1 calc R U . . .
H31C H 0.638471 0.616469 0.280032 0.082 Uiso 1 1 calc R U . . .
C32 C 0.5408(2) 0.59244(8) 0.45740(19) 0.0656(9) Uani 1 1 d . U . . .
H32A H 0.477737 0.587424 0.471906 0.098 Uiso 1 1 calc R U . . .
H32B H 0.565665 0.609513 0.494626 0.098 Uiso 1 1 calc R U . . .
H32C H 0.580413 0.573961 0.466693 0.098 Uiso 1 1 calc R U . . .
C33 C 0.26033(16) 0.54789(6) 0.20078(17) 0.0413(6) Uani 1 1 d . U . . .
H33 H 0.231618 0.569044 0.192533 0.050 Uiso 1 1 calc R U . . .
C34 C 0.23193(18) 0.52828(7) 0.12165(18) 0.0495(7) Uani 1 1 d . U . . .
H34A H 0.257880 0.537356 0.070578 0.074 Uiso 1 1 calc R U . . .
H34B H 0.164091 0.527819 0.112355 0.074 Uiso 1 1 calc R U . . .
H34C H 0.255416 0.506950 0.130697 0.074 Uiso 1 1 calc R U . . .
C35 C 0.22359(19) 0.53272(8) 0.2826(2) 0.0631(9) Uani 1 1 d . U . . .
H35A H 0.256536 0.513052 0.295538 0.095 Uiso 1 1 calc R U . . .
H35B H 0.157009 0.528562 0.271758 0.095 Uiso 1 1 calc R U . . .
H35C H 0.234014 0.546973 0.332081 0.095 Uiso 1 1 calc R U . . .
C36 C 0.30188(13) 0.71973(5) -0.01656(14) 0.0282(5) Uani 1 1 d . U . . .
C37 C 0.34981(14) 0.74669(5) 0.01565(15) 0.0320(5) Uani 1 1 d . U . . .
C38 C 0.37334(15) 0.76987(6) -0.04249(17) 0.0373(6) Uani 1 1 d . U . . .
H38 H 0.403287 0.788285 -0.020281 0.045 Uiso 1 1 calc R U . . .
C39 C 0.35453(15) 0.76685(6) -0.13062(17) 0.0401(6) Uani 1 1 d . U . . .
H39 H 0.371556 0.782853 -0.168914 0.048 Uiso 1 1 calc R U . . .
C40 C 0.31043(15) 0.74014(6) -0.16274(16) 0.0363(6) Uani 1 1 d . U . . .
H40 H 0.298158 0.737786 -0.223776 0.044 Uiso 1 1 calc R U . . .
C41 C 0.28359(14) 0.71665(5) -0.10796(15) 0.0305(5) Uani 1 1 d . U . . .
C42 C 0.23474(16) 0.68800(6) -0.14774(15) 0.0361(5) Uani 1 1 d . U . . .
H42 H 0.1860(16) 0.6808(5) -0.1028(16) 0.042(7) Uiso 1 1 d . . . . .
C43 C 0.18361(17) 0.69373(7) -0.23756(16) 0.0468(7) Uani 1 1 d . U . . .
H43A H 0.228992 0.696206 -0.280929 0.070 Uiso 1 1 calc R U . . .
H43B H 0.146026 0.712736 -0.235688 0.070 Uiso 1 1 calc R U . . .
H43C H 0.143209 0.675885 -0.253296 0.070 Uiso 1 1 calc R U . . .
C44 C 0.30054(18) 0.66016(7) -0.15481(18) 0.0405(6) Uani 1 1 d . U . . .
H44A H 0.2603(18) 0.6399(6) -0.1754(17) 0.051(8) Uiso 1 1 d . . . . .
H44B H 0.3424(17) 0.6567(6) -0.0952(18) 0.048(7) Uiso 1 1 d . . . . .
H44C H 0.3461(17) 0.6663(6) -0.2039(17) 0.048(7) Uiso 1 1 d . . . . .
C45 C 0.38389(15) 0.75088(6) 0.11088(16) 0.0368(6) Uani 1 1 d . U . . .
H45 H 0.376577 0.730340 0.140482 0.044 Uiso 1 1 calc R U . . .
C46 C 0.48728(15) 0.75937(6) 0.12095(18) 0.0448(6) Uani 1 1 d . U . . .
H46A H 0.495721 0.780692 0.099800 0.067 Uiso 1 1 calc R U . . .
H46B H 0.522141 0.744759 0.087100 0.067 Uiso 1 1 calc R U . . .
H46C H 0.510011 0.758092 0.182386 0.067 Uiso 1 1 calc R U . . .
C47 C 0.32947(17) 0.77522(7) 0.15883(19) 0.0527(7) Uani 1 1 d . U . . .
H47A H 0.356792 0.777273 0.218740 0.079 Uiso 1 1 calc R U . . .
H47B H 0.264664 0.768545 0.159239 0.079 Uiso 1 1 calc R U . . .
H47C H 0.332142 0.795411 0.129198 0.079 Uiso 1 1 calc R U . . .
C48 C 0.16889(14) 0.60469(5) 0.00445(14) 0.0292(5) Uani 1 1 d . U . . .
C49 C 0.10128(14) 0.58605(5) -0.03942(15) 0.0322(5) Uani 1 1 d . U . . .
H49 H 0.038122 0.589665 -0.029650 0.039 Uiso 1 1 calc R U . . .
C50 C 0.12175(15) 0.56236(6) -0.09696(15) 0.0341(5) Uani 1 1 d . U . . .
C51 C 0.21463(15) 0.55736(6) -0.10833(15) 0.0353(5) Uani 1 1 d . U . . .
H51 H 0.230537 0.541645 -0.148003 0.042 Uiso 1 1 calc R U . . .
C52 C 0.28633(14) 0.57451(5) -0.06375(15) 0.0304(5) Uani 1 1 d . U . . .
C53 C 0.26611(14) 0.59895(5) -0.00835(14) 0.0277(5) Uani 1 1 d . U . . .
C54 C 0.50077(14) 0.62468(5) 0.08534(14) 0.0280(5) Uani 1 1 d . U . . .
C55 C 0.42572(13) 0.60755(5) 0.03795(14) 0.0264(5) Uani 1 1 d . U . . .
C56 C 0.45253(14) 0.58072(5) -0.00744(14) 0.0281(5) Uani 1 1 d . U . . .
C57 C 0.54464(14) 0.56951(5) 0.00065(15) 0.0304(5) Uani 1 1 d . U . . .
H57 H 0.559033 0.551270 -0.030686 0.036 Uiso 1 1 calc R U . . .
C58 C 0.61515(14) 0.58395(5) 0.05239(15) 0.0306(5) Uani 1 1 d . U . . .
C59 C 0.59022(14) 0.61133(5) 0.09372(15) 0.0307(5) Uani 1 1 d . U . . .
H59 H 0.636729 0.621701 0.130017 0.037 Uiso 1 1 calc R U . . .
C60 C 0.38637(15) 0.56599(6) -0.07811(15) 0.0341(5) Uani 1 1 d . U . . .
C61 C 0.41054(17) 0.57896(8) -0.16632(17) 0.0534(8) Uani 1 1 d . U . . .
H61A H 0.473972 0.572840 -0.176899 0.080 Uiso 1 1 calc R U . . .
H61B H 0.405912 0.601807 -0.165835 0.080 Uiso 1 1 calc R U . . .
H61C H 0.367140 0.570518 -0.212483 0.080 Uiso 1 1 calc R U . . .
C62 C 0.39885(17) 0.53014(6) -0.0778(2) 0.0552(8) Uani 1 1 d . U . . .
H62A H 0.351692 0.520679 -0.118784 0.083 Uiso 1 1 calc R U . . .
H62B H 0.392013 0.522059 -0.019236 0.083 Uiso 1 1 calc R U . . .
H62C H 0.460761 0.524951 -0.095102 0.083 Uiso 1 1 calc R U . . .
C63 C 0.71619(14) 0.57211(5) 0.06150(16) 0.0351(6) Uani 1 1 d . U . . .
C64 C 0.73011(16) 0.54441(6) 0.0026(2) 0.0483(7) Uani 1 1 d . U . . .
H64A H 0.713629 0.550413 -0.057978 0.072 Uiso 1 1 calc R U . . .
H64B H 0.690455 0.527089 0.018377 0.072 Uiso 1 1 calc R U . . .
H64C H 0.795236 0.537852 0.009229 0.072 Uiso 1 1 calc R U . . .
C65 C 0.78163(15) 0.59809(6) 0.0363(2) 0.0495(7) Uani 1 1 d . U . . .
H65A H 0.845997 0.590863 0.045361 0.074 Uiso 1 1 calc R U . . .
H65B H 0.773173 0.616557 0.072325 0.074 Uiso 1 1 calc R U . . .
H65C H 0.767628 0.603491 -0.025093 0.074 Uiso 1 1 calc R U . . .
C66 C 0.74226(18) 0.56227(8) 0.15510(19) 0.0559(8) Uani 1 1 d . U . . .
H66A H 0.805979 0.554276 0.160271 0.084 Uiso 1 1 calc R U . . .
H66B H 0.699777 0.545876 0.171696 0.084 Uiso 1 1 calc R U . . .
H66C H 0.737786 0.580336 0.193562 0.084 Uiso 1 1 calc R U . . .
C67 C 0.04650(16) 0.54283(6) -0.14676(18) 0.0422(6) Uani 1 1 d . U . . .
C68 C 0.0316(2) 0.55613(10) -0.2417(2) 0.0855(12) Uani 1 1 d . U . . .
H68A H -0.018844 0.544723 -0.273874 0.128 Uiso 1 1 calc R U . . .
H68B H 0.088871 0.553629 -0.270953 0.128 Uiso 1 1 calc R U . . .
H68C H 0.015633 0.578355 -0.239381 0.128 Uiso 1 1 calc R U . . .
C69 C 0.0754(2) 0.50891(7) -0.1520(3) 0.0808(12) Uani 1 1 d . U . . .
H69A H 0.085902 0.500309 -0.093213 0.121 Uiso 1 1 calc R U . . .
H69B H 0.132689 0.507440 -0.181624 0.121 Uiso 1 1 calc R U . . .
H69C H 0.026167 0.497023 -0.184617 0.121 Uiso 1 1 calc R U . . .
C70 C -0.04621(19) 0.54454(8) -0.1075(2) 0.0714(10) Uani 1 1 d . U . . .
H70A H -0.089858 0.529974 -0.137973 0.107 Uiso 1 1 calc R U . . .
H70B H -0.070751 0.565845 -0.113305 0.107 Uiso 1 1 calc R U . . .
H70C H -0.037936 0.538894 -0.045832 0.107 Uiso 1 1 calc R U . . .
C71 C 0.56217(14) 0.67531(5) 0.11642(15) 0.0299(5) Uani 1 1 d . U . . .
C72 C 0.59524(14) 0.68323(5) 0.03505(15) 0.0314(5) Uani 1 1 d . U . . .
C73 C 0.66863(15) 0.70429(6) 0.03246(17) 0.0383(6) Uani 1 1 d . U . . .
H73 H 0.692040 0.708909 -0.021871 0.046 Uiso 1 1 calc R U . . .
C74 C 0.70791(16) 0.71851(6) 0.10591(18) 0.0431(6) Uani 1 1 d . U . . .
H74 H 0.757450 0.732924 0.102443 0.052 Uiso 1 1 calc R U . . .
C75 C 0.67455(15) 0.71162(6) 0.18519(17) 0.0395(6) Uani 1 1 d . U . . .
H75 H 0.700885 0.721735 0.236114 0.047 Uiso 1 1 calc R U . . .
C76 C 0.60321(15) 0.69017(6) 0.19186(16) 0.0346(5) Uani 1 1 d . U . . .
C77 C 0.57000(16) 0.68343(7) 0.28080(17) 0.0411(6) Uani 1 1 d . U . . .
H77 H 0.5527(16) 0.6603(6) 0.2834(15) 0.039(7) Uiso 1 1 d . . . . .
C78 C 0.64372(18) 0.68879(7) 0.35662(18) 0.0533(7) Uani 1 1 d . U . . .
H78A H 0.701279 0.678126 0.344514 0.080 Uiso 1 1 calc R U . . .
H78B H 0.621364 0.680417 0.410225 0.080 Uiso 1 1 calc R U . . .
H78C H 0.655559 0.711232 0.363493 0.080 Uiso 1 1 calc R U . . .
C79 C 0.48262(19) 0.70115(8) 0.2983(2) 0.0457(7) Uani 1 1 d . U . . .
H79A H 0.428(2) 0.6999(7) 0.252(2) 0.078(10) Uiso 1 1 d . . . . .
H79B H 0.500(2) 0.7235(8) 0.309(2) 0.075(10) Uiso 1 1 d . . . . .
H79C H 0.457(2) 0.6926(7) 0.350(2) 0.061(9) Uiso 1 1 d . . . . .
C80 C 0.54975(15) 0.67188(6) -0.05170(15) 0.0352(5) Uani 1 1 d . U . . .
H80 H 0.491594 0.660550 -0.039874 0.042 Uiso 1 1 calc R U . . .
C81 C 0.52246(16) 0.69952(6) -0.11101(17) 0.0410(6) Uani 1 1 d . U . . .
H81A H 0.487747 0.714789 -0.079126 0.061 Uiso 1 1 calc R U . . .
H81B H 0.483590 0.692128 -0.161814 0.061 Uiso 1 1 calc R U . . .
H81C H 0.578532 0.709381 -0.130109 0.061 Uiso 1 1 calc R U . . .
C82 C 0.61019(19) 0.64940(6) -0.09925(17) 0.0484(7) Uani 1 1 d . U . . .
H82A H 0.668826 0.659663 -0.109801 0.073 Uiso 1 1 calc R U . . .
H82B H 0.577616 0.643388 -0.154879 0.073 Uiso 1 1 calc R U . . .
H82C H 0.622910 0.630705 -0.063595 0.073 Uiso 1 1 calc R U . . .
C83 C 0.05952(14) 0.63762(5) 0.07948(15) 0.0313(5) Uani 1 1 d . U . . .
C84 C 0.03051(14) 0.63249(6) 0.16491(15) 0.0330(5) Uani 1 1 d . U . . .
C85 C -0.04537(15) 0.64889(6) 0.19298(17) 0.0394(6) Uani 1 1 d . U . . .
H85 H -0.060472 0.646600 0.251417 0.047 Uiso 1 1 calc R U . . .
C86 C -0.09887(15) 0.66833(6) 0.13774(17) 0.0404(6) Uani 1 1 d . U . . .
H86 H -0.148540 0.680008 0.158288 0.048 Uiso 1 1 calc R U . . .
C87 C -0.07857(15) 0.67039(6) 0.05228(17) 0.0384(6) Uani 1 1 d . U . . .
H87 H -0.118144 0.682364 0.012969 0.046 Uiso 1 1 calc R U . . .
C88 C -0.00127(14) 0.65538(6) 0.02117(16) 0.0340(5) Uani 1 1 d . U . . .
C89 C 0.00876(15) 0.65868(6) -0.07628(15) 0.0360(6) Uani 1 1 d . U . . .
H89 H 0.070117 0.649722 -0.088947 0.043 Uiso 1 1 calc R U . . .
C90 C -0.06758(17) 0.64031(7) -0.12879(18) 0.0477(7) Uani 1 1 d . U . . .
H90A H -0.128020 0.649822 -0.121018 0.072 Uiso 1 1 calc R U . . .
H90B H -0.067434 0.618618 -0.108439 0.072 Uiso 1 1 calc R U . . .
H90C H -0.056096 0.640742 -0.190496 0.072 Uiso 1 1 calc R U . . .
C91 C 0.00493(17) 0.69245(6) -0.10748(17) 0.0431(6) Uani 1 1 d . U . . .
H91A H 0.012780 0.693091 -0.169928 0.065 Uiso 1 1 calc R U . . .
H91B H 0.054759 0.704428 -0.076089 0.065 Uiso 1 1 calc R U . . .
H91C H -0.055200 0.701570 -0.096492 0.065 Uiso 1 1 calc R U . . .
C92 C 0.07259(16) 0.60659(6) 0.22191(16) 0.0375(6) Uani 1 1 d . U . . .
H92 H 0.140733 0.605980 0.214906 0.045 Uiso 1 1 calc R U . . .
C93 C 0.05932(19) 0.60921(7) 0.31850(18) 0.0521(7) Uani 1 1 d . U . . .
H93A H -0.006849 0.607520 0.327431 0.078 Uiso 1 1 calc R U . . .
H93B H 0.082873 0.629445 0.340271 0.078 Uiso 1 1 calc R U . . .
H93C H 0.093385 0.592358 0.349961 0.078 Uiso 1 1 calc R U . . .
C94 C 0.02971(19) 0.57606(6) 0.1853(2) 0.0516(7) Uani 1 1 d . U . . .
H94A H 0.052825 0.558495 0.221539 0.077 Uiso 1 1 calc R U . . .
H94B H 0.046935 0.573018 0.125720 0.077 Uiso 1 1 calc R U . . .
H94C H -0.038007 0.577174 0.185130 0.077 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 0.0148 0.0070 '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 0.0008 0.0002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 '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
Li2 Li1 Li4 67.90(17) . . ?
Li2 Li1 C1 111.21(19) . . ?
Li2 Li1 C54 67.07(15) . . ?
Li3 Li1 Li2 135.9(2) . . ?
Li3 Li1 Li4 67.99(17) . . ?
Li3 Li1 C1 66.89(14) . . ?
Li3 Li1 C54 112.51(19) . . ?
Li4 Li1 C1 88.75(15) . . ?
Li4 Li1 C54 88.39(16) . . ?
N1 Li1 Li2 140.0(2) . . ?
N1 Li1 Li3 54.96(15) . . ?
N1 Li1 Li4 105.58(19) . . ?
N1 Li1 N3 88.56(16) . . ?
N1 Li1 N5 149.1(2) . . ?
N1 Li1 N6 111.16(19) . . ?
N1 Li1 C1 29.56(9) . . ?
N1 Li1 C54 152.5(2) . . ?
N3 Li1 Li2 55.49(14) . . ?
N3 Li1 Li3 95.33(17) . . ?
N3 Li1 Li4 51.93(13) . . ?
N3 Li1 C1 59.31(11) . . ?
N3 Li1 C54 118.23(18) . . ?
N5 Li1 Li2 55.13(15) . . ?
N5 Li1 Li3 141.3(2) . . ?
N5 Li1 Li4 105.3(2) . . ?
N5 Li1 N3 110.3(2) . . ?
N5 Li1 N6 88.68(17) . . ?
N5 Li1 C1 151.5(2) . . ?
N5 Li1 C54 29.57(9) . . ?
N6 Li1 Li2 95.47(19) . . ?
N6 Li1 Li3 56.52(14) . . ?
N6 Li1 Li4 51.57(13) . . ?
N6 Li1 N3 103.50(17) . . ?
N6 Li1 C1 118.98(16) . . ?
N6 Li1 C54 59.42(11) . . ?
C54 Li1 C1 177.08(19) . . ?
Li1 Li2 Li4 59.11(15) . . ?
Li1 Li2 C7 117.30(19) . . ?
Li1 Li2 C12 95.93(17) . . ?
Li1 Li2 C54 62.78(14) . . ?
Li1 Li2 C77 108.63(19) . . ?
Li1 Li2 H77 122.8(7) . . ?
Li1 Li2 C79 101.0(2) . . ?
Li1 Li2 H79A 81.1(9) . . ?
Li4 Li2 C54 82.60(14) . . ?
Li4 Li2 C77 167.6(2) . . ?
Li4 Li2 H77 168.2(7) . . ?
Li4 Li2 H79A 120.5(9) . . ?
N2 Li2 Li1 105.4(2) . . ?
N2 Li2 Li4 48.43(13) . . ?
N2 Li2 N3 83.22(15) . . ?
N2 Li2 C7 36.15(10) . . ?
N2 Li2 C12 65.92(13) . . ?
N2 Li2 C54 91.28(16) . . ?
N2 Li2 C77 143.7(2) . . ?
N2 Li2 H77 124.6(7) . . ?
N2 Li2 C79 146.6(2) . . ?
N2 Li2 H79A 148.5(8) . . ?
N3 Li2 Li1 60.55(15) . . ?
N3 Li2 Li4 49.66(12) . . ?
N3 Li2 C7 66.33(13) . . ?
N3 Li2 C12 35.86(9) . . ?
N3 Li2 C54 118.88(18) . . ?
N3 Li2 C77 124.70(19) . . ?
N3 Li2 H77 142.1(7) . . ?
N3 Li2 C79 92.48(16) . . ?
N3 Li2 H79A 73.2(9) . . ?
N5 Li2 Li1 51.60(14) . . ?
N5 Li2 Li4 96.04(18) . . ?
N5 Li2 N2 118.5(2) . . ?
N5 Li2 N3 111.8(2) . . ?
N5 Li2 C7 153.6(2) . . ?
N5 Li2 C12 147.5(2) . . ?
N5 Li2 C54 28.25(9) . . ?
N5 Li2 C77 75.51(14) . . ?
N5 Li2 H77 79.2(7) . . ?
N5 Li2 C79 93.86(17) . . ?
N5 Li2 H79A 90.0(8) . . ?
C7 Li2 Li4 61.93(13) . . ?
C7 Li2 C12 35.45(10) . . ?
C7 Li2 C54 127.39(18) . . ?
C7 Li2 C77 128.46(18) . . ?
C7 Li2 H77 119.3(7) . . ?
C7 Li2 C79 112.42(18) . . ?
C7 Li2 H79A 113.2(8) . . ?
C12 Li2 Li4 61.79(13) . . ?
C12 Li2 C54 144.38(18) . . ?
C12 Li2 C77 121.49(18) . . ?
C12 Li2 H77 126.9(7) . . ?
C12 Li2 C79 91.55(15) . . ?
C12 Li2 H79A 82.9(8) . . ?
C54 Li2 H77 88.4(7) . . ?
C54 Li2 H79A 118.2(8) . . ?
C77 Li2 C54 93.27(13) . . ?
C77 Li2 H77 20.0(7) . . ?
C77 Li2 H79A 51.6(9) . . ?
H77 Li2 H79A 70.6(11) . . ?
C79 Li2 Li4 141.77(19) . . ?
C79 Li2 C54 119.18(16) . . ?
C79 Li2 C77 33.08(9) . . ?
C79 Li2 H77 49.9(7) . . ?
C79 Li2 H79A 22.7(9) . . ?
Li1 Li3 Li4 59.21(16) . . ?
Li1 Li3 C1 63.05(14) . . ?
Li1 Li3 C42 111.33(19) . . ?
Li1 Li3 H42 125.3(7) . . ?
Li1 Li3 C44 103.15(18) . . ?
Li1 Li3 H44B 80.6(7) . . ?
Li1 Li3 C48 118.1(2) . . ?
Li1 Li3 C53 95.52(18) . . ?
Li4 Li3 C1 83.14(14) . . ?
Li4 Li3 H42 165.7(7) . . ?
Li4 Li3 H44B 121.1(7) . . ?
N1 Li3 Li1 51.48(15) . . ?
N1 Li3 Li4 96.29(18) . . ?
N1 Li3 N4 119.7(2) . . ?
N1 Li3 N6 111.00(18) . . ?
N1 Li3 C1 28.46(8) . . ?
N1 Li3 C42 77.46(15) . . ?
N1 Li3 H42 80.3(7) . . ?
N1 Li3 C44 95.98(17) . . ?
N1 Li3 H44B 88.3(7) . . ?
N1 Li3 C48 155.1(2) . . ?
N1 Li3 C53 146.9(2) . . ?
N4 Li3 Li1 106.0(2) . . ?
N4 Li3 Li4 48.70(12) . . ?
N4 Li3 N6 82.93(16) . . ?
N4 Li3 C1 92.32(15) . . ?
N4 Li3 C42 140.86(19) . . ?
N4 Li3 H42 121.2(7) . . ?
N4 Li3 C44 143.2(2) . . ?
N4 Li3 H44B 149.2(7) . . ?
N4 Li3 C48 36.48(10) . . ?
N4 Li3 C53 65.95(13) . . ?
N6 Li3 Li1 59.84(15) . . ?
N6 Li3 Li4 49.04(12) . . ?
N6 Li3 C1 118.45(17) . . ?
N6 Li3 C42 126.13(17) . . ?
N6 Li3 H42 145.1(7) . . ?
N6 Li3 C44 92.90(15) . . ?
N6 Li3 H44B 74.5(7) . . ?
N6 Li3 C48 66.86(13) . . ?
N6 Li3 C53 36.02(9) . . ?
C1 Li3 H42 87.6(7) . . ?
C1 Li3 H44B 116.7(7) . . ?
C42 Li3 Li4 170.36(18) . . ?
C42 Li3 C1 94.19(14) . . ?
C42 Li3 H42 21.3(7) . . ?
C42 Li3 H44B 52.1(7) . . ?
H42 Li3 H44B 72.9(10) . . ?
C44 Li3 Li4 141.86(18) . . ?
C44 Li3 C1 120.99(17) . . ?
C44 Li3 C42 34.04(9) . . ?
C44 Li3 H42 52.4(7) . . ?
C44 Li3 H44B 23.9(7) . . ?
C48 Li3 Li4 62.92(14) . . ?
C48 Li3 C1 128.78(17) . . ?
C48 Li3 C42 124.85(17) . . ?
C48 Li3 H42 116.2(7) . . ?
C48 Li3 C44 108.81(17) . . ?
C48 Li3 H44B 113.6(7) . . ?
C48 Li3 C53 35.74(9) . . ?
C53 Li3 Li4 61.83(13) . . ?
C53 Li3 C1 144.96(18) . . ?
C53 Li3 C42 120.20(17) . . ?
C53 Li3 H42 126.8(7) . . ?
C53 Li3 C44 89.51(15) . . ?
C53 Li3 H44B 83.6(7) . . ?
Li1 Li4 Li2 53.00(14) . . ?
Li1 Li4 Li3 52.80(14) . . ?
Li1 Li4 C7 102.78(17) . . ?
Li1 Li4 C12 86.48(16) . . ?
Li1 Li4 C48 101.66(17) . . ?
Li1 Li4 C53 85.87(15) . . ?
Li3 Li4 Li2 105.79(17) . . ?
N2 Li4 Li1 98.99(17) . . ?
N2 Li4 Li2 47.88(13) . . ?
N2 Li4 Li3 149.36(19) . . ?
N2 Li4 N3 83.83(16) . . ?
N2 Li4 N4 162.4(2) . . ?
N2 Li4 N6 105.58(17) . . ?
N2 Li4 C7 31.85(9) . . ?
N2 Li4 C12 61.17(12) . . ?
N2 Li4 C48 142.5(2) . . ?
N2 Li4 C53 120.74(18) . . ?
N3 Li4 Li1 58.00(14) . . ?
N3 Li4 Li2 50.98(13) . . ?
N3 Li4 Li3 88.82(17) . . ?
N3 Li4 C7 61.89(12) . . ?
N3 Li4 C12 32.56(9) . . ?
N3 Li4 C48 133.66(19) . . ?
N3 Li4 C53 140.27(19) . . ?
N4 Li4 Li1 98.61(18) . . ?
N4 Li4 Li2 148.8(2) . . ?
N4 Li4 Li3 47.51(12) . . ?
N4 Li4 N3 105.46(19) . . ?
N4 Li4 N6 84.16(16) . . ?
N4 Li4 C7 141.30(18) . . ?
N4 Li4 C12 119.87(17) . . ?
N4 Li4 C48 31.34(9) . . ?
N4 Li4 C53 60.90(12) . . ?
N6 Li4 Li1 57.66(14) . . ?
N6 Li4 Li2 89.09(15) . . ?
N6 Li4 Li3 51.78(13) . . ?
N6 Li4 N3 115.65(19) . . ?
N6 Li4 C7 134.54(18) . . ?
N6 Li4 C12 140.63(18) . . ?
N6 Li4 C48 61.99(12) . . ?
N6 Li4 C53 32.72(9) . . ?
C7 Li4 Li2 52.61(12) . . ?
C7 Li4 Li3 150.25(19) . . ?
C7 Li4 C12 32.10(8) . . ?
C7 Li4 C48 155.54(17) . . ?
C7 Li4 C53 151.70(18) . . ?
C12 Li4 Li2 53.73(12) . . ?
C12 Li4 Li3 120.44(18) . . ?
C12 Li4 C48 150.54(16) . . ?
C48 Li4 Li2 150.27(18) . . ?
C48 Li4 Li3 51.79(12) . . ?
C53 Li4 Li2 121.10(16) . . ?
C53 Li4 Li3 53.66(12) . . ?
C53 Li4 C12 172.33(18) . . ?
C53 Li4 C48 32.04(8) . . ?
C24 Li5 C25 33.46(9) . . ?
C24 Li5 C26 59.90(12) . . ?
C24 Li5 C27 70.66(13) . . ?
C24 Li5 C28 59.11(12) . . ?
C24 Li5 C29 33.57(9) . . ?
C24 Li5 C54 96.39(16) . . ?
C24 Li5 C55 97.16(15) . . ?
C25 Li5 C28 66.88(13) . . ?
C25 Li5 C29 57.87(11) . . ?
C25 Li5 C54 118.58(17) . . ?
C26 Li5 C25 32.71(9) . . ?
C26 Li5 C28 56.65(12) . . ?
C26 Li5 C29 67.84(13) . . ?
C26 Li5 C54 151.01(18) . . ?
C27 Li5 C25 58.24(12) . . ?
C27 Li5 C26 32.34(10) . . ?
C27 Li5 C28 31.95(10) . . ?
C27 Li5 C29 58.14(12) . . ?
C27 Li5 C54 159.8(2) . . ?
C28 Li5 C29 32.16(10) . . ?
C54 Li5 C28 128.03(19) . . ?
C54 Li5 C29 102.43(16) . . ?
C55 Li5 C25 101.73(15) . . ?
C55 Li5 C26 126.21(18) . . ?
C55 Li5 C27 158.48(19) . . ?
C55 Li5 C28 152.52(19) . . ?
C55 Li5 C29 120.40(17) . . ?
C55 Li5 C54 34.02(9) . . ?
C56 Li5 C24 123.50(18) . . ?
C56 Li5 C25 111.13(17) . . ?
C56 Li5 C26 117.57(19) . . ?
C56 Li5 C27 140.7(2) . . ?
C56 Li5 C28 172.6(2) . . ?
C56 Li5 C29 153.34(19) . . ?
C56 Li5 C54 59.39(12) . . ?
C56 Li5 C55 33.88(9) . . ?
C57 Li5 C24 158.2(2) . . ?
C57 Li5 C25 138.6(2) . . ?
C57 Li5 C26 125.4(2) . . ?
C57 Li5 C27 126.33(19) . . ?
C57 Li5 C28 142.67(19) . . ?
C57 Li5 C29 163.5(2) . . ?
C57 Li5 C54 70.57(13) . . ?
C57 Li5 C55 62.13(12) . . ?
C57 Li5 C56 34.85(9) . . ?
C57 Li5 C58 34.75(9) . . ?
C57 Li5 C59 60.31(12) . . ?
C58 Li5 C24 151.6(2) . . ?
C58 Li5 C25 173.3(2) . . ?
C58 Li5 C26 146.2(2) . . ?
C58 Li5 C27 124.29(18) . . ?
C58 Li5 C28 118.78(18) . . ?
C58 Li5 C29 128.77(19) . . ?
C58 Li5 C54 61.50(12) . . ?
C58 Li5 C55 74.73(14) . . ?
C58 Li5 C56 62.77(12) . . ?
C58 Li5 C59 34.51(10) . . ?
C59 Li5 C24 117.66(18) . . ?
C59 Li5 C25 148.4(2) . . ?
C59 Li5 C26 171.4(2) . . ?
C59 Li5 C27 139.8(2) . . ?
C59 Li5 C28 114.83(18) . . ?
C59 Li5 C29 105.44(17) . . ?
C59 Li5 C54 33.38(9) . . ?
C59 Li5 C55 61.40(12) . . ?
C59 Li5 C56 70.85(14) . . ?
C2 Li6 C1 33.00(9) . . ?
C2 Li6 C6 61.21(12) . . ?
C2 Li6 C83 117.26(18) . . ?
C2 Li6 C84 146.83(19) . . ?
C2 Li6 C85 175.1(2) . . ?
C2 Li6 C86 143.5(2) . . ?
C2 Li6 C87 117.59(19) . . ?
C2 Li6 C88 106.67(17) . . ?
C3 Li6 C1 61.47(12) . . ?
C3 Li6 C2 34.78(9) . . ?
C3 Li6 C5 63.48(13) . . ?
C3 Li6 C6 75.07(14) . . ?
C3 Li6 C83 151.3(2) . . ?
C3 Li6 C84 172.1(2) . . ?
C3 Li6 C85 146.88(19) . . ?
C3 Li6 C86 125.09(19) . . ?
C3 Li6 C87 119.35(19) . . ?
C3 Li6 C88 129.2(2) . . ?
C4 Li6 C1 71.06(13) . . ?
C4 Li6 C2 61.10(13) . . ?
C4 Li6 C3 35.37(10) . . ?
C4 Li6 C5 35.23(10) . . ?
C4 Li6 C6 62.74(12) . . ?
C4 Li6 C83 158.5(2) . . ?
C4 Li6 C84 137.0(2) . . ?
C4 Li6 C85 122.94(19) . . ?
C4 Li6 C86 123.66(18) . . ?
C4 Li6 C87 141.1(2) . . ?
C4 Li6 C88 164.4(2) . . ?
C5 Li6 C1 59.71(11) . . ?
C5 Li6 C2 71.36(13) . . ?
C5 Li6 C6 34.26(9) . . ?
C5 Li6 C83 123.43(19) . . ?
C5 Li6 C84 108.76(18) . . ?
C5 Li6 C85 113.52(19) . . ?
C5 Li6 C86 136.2(2) . . ?
C5 Li6 C87 168.8(2) . . ?
C5 Li6 C88 154.66(19) . . ?
C6 Li6 C1 33.92(9) . . ?
C6 Li6 C84 99.43(16) . . ?
C6 Li6 C85 122.53(19) . . ?
C6 Li6 C87 154.9(2) . . ?
C6 Li6 C88 121.77(17) . . ?
C83 Li6 C1 96.50(15) . . ?
C83 Li6 C6 97.05(16) . . ?
C83 Li6 C84 33.69(9) . . ?
C83 Li6 C85 60.23(12) . . ?
C83 Li6 C86 71.63(13) . . ?
C83 Li6 C87 60.09(12) . . ?
C83 Li6 C88 33.80(9) . . ?
C84 Li6 C1 116.93(17) . . ?
C85 Li6 C1 148.7(2) . . ?
C85 Li6 C84 32.70(9) . . ?
C85 Li6 C88 68.85(13) . . ?
C86 Li6 C1 163.6(2) . . ?
C86 Li6 C6 155.3(2) . . ?
C86 Li6 C84 58.83(12) . . ?
C86 Li6 C85 32.77(9) . . ?
C86 Li6 C87 32.65(9) . . ?
C86 Li6 C88 59.52(12) . . ?
C87 Li6 C1 131.51(19) . . ?
C87 Li6 C84 67.92(13) . . ?
C87 Li6 C85 57.60(12) . . ?
C87 Li6 C88 33.12(9) . . ?
C88 Li6 C1 104.31(16) . . ?
C88 Li6 C84 58.54(12) . . ?
Li1 N1 Li3 73.56(18) . . ?
C1 N1 Li1 108.82(18) . . ?
C1 N1 Li3 109.38(17) . . ?
C1 N1 C36 114.09(18) . . ?
C36 N1 Li1 123.32(18) . . ?
C36 N1 Li3 121.19(18) . . ?
Li2 N2 Li4 83.70(17) . . ?
C7 N2 Li2 85.45(17) . . ?
C7 N2 Li4 97.93(17) . . ?
C7 N2 C24 121.81(19) . . ?
C24 N2 Li2 122.52(17) . . ?
C24 N2 Li4 131.67(19) . . ?
Li2 N3 Li1 63.95(15) . . ?
Li4 N3 Li1 70.07(15) . . ?
Li4 N3 Li2 79.35(16) . . ?
C6 N3 Li1 98.99(16) . . ?
C6 N3 Li2 147.10(18) . . ?
C6 N3 Li4 123.10(17) . . ?
C6 N3 C12 115.12(17) . . ?
C12 N3 Li1 145.20(17) . . ?
C12 N3 Li2 82.76(16) . . ?
C12 N3 Li4 95.15(17) . . ?
Li3 N4 Li4 83.79(16) . . ?
C48 N4 Li3 84.85(16) . . ?
C48 N4 Li4 99.05(17) . . ?
C48 N4 C83 123.41(18) . . ?
C83 N4 Li3 123.55(19) . . ?
C83 N4 Li4 128.80(18) . . ?
Li1 N5 Li2 73.26(17) . . ?
C54 N5 Li1 108.29(18) . . ?
C54 N5 Li2 109.39(18) . . ?
C54 N5 C71 114.23(17) . . ?
C71 N5 Li1 121.89(19) . . ?
C71 N5 Li2 123.09(18) . . ?
Li3 N6 Li1 63.64(15) . . ?
Li4 N6 Li1 70.77(16) . . ?
Li4 N6 Li3 79.18(16) . . ?
C53 N6 Li1 144.17(17) . . ?
C53 N6 Li3 81.54(15) . . ?
C53 N6 Li4 95.72(16) . . ?
C55 N6 Li1 99.44(16) . . ?
C55 N6 Li3 147.79(18) . . ?
C55 N6 Li4 122.99(17) . . ?
C55 N6 C53 115.28(17) . . ?
Li1 C1 Li3 50.06(12) . . ?
Li6 C1 Li1 124.96(15) . . ?
Li6 C1 Li3 93.33(14) . . ?
N1 C1 Li1 41.62(13) . . ?
N1 C1 Li3 42.17(12) . . ?
N1 C1 Li6 134.20(18) . . ?
N1 C1 C6 121.66(19) . . ?
C2 C1 Li1 160.47(18) . . ?
C2 C1 Li3 120.22(17) . . ?
C2 C1 Li6 67.99(15) . . ?
C2 C1 N1 118.98(19) . . ?
C2 C1 C6 119.36(19) . . ?
C6 C1 Li1 80.10(15) . . ?
C6 C1 Li3 104.09(16) . . ?
C6 C1 Li6 70.39(15) . . ?
Li6 C2 H2 125.2 . . ?
C1 C2 Li6 79.01(16) . . ?
C1 C2 H2 118.0 . . ?
C1 C2 C3 123.9(2) . . ?
C3 C2 Li6 69.43(16) . . ?
C3 C2 H2 118.0 . . ?
C2 C3 Li6 75.79(16) . . ?
C2 C3 C16 121.5(2) . . ?
C4 C3 Li6 71.10(17) . . ?
C4 C3 C2 116.0(2) . . ?
C4 C3 C16 122.3(2) . . ?
C16 C3 Li6 126.52(18) . . ?
Li6 C4 H4 123.2 . . ?
C3 C4 Li6 73.53(18) . . ?
C3 C4 H4 118.5 . . ?
C3 C4 C5 123.0(2) . . ?
C5 C4 Li6 76.17(17) . . ?
C5 C4 H4 118.5 . . ?
C4 C5 Li6 68.60(16) . . ?
C4 C5 C6 121.1(2) . . ?
C4 C5 C13 118.21(19) . . ?
C6 C5 Li6 76.14(16) . . ?
C6 C5 C13 120.1(2) . . ?
C13 C5 Li6 135.14(18) . . ?
N3 C6 Li6 125.34(18) . . ?
N3 C6 C1 120.42(18) . . ?
N3 C6 C5 123.6(2) . . ?
C1 C6 Li6 75.69(15) . . ?
C5 C6 Li6 69.60(15) . . ?
C5 C6 C1 116.0(2) . . ?
Li2 C7 Li4 65.46(14) . . ?
N2 C7 Li2 58.39(15) . . ?
N2 C7 Li4 50.22(13) . . ?
N2 C7 C8 123.3(2) . . ?
N2 C7 C12 117.2(2) . . ?
C8 C7 Li2 142.3(2) . . ?
C8 C7 Li4 149.0(2) . . ?
C8 C7 C12 119.4(2) . . ?
C12 C7 Li2 74.30(16) . . ?
C12 C7 Li4 74.60(15) . . ?
C7 C8 H8 118.7 . . ?
C9 C8 C7 122.5(2) . . ?
C9 C8 H8 118.7 . . ?
C8 C9 C20 122.3(2) . . ?
C10 C9 C8 117.0(2) . . ?
C10 C9 C20 120.6(2) . . ?
C9 C10 H10 118.4 . . ?
C9 C10 C11 123.3(2) . . ?
C11 C10 H10 118.4 . . ?
C10 C11 C13 119.3(2) . . ?
C12 C11 C10 120.3(2) . . ?
C12 C11 C13 120.4(2) . . ?
Li2 C12 Li4 64.48(13) . . ?
N3 C12 Li2 61.38(14) . . ?
N3 C12 Li4 52.29(13) . . ?
N3 C12 C7 117.86(19) . . ?
C7 C12 Li2 70.25(15) . . ?
C7 C12 Li4 73.30(15) . . ?
C11 C12 Li2 143.3(2) . . ?
C11 C12 Li4 151.27(18) . . ?
C11 C12 N3 124.9(2) . . ?
C11 C12 C7 117.3(2) . . ?
C5 C13 C14 107.0(2) . . ?
C5 C13 C15 111.27(19) . . ?
C11 C13 C5 110.14(19) . . ?
C11 C13 C14 109.81(19) . . ?
C11 C13 C15 110.7(2) . . ?
C14 C13 C15 107.9(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C3 108.09(19) . . ?
C17 C16 C19 109.2(2) . . ?
C18 C16 C3 112.0(2) . . ?
C18 C16 C17 110.0(2) . . ?
C18 C16 C19 106.8(2) . . ?
C19 C16 C3 110.71(19) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C9 C20 C21 107.2(3) . . ?
C22 C20 C9 112.9(2) . . ?
C22 C20 C21 107.0(3) . . ?
C22 C20 C23 109.6(3) . . ?
C23 C20 C9 110.6(3) . . ?
C23 C20 C21 109.4(3) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N2 C24 Li5 110.72(17) . . ?
N2 C24 C25 119.28(19) . . ?
N2 C24 C29 123.6(2) . . ?
C25 C24 Li5 75.99(16) . . ?
C25 C24 C29 116.7(2) . . ?
C29 C24 Li5 76.66(16) . . ?
C24 C25 Li5 70.55(16) . . ?
C24 C25 C33 121.7(2) . . ?
C26 C25 Li5 72.68(16) . . ?
C26 C25 C24 120.4(2) . . ?
C26 C25 C33 117.3(2) . . ?
C33 C25 Li5 136.72(19) . . ?
Li5 C26 H26 123.6 . . ?
C25 C26 Li5 74.61(17) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 Li5 73.80(18) . . ?
C27 C26 C25 121.1(2) . . ?
C27 C26 H26 119.4 . . ?
Li5 C27 H27 121.0 . . ?
C26 C27 Li5 73.86(18) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 Li5 75.68(18) . . ?
C28 C27 C26 118.7(2) . . ?
C28 C27 H27 120.6 . . ?
Li5 C28 H28 126.9 . . ?
C27 C28 Li5 72.38(18) . . ?
C27 C28 H28 118.8 . . ?
C27 C28 C29 122.5(2) . . ?
C29 C28 Li5 74.07(17) . . ?
C29 C28 H28 118.8 . . ?
C24 C29 Li5 69.77(15) . . ?
C24 C29 C30 124.0(2) . . ?
C28 C29 Li5 73.78(17) . . ?
C28 C29 C24 119.4(2) . . ?
C28 C29 C30 116.6(2) . . ?
C30 C29 Li5 129.71(19) . . ?
C29 C30 H30 108.4 . . ?
C29 C30 C31 112.8(2) . . ?
C29 C30 C32 110.4(2) . . ?
C31 C30 H30 108.4 . . ?
C31 C30 C32 108.1(2) . . ?
C32 C30 H30 108.4 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C25 C33 H33 108.5 . . ?
C25 C33 C35 106.0(2) . . ?
C34 C33 C25 115.5(2) . . ?
C34 C33 H33 108.5 . . ?
C34 C33 C35 109.7(2) . . ?
C35 C33 H33 108.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37 C36 N1 121.1(2) . . ?
C37 C36 C41 118.1(2) . . ?
C41 C36 N1 120.7(2) . . ?
C36 C37 C45 123.1(2) . . ?
C38 C37 C36 119.4(2) . . ?
C38 C37 C45 117.4(2) . . ?
C37 C38 H38 119.0 . . ?
C39 C38 C37 122.1(2) . . ?
C39 C38 H38 119.0 . . ?
C38 C39 H39 120.6 . . ?
C38 C39 C40 118.9(2) . . ?
C40 C39 H39 120.6 . . ?
C39 C40 H40 119.2 . . ?
C39 C40 C41 121.6(2) . . ?
C41 C40 H40 119.2 . . ?
C36 C41 C42 121.3(2) . . ?
C40 C41 C36 119.9(2) . . ?
C40 C41 C42 118.8(2) . . ?
Li3 C42 H42 42.2(13) . . ?
C41 C42 Li3 97.66(16) . . ?
C41 C42 H42 106.1(13) . . ?
C41 C42 C43 114.2(2) . . ?
C41 C42 C44 112.62(19) . . ?
C43 C42 Li3 144.16(19) . . ?
C43 C42 H42 109.6(13) . . ?
C44 C42 Li3 71.01(16) . . ?
C44 C42 H42 105.5(13) . . ?
C44 C42 C43 108.4(2) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Li3 C44 H44A 87.6(14) . . ?
Li3 C44 H44B 55.7(13) . . ?
Li3 C44 H44C 160.8(14) . . ?
C42 C44 Li3 74.95(16) . . ?
C42 C44 H44A 108.8(14) . . ?
C42 C44 H44B 110.9(14) . . ?
C42 C44 H44C 106.2(14) . . ?
H44A C44 H44B 113(2) . . ?
H44A C44 H44C 109.6(19) . . ?
H44B C44 H44C 107.7(19) . . ?
C37 C45 H45 107.4 . . ?
C37 C45 C46 111.27(19) . . ?
C37 C45 C47 114.0(2) . . ?
C46 C45 H45 107.4 . . ?
C47 C45 H45 107.4 . . ?
C47 C45 C46 108.9(2) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
Li3 C48 Li4 65.30(14) . . ?
N4 C48 Li3 58.67(14) . . ?
N4 C48 Li4 49.60(13) . . ?
N4 C48 C49 124.45(19) . . ?
N4 C48 C53 116.55(19) . . ?
C49 C48 Li3 140.06(19) . . ?
C49 C48 Li4 151.77(18) . . ?
C49 C48 C53 119.0(2) . . ?
C53 C48 Li3 74.91(15) . . ?
C53 C48 Li4 73.64(14) . . ?
C48 C49 H49 118.4 . . ?
C48 C49 C50 123.3(2) . . ?
C50 C49 H49 118.4 . . ?
C49 C50 C67 122.6(2) . . ?
C51 C50 C49 116.8(2) . . ?
C51 C50 C67 120.7(2) . . ?
C50 C51 H51 118.6 . . ?
C50 C51 C52 122.8(2) . . ?
C52 C51 H51 118.6 . . ?
C51 C52 C60 118.4(2) . . ?
C53 C52 C51 120.60(19) . . ?
C53 C52 C60 121.03(19) . . ?
Li3 C53 Li4 64.51(14) . . ?
N6 C53 Li3 62.44(14) . . ?
N6 C53 Li4 51.56(12) . . ?
N6 C53 C48 118.22(18) . . ?
C48 C53 Li3 69.34(15) . . ?
C48 C53 Li4 74.33(14) . . ?
C52 C53 Li3 143.13(19) . . ?
C52 C53 Li4 151.25(18) . . ?
C52 C53 N6 124.32(18) . . ?
C52 C53 C48 117.46(19) . . ?
Li1 C54 Li2 50.16(12) . . ?
Li5 C54 Li1 125.41(14) . . ?
Li5 C54 Li2 93.52(14) . . ?
N5 C54 Li1 42.14(12) . . ?
N5 C54 Li2 42.36(13) . . ?
N5 C54 Li5 134.35(17) . . ?
N5 C54 C55 121.81(18) . . ?
N5 C54 C59 119.32(19) . . ?
C55 C54 Li1 79.73(14) . . ?
C55 C54 Li2 103.89(15) . . ?
C55 C54 Li5 70.97(15) . . ?
C59 C54 Li1 161.21(18) . . ?
C59 C54 Li2 121.41(17) . . ?
C59 C54 Li5 67.71(15) . . ?
C59 C54 C55 118.87(19) . . ?
N6 C55 Li5 126.06(16) . . ?
N6 C55 C54 120.21(18) . . ?
N6 C55 C56 124.01(19) . . ?
C54 C55 Li5 75.00(15) . . ?
C56 C55 Li5 70.30(16) . . ?
C56 C55 C54 115.74(18) . . ?
C55 C56 Li5 75.82(16) . . ?
C55 C56 C60 120.50(19) . . ?
C57 C56 Li5 69.76(15) . . ?
C57 C56 C55 121.7(2) . . ?
C57 C56 C60 117.06(19) . . ?
C60 C56 Li5 135.71(18) . . ?
Li5 C57 H57 124.5 . . ?
C56 C57 Li5 75.39(16) . . ?
C56 C57 H57 118.5 . . ?
C58 C57 Li5 73.17(16) . . ?
C58 C57 C56 122.9(2) . . ?
C58 C57 H57 118.5 . . ?
C57 C58 Li5 72.07(16) . . ?
C57 C58 C59 115.60(19) . . ?
C57 C58 C63 123.6(2) . . ?
C59 C58 Li5 74.31(16) . . ?
C59 C58 C63 120.8(2) . . ?
C63 C58 Li5 125.36(18) . . ?
Li5 C59 H59 123.6 . . ?
C54 C59 Li5 78.91(16) . . ?
C54 C59 H59 117.7 . . ?
C58 C59 Li5 71.18(16) . . ?
C58 C59 C54 124.5(2) . . ?
C58 C59 H59 117.7 . . ?
C52 C60 C56 110.14(18) . . ?
C52 C60 C61 109.15(19) . . ?
C52 C60 C62 110.43(19) . . ?
C56 C60 C61 108.04(19) . . ?
C56 C60 C62 109.9(2) . . ?
C61 C60 C62 109.1(2) . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64 C63 C58 111.84(19) . . ?
C64 C63 C65 107.5(2) . . ?
C64 C63 C66 108.6(2) . . ?
C65 C63 C58 109.79(19) . . ?
C66 C63 C58 109.75(19) . . ?
C66 C63 C65 109.4(2) . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C63 C66 H66A 109.5 . . ?
C63 C66 H66B 109.5 . . ?
C63 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C50 C67 C68 108.0(2) . . ?
C69 C67 C50 111.3(2) . . ?
C69 C67 C68 108.4(3) . . ?
C69 C67 C70 108.9(3) . . ?
C70 C67 C50 112.9(2) . . ?
C70 C67 C68 107.2(3) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70B 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C72 C71 N5 121.2(2) . . ?
C76 C71 N5 120.6(2) . . ?
C76 C71 C72 118.2(2) . . ?
C71 C72 C80 123.30(19) . . ?
C73 C72 C71 119.4(2) . . ?
C73 C72 C80 117.2(2) . . ?
C72 C73 H73 119.0 . . ?
C74 C73 C72 122.0(2) . . ?
C74 C73 H73 119.0 . . ?
C73 C74 H74 120.4 . . ?
C73 C74 C75 119.2(2) . . ?
C75 C74 H74 120.4 . . ?
C74 C75 H75 119.3 . . ?
C74 C75 C76 121.3(2) . . ?
C76 C75 H75 119.3 . . ?
C71 C76 C77 121.1(2) . . ?
C75 C76 C71 120.0(2) . . ?
C75 C76 C77 118.9(2) . . ?
Li2 C77 H77 44.6(13) . . ?
C76 C77 Li2 98.06(17) . . ?
C76 C77 H77 108.4(14) . . ?
C76 C77 C78 114.2(2) . . ?
C78 C77 Li2 143.4(2) . . ?
C78 C77 H77 105.8(14) . . ?
C79 C77 Li2 70.26(17) . . ?
C79 C77 C76 113.2(2) . . ?
C79 C77 H77 105.5(13) . . ?
C79 C77 C78 109.1(2) . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
Li2 C79 H79A 56.2(18) . . ?
Li2 C79 H79B 164.4(19) . . ?
Li2 C79 H79C 82.8(17) . . ?
C77 C79 Li2 76.66(17) . . ?
C77 C79 H79A 117.1(18) . . ?
C77 C79 H79B 107.6(18) . . ?
C77 C79 H79C 109.7(17) . . ?
H79A C79 H79B 110(3) . . ?
H79A C79 H79C 103(2) . . ?
H79B C79 H79C 109(2) . . ?
C72 C80 H80 107.7 . . ?
C72 C80 C81 110.6(2) . . ?
C72 C80 C82 113.60(19) . . ?
C81 C80 H80 107.7 . . ?
C82 C80 H80 107.7 . . ?
C82 C80 C81 109.3(2) . . ?
C80 C81 H81A 109.5 . . ?
C80 C81 H81B 109.5 . . ?
C80 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C80 C82 H82A 109.5 . . ?
C80 C82 H82B 109.5 . . ?
C80 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
N4 C83 Li6 111.76(16) . . ?
N4 C83 C84 117.9(2) . . ?
N4 C83 C88 124.7(2) . . ?
C84 C83 Li6 76.12(17) . . ?
C88 C83 Li6 74.78(17) . . ?
C88 C83 C84 116.85(19) . . ?
C83 C84 Li6 70.19(16) . . ?
C83 C84 C92 120.93(19) . . ?
C85 C84 Li6 71.94(16) . . ?
C85 C84 C83 120.2(2) . . ?
C85 C84 C92 118.4(2) . . ?
C92 C84 Li6 137.40(18) . . ?
Li6 C85 H85 124.5 . . ?
C84 C85 Li6 75.36(16) . . ?
C84 C85 H85 119.2 . . ?
C86 C85 Li6 72.58(17) . . ?
C86 C85 C84 121.6(2) . . ?
C86 C85 H85 119.2 . . ?
Li6 C86 H86 121.3 . . ?
C85 C86 Li6 74.65(17) . . ?
C85 C86 H86 120.7 . . ?
C87 C86 Li6 74.59(17) . . ?
C87 C86 C85 118.5(2) . . ?
C87 C86 H86 120.7 . . ?
Li6 C87 H87 126.4 . . ?
C86 C87 Li6 72.75(17) . . ?
C86 C87 H87 118.9 . . ?
C86 C87 C88 122.3(2) . . ?
C88 C87 Li6 73.93(16) . . ?
C88 C87 H87 118.9 . . ?
C83 C88 Li6 71.42(16) . . ?
C83 C88 C89 124.60(19) . . ?
C87 C88 Li6 72.95(16) . . ?
C87 C88 C83 119.6(2) . . ?
C87 C88 C89 115.7(2) . . ?
C89 C88 Li6 129.35(18) . . ?
C88 C89 H89 108.2 . . ?
C88 C89 C90 110.59(19) . . ?
C90 C89 H89 108.2 . . ?
C91 C89 C88 113.3(2) . . ?
C91 C89 H89 108.2 . . ?
C91 C89 C90 108.3(2) . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C89 C91 H91A 109.5 . . ?
C89 C91 H91B 109.5 . . ?
C89 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C84 C92 H92 108.1 . . ?
C84 C92 C93 116.1(2) . . ?
C84 C92 C94 106.1(2) . . ?
C93 C92 H92 108.1 . . ?
C93 C92 C94 110.2(2) . . ?
C94 C92 H92 108.1 . . ?
C92 C93 H93A 109.5 . . ?
C92 C93 H93B 109.5 . . ?
C92 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C92 C94 H94A 109.5 . . ?
C92 C94 H94B 109.5 . . ?
C92 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 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
Li1 Li2 2.325(6) . ?
Li1 Li3 2.317(5) . ?
Li1 Li4 2.498(5) . ?
Li1 N1 1.890(4) . ?
Li1 N3 2.254(4) . ?
Li1 N5 1.903(4) . ?
Li1 N6 2.236(4) . ?
Li1 C1 2.693(4) . ?
Li1 C54 2.693(4) . ?
Li2 Li4 2.698(5) . ?
Li2 N2 2.013(5) . ?
Li2 N3 2.133(4) . ?
Li2 N5 1.992(4) . ?
Li2 C7 2.356(5) . ?
Li2 C12 2.410(4) . ?
Li2 C54 2.789(4) . ?
Li2 C77 2.703(5) . ?
Li2 H77 2.10(2) . ?
Li2 C79 2.614(5) . ?
Li2 H79A 2.21(3) . ?
Li3 Li4 2.696(6) . ?
Li3 N1 1.978(4) . ?
Li3 N4 2.000(4) . ?
Li3 N6 2.157(4) . ?
Li3 C1 2.779(4) . ?
Li3 C42 2.647(5) . ?
Li3 H42 1.99(2) . ?
Li3 C44 2.591(5) . ?
Li3 H44B 2.18(3) . ?
Li3 C48 2.332(5) . ?
Li3 C53 2.406(5) . ?
Li4 N2 2.030(4) . ?
Li4 N3 2.092(4) . ?
Li4 N4 2.038(4) . ?
Li4 N6 2.073(4) . ?
Li4 C7 2.617(4) . ?
Li4 C12 2.634(4) . ?
Li4 C48 2.643(4) . ?
Li4 C53 2.634(4) . ?
Li5 C24 2.438(4) . ?
Li5 C25 2.509(4) . ?
Li5 C26 2.484(5) . ?
Li5 C27 2.484(5) . ?
Li5 C28 2.525(5) . ?
Li5 C29 2.529(5) . ?
Li5 C54 2.515(5) . ?
Li5 C55 2.462(5) . ?
Li5 C56 2.390(5) . ?
Li5 C57 2.318(5) . ?
Li5 C58 2.332(4) . ?
Li5 C59 2.372(5) . ?
Li6 C1 2.526(4) . ?
Li6 C2 2.386(5) . ?
Li6 C3 2.304(5) . ?
Li6 C4 2.273(5) . ?
Li6 C5 2.371(5) . ?
Li6 C6 2.456(4) . ?
Li6 C83 2.429(5) . ?
Li6 C84 2.507(5) . ?
Li6 C85 2.463(5) . ?
Li6 C86 2.437(4) . ?
Li6 C87 2.461(5) . ?
Li6 C88 2.473(5) . ?
N1 C1 1.404(3) . ?
N1 C36 1.427(3) . ?
N2 C7 1.394(3) . ?
N2 C24 1.410(3) . ?
N3 C6 1.400(3) . ?
N3 C12 1.423(3) . ?
N4 C48 1.392(3) . ?
N4 C83 1.418(3) . ?
N5 C54 1.400(3) . ?
N5 C71 1.430(3) . ?
N6 C53 1.431(3) . ?
N6 C55 1.397(3) . ?
C1 C2 1.402(3) . ?
C1 C6 1.455(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.404(3) . ?
C3 C4 1.391(3) . ?
C3 C16 1.543(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.408(3) . ?
C5 C6 1.424(3) . ?
C5 C13 1.528(3) . ?
C7 C8 1.402(3) . ?
C7 C12 1.452(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.400(3) . ?
C9 C10 1.376(4) . ?
C9 C20 1.534(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.405(3) . ?
C11 C12 1.403(3) . ?
C11 C13 1.517(3) . ?
C13 C14 1.540(4) . ?
C13 C15 1.545(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.520(4) . ?
C16 C18 1.519(4) . ?
C16 C19 1.525(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.599(6) . ?
C20 C22 1.518(4) . ?
C20 C23 1.524(5) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.426(3) . ?
C24 C29 1.437(3) . ?
C25 C26 1.406(3) . ?
C25 C33 1.518(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.384(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.379(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.400(3) . ?
C29 C30 1.511(4) . ?
C30 H30 1.0000 . ?
C30 C31 1.534(4) . ?
C30 C32 1.539(4) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33 1.0000 . ?
C33 C34 1.511(4) . ?
C33 C35 1.551(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.416(3) . ?
C36 C41 1.421(3) . ?
C37 C38 1.398(3) . ?
C37 C45 1.523(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.372(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.381(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.389(3) . ?
C41 C42 1.519(3) . ?
C42 H42 1.07(2) . ?
C42 C43 1.538(3) . ?
C42 C44 1.534(4) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 1.08(3) . ?
C44 H44B 1.07(3) . ?
C44 H44C 1.08(3) . ?
C45 H45 1.0000 . ?
C45 C46 1.534(3) . ?
C45 C47 1.531(3) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.394(3) . ?
C48 C53 1.456(3) . ?
C49 H49 0.9500 . ?
C49 C50 1.395(3) . ?
C50 C51 1.385(3) . ?
C50 C67 1.529(3) . ?
C51 H51 0.9500 . ?
C51 C52 1.405(3) . ?
C52 C53 1.397(3) . ?
C52 C60 1.525(3) . ?
C54 C55 1.457(3) . ?
C54 C59 1.410(3) . ?
C55 C56 1.415(3) . ?
C56 C57 1.412(3) . ?
C56 C60 1.528(3) . ?
C57 H57 0.9500 . ?
C57 C58 1.389(3) . ?
C58 C59 1.396(3) . ?
C58 C63 1.542(3) . ?
C59 H59 0.9500 . ?
C60 C61 1.536(3) . ?
C60 C62 1.544(4) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.517(3) . ?
C63 C65 1.530(3) . ?
C63 C66 1.523(4) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.570(4) . ?
C67 C69 1.515(4) . ?
C67 C70 1.516(4) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.420(3) . ?
C71 C76 1.415(3) . ?
C72 C73 1.395(3) . ?
C72 C80 1.523(3) . ?
C73 H73 0.9500 . ?
C73 C74 1.369(4) . ?
C74 H74 0.9500 . ?
C74 C75 1.383(4) . ?
C75 H75 0.9500 . ?
C75 C76 1.391(3) . ?
C76 C77 1.518(3) . ?
C77 H77 1.02(3) . ?
C77 C78 1.536(3) . ?
C77 C79 1.516(4) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 1.03(3) . ?
C79 H79B 1.00(3) . ?
C79 H79C 0.98(3) . ?
C80 H80 1.0000 . ?
C80 C81 1.528(3) . ?
C80 C82 1.527(3) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 C84 1.432(3) . ?
C83 C88 1.426(3) . ?
C84 C85 1.400(3) . ?
C84 C92 1.512(3) . ?
C85 H85 0.9500 . ?
C85 C86 1.383(3) . ?
C86 H86 0.9500 . ?
C86 C87 1.377(3) . ?
C87 H87 0.9500 . ?
C87 C88 1.406(3) . ?
C88 C89 1.529(3) . ?
C89 H89 1.0000 . ?
C89 C90 1.533(3) . ?
C89 C91 1.523(3) . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92 1.0000 . ?
C92 C93 1.523(3) . ?
C92 C94 1.535(4) . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 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 N1 C1 Li3 -78.6(2) . . . . ?
Li1 N1 C1 Li6 -96.2(3) . . . . ?
Li1 N1 C1 C2 177.1(2) . . . . ?
Li1 N1 C1 C6 -3.4(3) . . . . ?
Li1 N1 C36 C37 -76.1(3) . . . . ?
Li1 N1 C36 C41 101.0(3) . . . . ?
Li1 N3 C6 Li6 105.6(2) . . . . ?
Li1 N3 C6 C1 11.9(2) . . . . ?
Li1 N3 C6 C5 -166.8(2) . . . . ?
Li1 N3 C12 Li2 16.6(3) . . . . ?
Li1 N3 C12 Li4 -62.0(3) . . . . ?
Li1 N3 C12 C7 -27.0(4) . . . . ?
Li1 N3 C12 C11 153.7(3) . . . . ?
Li1 N5 C54 Li2 -78.2(2) . . . . ?
Li1 N5 C54 Li5 -97.3(3) . . . . ?
Li1 N5 C54 C55 -3.3(3) . . . . ?
Li1 N5 C54 C59 176.1(2) . . . . ?
Li1 N5 C71 C72 -76.3(3) . . . . ?
Li1 N5 C71 C76 100.7(3) . . . . ?
Li1 N6 C53 Li3 13.4(3) . . . . ?
Li1 N6 C53 Li4 -64.7(3) . . . . ?
Li1 N6 C53 C48 -29.6(4) . . . . ?
Li1 N6 C53 C52 150.8(3) . . . . ?
Li1 N6 C55 Li5 105.1(2) . . . . ?
Li1 N6 C55 C54 12.0(2) . . . . ?
Li1 N6 C55 C56 -165.6(2) . . . . ?
Li1 C1 C2 Li6 135.2(5) . . . . ?
Li1 C1 C2 C3 -169.0(4) . . . . ?
Li1 C1 C6 Li6 -132.82(15) . . . . ?
Li1 C1 C6 N3 -10.0(2) . . . . ?
Li1 C1 C6 C5 168.8(2) . . . . ?
Li1 C54 C55 Li5 -133.26(14) . . . . ?
Li1 C54 C55 N6 -10.0(2) . . . . ?
Li1 C54 C55 C56 167.8(2) . . . . ?
Li1 C54 C59 Li5 137.7(6) . . . . ?
Li1 C54 C59 C58 -164.6(5) . . . . ?
Li2 Li1 N1 Li3 -121.9(4) . . . . ?
Li2 Li1 N1 C1 -16.5(4) . . . . ?
Li2 Li1 N1 C36 121.2(3) . . . . ?
Li2 N2 C7 Li4 82.98(17) . . . . ?
Li2 N2 C7 C8 -135.0(2) . . . . ?
Li2 N2 C7 C12 47.7(2) . . . . ?
Li2 N2 C24 Li5 -55.6(3) . . . . ?
Li2 N2 C24 C25 -140.8(2) . . . . ?
Li2 N2 C24 C29 31.8(3) . . . . ?
Li2 N3 C6 Li6 160.6(3) . . . . ?
Li2 N3 C6 C1 66.9(4) . . . . ?
Li2 N3 C6 C5 -111.8(3) . . . . ?
Li2 N3 C12 Li4 -78.55(16) . . . . ?
Li2 N3 C12 C7 -43.6(2) . . . . ?
Li2 N3 C12 C11 137.1(2) . . . . ?
Li2 N5 C54 Li1 78.2(2) . . . . ?
Li2 N5 C54 Li5 -19.1(3) . . . . ?
Li2 N5 C54 C55 74.9(2) . . . . ?
Li2 N5 C54 C59 -105.7(2) . . . . ?
Li2 N5 C71 C72 -166.3(2) . . . . ?
Li2 N5 C71 C76 10.7(3) . . . . ?
Li2 C7 C8 C9 100.0(4) . . . . ?
Li2 C7 C12 Li4 68.27(14) . . . . ?
Li2 C7 C12 N3 40.0(2) . . . . ?
Li2 C7 C12 C11 -140.6(2) . . . . ?
Li2 C54 C55 Li5 -88.95(15) . . . . ?
Li2 C54 C55 N6 34.4(2) . . . . ?
Li2 C54 C55 C56 -147.85(18) . . . . ?
Li2 C54 C59 Li5 80.06(19) . . . . ?
Li2 C54 C59 C58 137.8(2) . . . . ?
Li3 Li1 N1 C1 105.36(19) . . . . ?
Li3 Li1 N1 C36 -116.9(2) . . . . ?
Li3 N1 C1 Li1 78.6(2) . . . . ?
Li3 N1 C1 Li6 -17.6(3) . . . . ?
Li3 N1 C1 C2 -104.2(2) . . . . ?
Li3 N1 C1 C6 75.2(2) . . . . ?
Li3 N1 C36 C37 -166.21(19) . . . . ?
Li3 N1 C36 C41 10.9(3) . . . . ?
Li3 N4 C48 Li4 82.85(17) . . . . ?
Li3 N4 C48 C49 -132.1(2) . . . . ?
Li3 N4 C48 C53 49.9(2) . . . . ?
Li3 N4 C83 Li6 -51.6(3) . . . . ?
Li3 N4 C83 C84 -137.0(2) . . . . ?
Li3 N4 C83 C88 34.5(3) . . . . ?
Li3 N6 C53 Li4 -78.14(16) . . . . ?
Li3 N6 C53 C48 -43.0(2) . . . . ?
Li3 N6 C53 C52 137.4(2) . . . . ?
Li3 N6 C55 Li5 159.6(3) . . . . ?
Li3 N6 C55 C54 66.5(4) . . . . ?
Li3 N6 C55 C56 -111.1(3) . . . . ?
Li3 C1 C2 Li6 80.62(18) . . . . ?
Li3 C1 C2 C3 136.4(2) . . . . ?
Li3 C1 C6 Li6 -88.52(15) . . . . ?
Li3 C1 C6 N3 34.3(2) . . . . ?
Li3 C1 C6 C5 -146.87(18) . . . . ?
Li3 C48 C49 C50 100.0(3) . . . . ?
Li3 C48 C53 Li4 68.16(14) . . . . ?
Li3 C48 C53 N6 40.2(2) . . . . ?
Li3 C48 C53 C52 -140.1(2) . . . . ?
Li4 Li1 N1 Li3 -47.87(19) . . . . ?
Li4 Li1 N1 C1 57.5(2) . . . . ?
Li4 Li1 N1 C36 -164.76(19) . . . . ?
Li4 N2 C7 Li2 -82.98(17) . . . . ?
Li4 N2 C7 C8 142.0(2) . . . . ?
Li4 N2 C7 C12 -35.3(2) . . . . ?
Li4 N2 C24 Li5 57.5(3) . . . . ?
Li4 N2 C24 C25 -27.6(3) . . . . ?
Li4 N2 C24 C29 144.9(2) . . . . ?
Li4 N3 C6 Li6 33.6(3) . . . . ?
Li4 N3 C6 C1 -60.1(3) . . . . ?
Li4 N3 C6 C5 121.2(2) . . . . ?
Li4 N3 C12 Li2 78.55(16) . . . . ?
Li4 N3 C12 C7 34.9(2) . . . . ?
Li4 N3 C12 C11 -144.3(2) . . . . ?
Li4 N4 C48 Li3 -82.85(17) . . . . ?
Li4 N4 C48 C49 145.0(2) . . . . ?
Li4 N4 C48 C53 -33.0(2) . . . . ?
Li4 N4 C83 Li6 59.9(3) . . . . ?
Li4 N4 C83 C84 -25.5(3) . . . . ?
Li4 N4 C83 C88 146.0(2) . . . . ?
Li4 N6 C53 Li3 78.14(16) . . . . ?
Li4 N6 C53 C48 35.2(2) . . . . ?
Li4 N6 C53 C52 -144.4(2) . . . . ?
Li4 N6 C55 Li5 31.9(3) . . . . ?
Li4 N6 C55 C54 -61.1(3) . . . . ?
Li4 N6 C55 C56 121.3(2) . . . . ?
Li4 C7 C8 C9 -113.2(4) . . . . ?
Li4 C7 C12 Li2 -68.27(14) . . . . ?
Li4 C7 C12 N3 -28.23(18) . . . . ?
Li4 C7 C12 C11 151.1(2) . . . . ?
Li4 C48 C49 C50 -111.9(4) . . . . ?
Li4 C48 C53 Li3 -68.16(14) . . . . ?
Li4 C48 C53 N6 -27.94(19) . . . . ?
Li4 C48 C53 C52 151.7(2) . . . . ?
Li5 C24 C25 C26 55.0(2) . . . . ?
Li5 C24 C25 C33 -133.6(2) . . . . ?
Li5 C24 C29 C28 -56.7(2) . . . . ?
Li5 C24 C29 C30 124.9(2) . . . . ?
Li5 C25 C26 C27 59.7(2) . . . . ?
Li5 C25 C33 C34 53.0(4) . . . . ?
Li5 C25 C33 C35 174.7(2) . . . . ?
Li5 C26 C27 C28 63.1(2) . . . . ?
Li5 C27 C28 C29 57.1(2) . . . . ?
Li5 C28 C29 C24 54.7(2) . . . . ?
Li5 C28 C29 C30 -126.8(2) . . . . ?
Li5 C29 C30 C31 -41.9(3) . . . . ?
Li5 C29 C30 C32 -163.0(2) . . . . ?
Li5 C54 C55 N6 123.3(2) . . . . ?
Li5 C54 C55 C56 -58.90(19) . . . . ?
Li5 C54 C59 C58 57.7(2) . . . . ?
Li5 C55 C56 C57 -54.8(2) . . . . ?
Li5 C55 C56 C60 135.1(2) . . . . ?
Li5 C56 C57 C58 -58.3(2) . . . . ?
Li5 C56 C60 C52 77.8(3) . . . . ?
Li5 C56 C60 C61 -163.1(2) . . . . ?
Li5 C56 C60 C62 -44.2(3) . . . . ?
Li5 C57 C58 C59 -62.0(2) . . . . ?
Li5 C57 C58 C63 121.0(2) . . . . ?
Li5 C58 C59 C54 -61.2(2) . . . . ?
Li5 C58 C63 C64 95.0(3) . . . . ?
Li5 C58 C63 C65 -145.7(2) . . . . ?
Li5 C58 C63 C66 -25.5(3) . . . . ?
Li6 C1 C2 C3 55.8(2) . . . . ?
Li6 C1 C6 N3 122.9(2) . . . . ?
Li6 C1 C6 C5 -58.36(19) . . . . ?
Li6 C2 C3 C4 60.3(2) . . . . ?
Li6 C2 C3 C16 -124.4(2) . . . . ?
Li6 C3 C4 C5 60.7(2) . . . . ?
Li6 C3 C16 C17 174.5(2) . . . . ?
Li6 C3 C16 C18 -64.2(3) . . . . ?
Li6 C3 C16 C19 54.9(3) . . . . ?
Li6 C4 C5 C6 57.5(2) . . . . ?
Li6 C4 C5 C13 -130.8(2) . . . . ?
Li6 C5 C6 N3 -119.6(2) . . . . ?
Li6 C5 C6 C1 61.7(2) . . . . ?
Li6 C5 C13 C11 74.7(3) . . . . ?
Li6 C5 C13 C14 -166.0(2) . . . . ?
Li6 C5 C13 C15 -48.5(3) . . . . ?
Li6 C83 C84 C85 53.8(2) . . . . ?
Li6 C83 C84 C92 -134.1(2) . . . . ?
Li6 C83 C88 C87 -56.8(2) . . . . ?
Li6 C83 C88 C89 125.5(2) . . . . ?
Li6 C84 C85 C86 58.4(2) . . . . ?
Li6 C84 C92 C93 68.3(3) . . . . ?
Li6 C84 C92 C94 -169.0(2) . . . . ?
Li6 C85 C86 C87 62.4(2) . . . . ?
Li6 C86 C87 C88 57.4(2) . . . . ?
Li6 C87 C88 C83 56.1(2) . . . . ?
Li6 C87 C88 C89 -126.0(2) . . . . ?
Li6 C88 C89 C90 -158.0(2) . . . . ?
Li6 C88 C89 C91 -36.3(3) . . . . ?
N1 C1 C2 Li6 129.5(2) . . . . ?
N1 C1 C2 C3 -174.7(2) . . . . ?
N1 C1 C6 Li6 -130.5(2) . . . . ?
N1 C1 C6 N3 -7.7(3) . . . . ?
N1 C1 C6 C5 171.12(19) . . . . ?
N1 C36 C37 C38 -179.77(19) . . . . ?
N1 C36 C37 C45 4.9(3) . . . . ?
N1 C36 C41 C40 -178.88(18) . . . . ?
N1 C36 C41 C42 1.2(3) . . . . ?
N2 C7 C8 C9 179.9(2) . . . . ?
N2 C7 C12 Li2 -40.85(19) . . . . ?
N2 C7 C12 Li4 27.42(18) . . . . ?
N2 C7 C12 N3 -0.8(3) . . . . ?
N2 C7 C12 C11 178.5(2) . . . . ?
N2 C24 C25 Li5 106.2(2) . . . . ?
N2 C24 C25 C26 161.1(2) . . . . ?
N2 C24 C25 C33 -27.4(3) . . . . ?
N2 C24 C29 Li5 -106.2(2) . . . . ?
N2 C24 C29 C28 -162.9(2) . . . . ?
N2 C24 C29 C30 18.7(4) . . . . ?
N3 Li1 N1 Li3 -97.53(17) . . . . ?
N3 Li1 N1 C1 7.8(2) . . . . ?
N3 Li1 N1 C36 145.58(18) . . . . ?
N4 C48 C49 C50 -179.3(2) . . . . ?
N4 C48 C53 Li3 -42.56(19) . . . . ?
N4 C48 C53 Li4 25.61(19) . . . . ?
N4 C48 C53 N6 -2.3(3) . . . . ?
N4 C48 C53 C52 177.3(2) . . . . ?
N4 C83 C84 Li6 107.5(2) . . . . ?
N4 C83 C84 C85 161.3(2) . . . . ?
N4 C83 C84 C92 -26.6(3) . . . . ?
N4 C83 C88 Li6 -106.2(2) . . . . ?
N4 C83 C88 C87 -163.0(2) . . . . ?
N4 C83 C88 C89 19.3(4) . . . . ?
N5 Li1 N1 Li3 133.1(5) . . . . ?
N5 Li1 N1 C1 -121.5(5) . . . . ?
N5 Li1 N1 C36 16.3(6) . . . . ?
N5 C54 C55 Li5 -131.0(2) . . . . ?
N5 C54 C55 N6 -7.7(3) . . . . ?
N5 C54 C55 C56 170.09(19) . . . . ?
N5 C54 C59 Li5 129.5(2) . . . . ?
N5 C54 C59 C58 -172.7(2) . . . . ?
N5 C71 C72 C73 179.44(19) . . . . ?
N5 C71 C72 C80 4.4(3) . . . . ?
N5 C71 C76 C75 -177.8(2) . . . . ?
N5 C71 C76 C77 1.5(3) . . . . ?
N6 Li1 N1 Li3 6.40(18) . . . . ?
N6 Li1 N1 C1 111.8(2) . . . . ?
N6 Li1 N1 C36 -110.5(2) . . . . ?
N6 C55 C56 Li5 -120.8(2) . . . . ?
N6 C55 C56 C57 -175.7(2) . . . . ?
N6 C55 C56 C60 14.2(3) . . . . ?
C1 Li1 N1 Li3 -105.36(19) . . . . ?
C1 Li1 N1 C36 137.8(3) . . . . ?
C1 N1 C36 C37 59.7(2) . . . . ?
C1 N1 C36 C41 -123.2(2) . . . . ?
C1 C2 C3 Li6 -60.2(2) . . . . ?
C1 C2 C3 C4 0.2(3) . . . . ?
C1 C2 C3 C16 175.5(2) . . . . ?
C2 C1 C6 Li6 48.9(2) . . . . ?
C2 C1 C6 N3 171.79(19) . . . . ?
C2 C1 C6 C5 -9.4(3) . . . . ?
C2 C3 C4 Li6 -62.9(2) . . . . ?
C2 C3 C4 C5 -2.2(3) . . . . ?
C2 C3 C16 C17 -90.0(3) . . . . ?
C2 C3 C16 C18 31.3(3) . . . . ?
C2 C3 C16 C19 150.4(2) . . . . ?
C3 C4 C5 Li6 -59.5(2) . . . . ?
C3 C4 C5 C6 -2.0(4) . . . . ?
C3 C4 C5 C13 169.7(2) . . . . ?
C4 C3 C16 C17 84.9(3) . . . . ?
C4 C3 C16 C18 -153.7(2) . . . . ?
C4 C3 C16 C19 -34.6(3) . . . . ?
C4 C5 C6 Li6 -54.0(2) . . . . ?
C4 C5 C6 N3 -173.6(2) . . . . ?
C4 C5 C6 C1 7.7(3) . . . . ?
C4 C5 C13 C11 161.9(2) . . . . ?
C4 C5 C13 C14 -78.8(2) . . . . ?
C4 C5 C13 C15 38.8(3) . . . . ?
C6 N3 C12 Li2 -151.1(2) . . . . ?
C6 N3 C12 Li4 130.4(2) . . . . ?
C6 N3 C12 C7 165.31(19) . . . . ?
C6 N3 C12 C11 -13.9(3) . . . . ?
C6 C1 C2 Li6 -50.0(2) . . . . ?
C6 C1 C2 C3 5.8(3) . . . . ?
C6 C5 C13 C11 -26.3(3) . . . . ?
C6 C5 C13 C14 93.0(2) . . . . ?
C6 C5 C13 C15 -149.5(2) . . . . ?
C7 N2 C24 Li5 -162.18(19) . . . . ?
C7 N2 C24 C25 112.7(2) . . . . ?
C7 N2 C24 C29 -74.8(3) . . . . ?
C7 C8 C9 C10 1.0(4) . . . . ?
C7 C8 C9 C20 -177.0(3) . . . . ?
C8 C7 C12 Li2 141.7(2) . . . . ?
C8 C7 C12 Li4 -150.0(2) . . . . ?
C8 C7 C12 N3 -178.2(2) . . . . ?
C8 C7 C12 C11 1.1(3) . . . . ?
C8 C9 C10 C11 2.6(4) . . . . ?
C8 C9 C20 C21 101.5(3) . . . . ?
C8 C9 C20 C22 -16.1(5) . . . . ?
C8 C9 C20 C23 -139.3(3) . . . . ?
C9 C10 C11 C12 -4.3(4) . . . . ?
C9 C10 C11 C13 177.1(2) . . . . ?
C10 C9 C20 C21 -76.4(4) . . . . ?
C10 C9 C20 C22 166.0(3) . . . . ?
C10 C9 C20 C23 42.8(5) . . . . ?
C10 C11 C12 Li2 -90.9(4) . . . . ?
C10 C11 C12 Li4 107.8(4) . . . . ?
C10 C11 C12 N3 -178.5(2) . . . . ?
C10 C11 C12 C7 2.3(3) . . . . ?
C10 C11 C13 C5 -162.3(2) . . . . ?
C10 C11 C13 C14 80.2(3) . . . . ?
C10 C11 C13 C15 -38.8(3) . . . . ?
C12 N3 C6 Li6 -81.5(2) . . . . ?
C12 N3 C6 C1 -175.21(19) . . . . ?
C12 N3 C6 C5 6.1(3) . . . . ?
C12 C7 C8 C9 -2.8(4) . . . . ?
C12 C11 C13 C5 19.2(3) . . . . ?
C12 C11 C13 C14 -98.3(3) . . . . ?
C12 C11 C13 C15 142.7(2) . . . . ?
C13 C5 C6 Li6 134.5(2) . . . . ?
C13 C5 C6 N3 14.9(3) . . . . ?
C13 C5 C6 C1 -163.8(2) . . . . ?
C13 C11 C12 Li2 87.6(4) . . . . ?
C13 C11 C12 Li4 -73.6(5) . . . . ?
C13 C11 C12 N3 0.1(3) . . . . ?
C13 C11 C12 C7 -179.2(2) . . . . ?
C16 C3 C4 Li6 121.8(2) . . . . ?
C16 C3 C4 C5 -177.4(2) . . . . ?
C20 C9 C10 C11 -179.4(3) . . . . ?
C24 N2 C7 Li2 125.8(2) . . . . ?
C24 N2 C7 Li4 -151.2(3) . . . . ?
C24 N2 C7 C8 -9.2(3) . . . . ?
C24 N2 C7 C12 173.51(19) . . . . ?
C24 C25 C26 Li5 -54.0(2) . . . . ?
C24 C25 C26 C27 5.7(4) . . . . ?
C24 C25 C33 C34 147.9(2) . . . . ?
C24 C25 C33 C35 -90.4(3) . . . . ?
C24 C29 C30 C31 -132.9(2) . . . . ?
C24 C29 C30 C32 106.0(3) . . . . ?
C25 C24 C29 Li5 66.5(2) . . . . ?
C25 C24 C29 C28 9.9(3) . . . . ?
C25 C24 C29 C30 -168.5(2) . . . . ?
C25 C26 C27 Li5 -60.1(2) . . . . ?
C25 C26 C27 C28 3.0(4) . . . . ?
C26 C25 C33 C34 -40.4(3) . . . . ?
C26 C25 C33 C35 81.3(3) . . . . ?
C26 C27 C28 Li5 -62.1(2) . . . . ?
C26 C27 C28 C29 -5.1(4) . . . . ?
C27 C28 C29 Li5 -56.3(3) . . . . ?
C27 C28 C29 C24 -1.6(4) . . . . ?
C27 C28 C29 C30 176.9(2) . . . . ?
C28 C29 C30 C31 48.7(3) . . . . ?
C28 C29 C30 C32 -72.5(3) . . . . ?
C29 C24 C25 Li5 -66.9(2) . . . . ?
C29 C24 C25 C26 -11.9(3) . . . . ?
C29 C24 C25 C33 159.5(2) . . . . ?
C33 C25 C26 Li5 134.2(2) . . . . ?
C33 C25 C26 C27 -166.1(2) . . . . ?
C36 N1 C1 Li1 -142.0(3) . . . . ?
C36 N1 C1 Li3 139.3(2) . . . . ?
C36 N1 C1 Li6 121.8(2) . . . . ?
C36 N1 C1 C2 35.1(3) . . . . ?
C36 N1 C1 C6 -145.4(2) . . . . ?
C36 C37 C38 C39 -2.5(3) . . . . ?
C36 C37 C45 C46 127.6(2) . . . . ?
C36 C37 C45 C47 -108.7(3) . . . . ?
C36 C41 C42 Li3 -8.4(2) . . . . ?
C36 C41 C42 C43 154.9(2) . . . . ?
C36 C41 C42 C44 -80.9(3) . . . . ?
C37 C36 C41 C40 -1.7(3) . . . . ?
C37 C36 C41 C42 178.38(19) . . . . ?
C37 C38 C39 C40 0.4(3) . . . . ?
C38 C37 C45 C46 -47.9(3) . . . . ?
C38 C37 C45 C47 75.8(3) . . . . ?
C38 C39 C40 C41 1.0(3) . . . . ?
C39 C40 C41 C36 -0.3(3) . . . . ?
C39 C40 C41 C42 179.6(2) . . . . ?
C40 C41 C42 Li3 171.72(18) . . . . ?
C40 C41 C42 C43 -25.1(3) . . . . ?
C40 C41 C42 C44 99.2(2) . . . . ?
C41 C36 C37 C38 3.1(3) . . . . ?
C41 C36 C37 C45 -172.31(19) . . . . ?
C41 C42 C44 Li3 90.54(19) . . . . ?
C43 C42 C44 Li3 -142.1(2) . . . . ?
C45 C37 C38 C39 173.1(2) . . . . ?
C48 N4 C83 Li6 -159.6(2) . . . . ?
C48 N4 C83 C84 115.0(2) . . . . ?
C48 N4 C83 C88 -73.5(3) . . . . ?
C48 C49 C50 C51 1.2(4) . . . . ?
C48 C49 C50 C67 -178.0(2) . . . . ?
C49 C48 C53 Li3 139.3(2) . . . . ?
C49 C48 C53 Li4 -152.5(2) . . . . ?
C49 C48 C53 N6 179.6(2) . . . . ?
C49 C48 C53 C52 -0.8(3) . . . . ?
C49 C50 C51 C52 1.2(4) . . . . ?
C49 C50 C67 C68 100.3(3) . . . . ?
C49 C50 C67 C69 -140.8(3) . . . . ?
C49 C50 C67 C70 -18.1(4) . . . . ?
C50 C51 C52 C53 -3.5(4) . . . . ?
C50 C51 C52 C60 177.2(2) . . . . ?
C51 C50 C67 C68 -78.8(3) . . . . ?
C51 C50 C67 C69 40.0(4) . . . . ?
C51 C50 C67 C70 162.8(3) . . . . ?
C51 C52 C53 Li3 -88.6(3) . . . . ?
C51 C52 C53 Li4 111.4(4) . . . . ?
C51 C52 C53 N6 -177.3(2) . . . . ?
C51 C52 C53 C48 3.1(3) . . . . ?
C51 C52 C60 C56 -164.7(2) . . . . ?
C51 C52 C60 C61 76.8(3) . . . . ?
C51 C52 C60 C62 -43.1(3) . . . . ?
C53 N6 C55 Li5 -84.0(2) . . . . ?
C53 N6 C55 C54 -177.12(19) . . . . ?
C53 N6 C55 C56 5.3(3) . . . . ?
C53 C48 C49 C50 -1.4(3) . . . . ?
C53 C52 C60 C56 15.9(3) . . . . ?
C53 C52 C60 C61 -102.6(3) . . . . ?
C53 C52 C60 C62 137.5(2) . . . . ?
C54 Li1 N1 Li3 70.4(4) . . . . ?
C54 Li1 N1 C1 175.8(4) . . . . ?
C54 Li1 N1 C36 -46.5(5) . . . . ?
C54 N5 C71 C72 57.0(3) . . . . ?
C54 N5 C71 C76 -126.0(2) . . . . ?
C54 C55 C56 Li5 61.5(2) . . . . ?
C54 C55 C56 C57 6.6(3) . . . . ?
C54 C55 C56 C60 -163.46(19) . . . . ?
C55 N6 C53 Li3 -151.1(2) . . . . ?
C55 N6 C53 Li4 130.7(2) . . . . ?
C55 N6 C53 C48 165.89(19) . . . . ?
C55 N6 C53 C52 -13.7(3) . . . . ?
C55 C54 C59 Li5 -51.1(2) . . . . ?
C55 C54 C59 C58 6.7(3) . . . . ?
C55 C56 C57 Li5 57.7(2) . . . . ?
C55 C56 C57 C58 -0.7(3) . . . . ?
C55 C56 C60 C52 -23.6(3) . . . . ?
C55 C56 C60 C61 95.5(2) . . . . ?
C55 C56 C60 C62 -145.5(2) . . . . ?
C56 C57 C58 Li5 59.4(2) . . . . ?
C56 C57 C58 C59 -2.6(3) . . . . ?
C56 C57 C58 C63 -179.6(2) . . . . ?
C57 C56 C60 C52 165.9(2) . . . . ?
C57 C56 C60 C61 -75.0(3) . . . . ?
C57 C56 C60 C62 44.0(3) . . . . ?
C57 C58 C59 Li5 60.7(2) . . . . ?
C57 C58 C59 C54 -0.5(3) . . . . ?
C57 C58 C63 C64 4.0(3) . . . . ?
C57 C58 C63 C65 123.3(3) . . . . ?
C57 C58 C63 C66 -116.5(3) . . . . ?
C59 C54 C55 Li5 49.6(2) . . . . ?
C59 C54 C55 N6 172.9(2) . . . . ?
C59 C54 C55 C56 -9.3(3) . . . . ?
C59 C58 C63 C64 -172.9(2) . . . . ?
C59 C58 C63 C65 -53.6(3) . . . . ?
C59 C58 C63 C66 66.6(3) . . . . ?
C60 C52 C53 Li3 90.8(3) . . . . ?
C60 C52 C53 Li4 -69.2(4) . . . . ?
C60 C52 C53 N6 2.1(3) . . . . ?
C60 C52 C53 C48 -177.5(2) . . . . ?
C60 C56 C57 Li5 -131.9(2) . . . . ?
C60 C56 C57 C58 169.7(2) . . . . ?
C63 C58 C59 Li5 -122.2(2) . . . . ?
C63 C58 C59 C54 176.6(2) . . . . ?
C67 C50 C51 C52 -179.6(2) . . . . ?
C71 N5 C54 Li1 -139.4(3) . . . . ?
C71 N5 C54 Li2 142.5(2) . . . . ?
C71 N5 C54 Li5 123.3(2) . . . . ?
C71 N5 C54 C55 -142.7(2) . . . . ?
C71 N5 C54 C59 36.7(3) . . . . ?
C71 C72 C73 C74 -2.4(3) . . . . ?
C71 C72 C80 C81 123.5(2) . . . . ?
C71 C72 C80 C82 -113.2(2) . . . . ?
C71 C76 C77 Li2 -8.3(3) . . . . ?
C71 C76 C77 C78 154.0(2) . . . . ?
C71 C76 C77 C79 -80.3(3) . . . . ?
C72 C71 C76 C75 -0.7(3) . . . . ?
C72 C71 C76 C77 178.6(2) . . . . ?
C72 C73 C74 C75 0.6(4) . . . . ?
C73 C72 C80 C81 -51.6(3) . . . . ?
C73 C72 C80 C82 71.8(3) . . . . ?
C73 C74 C75 C76 1.2(4) . . . . ?
C74 C75 C76 C71 -1.1(4) . . . . ?
C74 C75 C76 C77 179.6(2) . . . . ?
C75 C76 C77 Li2 170.9(2) . . . . ?
C75 C76 C77 C78 -26.7(3) . . . . ?
C75 C76 C77 C79 99.0(3) . . . . ?
C76 C71 C72 C73 2.3(3) . . . . ?
C76 C71 C72 C80 -172.6(2) . . . . ?
C76 C77 C79 Li2 90.5(2) . . . . ?
C78 C77 C79 Li2 -141.1(2) . . . . ?
C80 C72 C73 C74 172.9(2) . . . . ?
C83 N4 C48 Li3 127.2(2) . . . . ?
C83 N4 C48 Li4 -149.9(3) . . . . ?
C83 N4 C48 C49 -4.9(3) . . . . ?
C83 N4 C48 C53 177.1(2) . . . . ?
C83 C84 C85 Li6 -53.0(2) . . . . ?
C83 C84 C85 C86 5.4(4) . . . . ?
C83 C84 C92 C93 162.2(2) . . . . ?
C83 C84 C92 C94 -75.1(3) . . . . ?
C83 C88 C89 C90 108.3(2) . . . . ?
C83 C88 C89 C91 -130.0(2) . . . . ?
C84 C83 C88 Li6 65.4(2) . . . . ?
C84 C83 C88 C87 8.6(3) . . . . ?
C84 C83 C88 C89 -169.1(2) . . . . ?
C84 C85 C86 Li6 -59.7(2) . . . . ?
C84 C85 C86 C87 2.7(4) . . . . ?
C85 C84 C92 C93 -25.6(3) . . . . ?
C85 C84 C92 C94 97.2(3) . . . . ?
C85 C86 C87 Li6 -62.5(2) . . . . ?
C85 C86 C87 C88 -5.1(4) . . . . ?
C86 C87 C88 Li6 -56.8(2) . . . . ?
C86 C87 C88 C83 -0.8(4) . . . . ?
C86 C87 C88 C89 177.1(2) . . . . ?
C87 C88 C89 C90 -69.5(3) . . . . ?
C87 C88 C89 C91 52.3(3) . . . . ?
C88 C83 C84 Li6 -64.6(2) . . . . ?
C88 C83 C84 C85 -10.9(3) . . . . ?
C88 C83 C84 C92 161.2(2) . . . . ?
C92 C84 C85 Li6 134.7(2) . . . . ?
C92 C84 C85 C86 -166.9(2) . . . . ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.511 0.000 0.000 1139.9 237.5 '4.76 C6H14'
2 0.036 0.160 0.028 13.5 0.0 ?
3 -0.972 0.500 0.500 1139.9 237.5 '4.76 C6H14'
4 -0.036 0.840 -0.028 13.5 0.0 ?
5 0.464 0.660 0.472 13.5 0.0 ?
6 0.536 0.340 0.528 13.5 0.0 ?
