#------------------------------------------------------------------------------
#$Date: 2025-08-18 23:06:14 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301780 $
#$URL: svn://www.crystallography.net/cod/cif/1/55/65/1556507.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_1556507
loop_
_publ_author_name
'Gietz, T.'
'Boere, R.T.'
_publ_section_title
;
 Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid
 Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography
 and DFT Calculations
;
_journal_name_full               Inorganics
_journal_page_first              30
_journal_paper_doi               10.3390/inorganics5020030
_journal_volume                  5
_journal_year                    2017
_chemical_formula_moiety         'C72 H104 Li4 N4 O4'
_chemical_formula_sum            'C72 H104 Li4 N4 O4'
_chemical_formula_weight         1117.35
_chemical_name_systematic
; 
 tetrakis lithio 2-(2,6-diisopropylphenylamino)-3-methylpent
 -2-en-4-one 
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 107.4870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3398(14)
_cell_length_b                   27.504(3)
_cell_length_c                   19.8735(19)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.23
_cell_measurement_theta_min      2.21
_cell_volume                     7475.9(13)
_computing_cell_refinement       'APEX2 (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2006)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2006)'
_computing_publication_material  'IUCr publCIF (Westrip, 2007)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2003)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
;
Bruker ApexII CCD area detector
;
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0921
_diffrn_reflns_av_sigmaI/netI    0.0715
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            88683
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.66
_diffrn_source_type              'Bruker D8'
_exptl_absorpt_coefficient_mu    0.059
_exptl_absorpt_correction_T_max  0.9918
_exptl_absorpt_correction_T_min  0.8738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
SADABS (Sheldrick, 2004)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.993
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2432
_exptl_crystal_size_max          0.69
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.248
_refine_diff_density_min         -0.193
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     785
_refine_ls_number_reflns         13200
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.1168
_refine_ls_R_factor_gt           0.0654
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0982P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1563
_refine_ls_wR_factor_ref         0.1786
_reflns_number_gt                7858
_reflns_number_total             13200
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            Inorganics-2017-5-30.cif
_cod_data_source_block           Complex_3c
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1556507
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.34102(11) 0.30363(6) 0.19007(8) 0.0280(4) Uani 1 1 d . . .
O2 O 0.14420(11) 0.27396(6) 0.11641(8) 0.0261(4) Uani 1 1 d . . .
O3 O 0.19320(11) 0.32101(6) 0.25320(8) 0.0269(4) Uani 1 1 d . . .
O4 O 0.19332(11) 0.37411(6) 0.12844(8) 0.0281(4) Uani 1 1 d . . .
N1 N 0.35282(14) 0.29509(8) 0.05389(10) 0.0311(5) Uani 1 1 d . . .
N2 N 0.19313(14) 0.19350(7) 0.20465(10) 0.0271(5) Uani 1 1 d . . .
N3 N 0.00221(14) 0.35536(7) 0.20981(10) 0.0280(5) Uani 1 1 d . . .
N4 N 0.33166(15) 0.43279(7) 0.22225(11) 0.0325(5) Uani 1 1 d . . .
C1 C 0.4811(2) 0.29571(12) 0.28765(14) 0.0474(8) Uani 1 1 d . . .
H1A H 0.4444 0.2744 0.3101 0.057 Uiso 1 1 calc R . .
H1B H 0.4800 0.3291 0.3048 0.057 Uiso 1 1 calc R . .
H1C H 0.5490 0.2844 0.2994 0.057 Uiso 1 1 calc R . .
C2 C 0.43515(17) 0.29452(9) 0.20874(13) 0.0299(6) Uani 1 1 d . . .
C3 C 0.48705(17) 0.28562(10) 0.16243(14) 0.0341(6) Uani 1 1 d . . .
C4 C 0.5961(2) 0.27387(13) 0.18953(16) 0.0557(9) Uani 1 1 d . . .
H4A H 0.6170 0.2728 0.2412 0.067 Uiso 1 1 calc R . .
H4B H 0.6331 0.2990 0.1737 0.067 Uiso 1 1 calc R . .
H4C H 0.6082 0.2422 0.1711 0.067 Uiso 1 1 calc R . .
C5 C 0.44529(18) 0.28687(10) 0.08615(14) 0.0346(6) Uani 1 1 d . . .
C6 C 0.5181(2) 0.27994(13) 0.04450(15) 0.0524(8) Uani 1 1 d . . .
H6A H 0.4837 0.2822 -0.0061 0.063 Uiso 1 1 calc R . .
H6B H 0.5489 0.2479 0.0551 0.063 Uiso 1 1 calc R . .
H6C H 0.5684 0.3052 0.0578 0.063 Uiso 1 1 calc R . .
C7 C 0.32104(17) 0.29436(10) -0.02212(13) 0.0339(6) Uani 1 1 d . . .
C8 C 0.29365(18) 0.24958(11) -0.05643(14) 0.0381(7) Uani 1 1 d . . .
C9 C 0.2687(2) 0.24939(12) -0.13025(15) 0.0473(8) Uani 1 1 d . . .
H9 H 0.2522 0.2195 -0.1550 0.057 Uiso 1 1 calc R . .
C10 C 0.2677(2) 0.29174(13) -0.16760(15) 0.0486(8) Uani 1 1 d . . .
H10 H 0.2532 0.2907 -0.2175 0.058 Uiso 1 1 calc R . .
C11 C 0.2876(2) 0.33538(13) -0.13292(15) 0.0476(8) Uani 1 1 d . . .
H11 H 0.2830 0.3645 -0.1594 0.057 Uiso 1 1 calc R . .
C12 C 0.31475(19) 0.33792(11) -0.05886(14) 0.0385(7) Uani 1 1 d . . .
C13 C 0.3373(2) 0.38643(11) -0.02154(16) 0.0522(8) Uani 1 1 d . . .
H13 H 0.3218 0.3831 0.0240 0.063 Uiso 1 1 calc R . .
C14 C 0.2744(3) 0.42772(13) -0.0620(2) 0.0816(12) Uani 1 1 d . . .
H14A H 0.2918 0.4343 -0.1052 0.098 Uiso 1 1 calc R . .
H14B H 0.2856 0.4570 -0.0325 0.098 Uiso 1 1 calc R . .
H14C H 0.2053 0.4185 -0.0743 0.098 Uiso 1 1 calc R . .
C15 C 0.4445(3) 0.40044(15) -0.0031(2) 0.0889(13) Uani 1 1 d . . .
H15A H 0.4840 0.3770 0.0306 0.107 Uiso 1 1 calc R . .
H15B H 0.4538 0.4330 0.0179 0.107 Uiso 1 1 calc R . .
H15C H 0.4647 0.4004 -0.0460 0.107 Uiso 1 1 calc R . .
C16 C 0.2906(2) 0.20271(11) -0.01681(15) 0.0445(7) Uani 1 1 d . . .
H16 H 0.2813 0.2121 0.0294 0.053 Uiso 1 1 calc R . .
C17 C 0.2057(3) 0.17019(13) -0.0539(2) 0.0730(11) Uani 1 1 d . . .
H17A H 0.2167 0.1565 -0.0964 0.088 Uiso 1 1 calc R . .
H17B H 0.1451 0.1892 -0.0672 0.088 Uiso 1 1 calc R . .
H17C H 0.2002 0.1438 -0.0222 0.088 Uiso 1 1 calc R . .
C18 C 0.3841(3) 0.17387(15) -0.0002(2) 0.0832(12) Uani 1 1 d . . .
H18A H 0.3763 0.1435 0.0233 0.100 Uiso 1 1 calc R . .
H18B H 0.4375 0.1929 0.0311 0.100 Uiso 1 1 calc R . .
H18C H 0.3992 0.1665 -0.0440 0.100 Uiso 1 1 calc R . .
C19 C 0.0436(2) 0.26564(10) -0.00067(13) 0.0406(7) Uani 1 1 d . . .
H19A H 0.0079 0.2949 0.0052 0.049 Uiso 1 1 calc R . .
H19B H -0.0019 0.2424 -0.0309 0.049 Uiso 1 1 calc R . .
H19C H 0.0941 0.2744 -0.0226 0.049 Uiso 1 1 calc R . .
C20 C 0.09124(17) 0.24276(9) 0.07075(12) 0.0280(6) Uani 1 1 d . . .
C21 C 0.08154(17) 0.19454(9) 0.08447(13) 0.0300(6) Uani 1 1 d . . .
C22 C 0.0124(2) 0.16228(10) 0.02878(15) 0.0475(8) Uani 1 1 d . . .
H22A H -0.0206 0.1819 -0.0127 0.057 Uiso 1 1 calc R . .
H22B H -0.0364 0.1479 0.0483 0.057 Uiso 1 1 calc R . .
H22C H 0.0499 0.1363 0.0151 0.057 Uiso 1 1 calc R . .
C23 C 0.13210(18) 0.17063(9) 0.15149(13) 0.0302(6) Uani 1 1 d . . .
C24 C 0.1127(2) 0.11665(9) 0.15602(15) 0.0421(7) Uani 1 1 d . . .
H24A H 0.1554 0.1037 0.2006 0.051 Uiso 1 1 calc R . .
H24B H 0.1260 0.0997 0.1165 0.051 Uiso 1 1 calc R . .
H24C H 0.0442 0.1117 0.1539 0.051 Uiso 1 1 calc R . .
C25 C 0.23547(18) 0.16899(8) 0.27073(13) 0.0286(6) Uani 1 1 d . . .
C26 C 0.18113(19) 0.16171(9) 0.31806(13) 0.0300(6) Uani 1 1 d . . .
C27 C 0.2286(2) 0.14290(9) 0.38428(14) 0.0383(7) Uani 1 1 d . . .
H27 H 0.1923 0.1374 0.4164 0.046 Uiso 1 1 calc R . .
C28 C 0.3268(2) 0.13189(10) 0.40485(15) 0.0419(7) Uani 1 1 d . . .
H28 H 0.3577 0.1195 0.4508 0.050 Uiso 1 1 calc R . .
C29 C 0.3795(2) 0.13898(10) 0.35832(15) 0.0413(7) Uani 1 1 d . . .
H29 H 0.4472 0.1312 0.3727 0.050 Uiso 1 1 calc R . .
C30 C 0.33640(18) 0.15733(9) 0.29032(14) 0.0332(6) Uani 1 1 d . . .
C31 C 0.39448(19) 0.16372(10) 0.23878(16) 0.0436(7) Uani 1 1 d . . .
H31 H 0.3747 0.1954 0.2139 0.052 Uiso 1 1 calc R . .
C32 C 0.3721(2) 0.12359(12) 0.18312(17) 0.0603(9) Uani 1 1 d . . .
H32A H 0.3835 0.0918 0.2064 0.072 Uiso 1 1 calc R . .
H32B H 0.4149 0.1272 0.1531 0.072 Uiso 1 1 calc R . .
H32C H 0.3037 0.1260 0.1540 0.072 Uiso 1 1 calc R . .
C33 C 0.5061(2) 0.16525(13) 0.2745(2) 0.0659(10) Uani 1 1 d . . .
H33A H 0.5211 0.1884 0.3137 0.079 Uiso 1 1 calc R . .
H33B H 0.5387 0.1754 0.2400 0.079 Uiso 1 1 calc R . .
H33C H 0.5292 0.1328 0.2924 0.079 Uiso 1 1 calc R . .
C34 C 0.07264(19) 0.17351(10) 0.30018(14) 0.0390(7) Uani 1 1 d . . .
H34 H 0.0511 0.1885 0.2521 0.047 Uiso 1 1 calc R . .
C35 C 0.0534(2) 0.21000(11) 0.35220(18) 0.0542(8) Uani 1 1 d . . .
H35A H 0.0749 0.1963 0.3999 0.065 Uiso 1 1 calc R . .
H35B H -0.0168 0.2172 0.3391 0.065 Uiso 1 1 calc R . .
H35C H 0.0896 0.2400 0.3510 0.065 Uiso 1 1 calc R . .
C36 C 0.0105(2) 0.12800(12) 0.29906(18) 0.0583(9) Uani 1 1 d . . .
H36A H 0.0237 0.1040 0.2665 0.070 Uiso 1 1 calc R . .
H36B H -0.0589 0.1368 0.2833 0.070 Uiso 1 1 calc R . .
H36C H 0.0272 0.1141 0.3466 0.070 Uiso 1 1 calc R . .
C37 C 0.26911(19) 0.30062(11) 0.37170(13) 0.0418(7) Uani 1 1 d . . .
H37A H 0.3271 0.3199 0.3728 0.050 Uiso 1 1 calc R . .
H37B H 0.2795 0.2667 0.3605 0.050 Uiso 1 1 calc R . .
H37C H 0.2578 0.3022 0.4179 0.050 Uiso 1 1 calc R . .
C38 C 0.18091(18) 0.32088(9) 0.31589(12) 0.0272(6) Uani 1 1 d . . .
C39 C 0.09786(18) 0.33591(9) 0.33051(13) 0.0295(6) Uani 1 1 d . . .
C40 C 0.0937(2) 0.33480(11) 0.40600(13) 0.0428(7) Uani 1 1 d . . .
H40A H 0.0520 0.3078 0.4116 0.051 Uiso 1 1 calc R . .
H40B H 0.0666 0.3655 0.4167 0.051 Uiso 1 1 calc R . .
H40C H 0.1597 0.3303 0.4384 0.051 Uiso 1 1 calc R . .
C41 C 0.00939(18) 0.35140(9) 0.27679(13) 0.0301(6) Uani 1 1 d . . .
C42 C -0.0781(2) 0.36117(11) 0.30262(14) 0.0433(7) Uani 1 1 d . . .
H42A H -0.1359 0.3671 0.2621 0.052 Uiso 1 1 calc R . .
H42B H -0.0652 0.3898 0.3333 0.052 Uiso 1 1 calc R . .
H42C H -0.0897 0.3329 0.3291 0.052 Uiso 1 1 calc R . .
C43 C -0.08781(17) 0.37249(9) 0.16205(13) 0.0296(6) Uani 1 1 d . . .
C44 C -0.11084(19) 0.42237(10) 0.15756(14) 0.0372(7) Uani 1 1 d . . .
C45 C -0.1985(2) 0.43728(11) 0.10921(15) 0.0420(7) Uani 1 1 d . . .
H45 H -0.2150 0.4708 0.1056 0.050 Uiso 1 1 calc R . .
C46 C -0.2616(2) 0.40432(11) 0.06657(15) 0.0434(7) Uani 1 1 d . . .
H46 H -0.3218 0.4150 0.0349 0.052 Uiso 1 1 calc R . .
C47 C -0.23713(18) 0.35582(11) 0.06999(13) 0.0365(7) Uani 1 1 d . . .
H47 H -0.2805 0.3334 0.0398 0.044 Uiso 1 1 calc R . .
C48 C -0.15019(18) 0.33885(10) 0.11679(13) 0.0316(6) Uani 1 1 d . . .
C49 C -0.12369(18) 0.28503(10) 0.11959(14) 0.0358(7) Uani 1 1 d . . .
H49 H -0.0522 0.2831 0.1251 0.043 Uiso 1 1 calc R . .
C50 C -0.1767(2) 0.25724(11) 0.05245(16) 0.0541(8) Uani 1 1 d . . .
H50A H -0.2461 0.2541 0.0490 0.065 Uiso 1 1 calc R . .
H50B H -0.1478 0.2248 0.0540 0.065 Uiso 1 1 calc R . .
H50C H -0.1703 0.2750 0.0113 0.065 Uiso 1 1 calc R . .
C51 C -0.1401(2) 0.25914(11) 0.18303(15) 0.0466(8) Uani 1 1 d . . .
H51A H -0.0993 0.2742 0.2266 0.056 Uiso 1 1 calc R . .
H51B H -0.1225 0.2248 0.1823 0.056 Uiso 1 1 calc R . .
H51C H -0.2091 0.2618 0.1809 0.056 Uiso 1 1 calc R . .
C52 C -0.0442(2) 0.46051(11) 0.20296(16) 0.0517(8) Uani 1 1 d . . .
H52 H 0.0129 0.4433 0.2359 0.062 Uiso 1 1 calc R . .
C53 C -0.0958(3) 0.48911(13) 0.24775(19) 0.0778(11) Uani 1 1 d . . .
H53A H -0.1491 0.5083 0.2168 0.093 Uiso 1 1 calc R . .
H53B H -0.0488 0.5109 0.2798 0.093 Uiso 1 1 calc R . .
H53C H -0.1224 0.4664 0.2753 0.093 Uiso 1 1 calc R . .
C54 C -0.0049(2) 0.49540(12) 0.15827(19) 0.0644(10) Uani 1 1 d . . .
H54A H 0.0281 0.4769 0.1300 0.077 Uiso 1 1 calc R . .
H54B H 0.0416 0.5179 0.1892 0.077 Uiso 1 1 calc R . .
H54C H -0.0593 0.5138 0.1269 0.077 Uiso 1 1 calc R . .
C55 C 0.0795(2) 0.40797(10) 0.02837(15) 0.0492(8) Uani 1 1 d . . .
H55A H 0.0950 0.3845 -0.0038 0.059 Uiso 1 1 calc R . .
H55B H 0.0622 0.4393 0.0043 0.059 Uiso 1 1 calc R . .
H55C H 0.0243 0.3959 0.0430 0.059 Uiso 1 1 calc R . .
C56 C 0.16832(18) 0.41455(9) 0.09312(13) 0.0308(6) Uani 1 1 d . . .
C57 C 0.21349(19) 0.45836(9) 0.11138(13) 0.0347(6) Uani 1 1 d . . .
C58 C 0.1790(2) 0.50234(10) 0.06403(15) 0.0533(8) Uani 1 1 d . . .
H58A H 0.1344 0.4917 0.0187 0.064 Uiso 1 1 calc R . .
H58B H 0.2355 0.5187 0.0562 0.064 Uiso 1 1 calc R . .
H58C H 0.1448 0.5249 0.0867 0.064 Uiso 1 1 calc R . .
C59 C 0.29313(19) 0.46701(9) 0.17658(14) 0.0349(6) Uani 1 1 d . . .
C60 C 0.3275(2) 0.51911(10) 0.18935(16) 0.0515(8) Uani 1 1 d . . .
H60A H 0.3775 0.5216 0.2353 0.062 Uiso 1 1 calc R . .
H60B H 0.2720 0.5401 0.1889 0.062 Uiso 1 1 calc R . .
H60C H 0.3551 0.5294 0.1522 0.062 Uiso 1 1 calc R . .
C61 C 0.4108(2) 0.44469(9) 0.28419(15) 0.0377(7) Uani 1 1 d . . .
C62 C 0.3904(2) 0.44969(9) 0.34928(14) 0.0406(7) Uani 1 1 d . . .
C63 C 0.4678(3) 0.45842(12) 0.40944(17) 0.0617(9) Uani 1 1 d . . .
H63 H 0.4553 0.4616 0.4536 0.074 Uiso 1 1 calc R . .
C64 C 0.5611(3) 0.46252(14) 0.4069(2) 0.0748(11) Uani 1 1 d . . .
H64 H 0.6126 0.4693 0.4487 0.090 Uiso 1 1 calc R . .
C65 C 0.5815(2) 0.45690(13) 0.3441(2) 0.0692(10) Uani 1 1 d . . .
H65 H 0.6473 0.4591 0.3433 0.083 Uiso 1 1 calc R . .
C66 C 0.5071(2) 0.44793(11) 0.28099(17) 0.0506(8) Uani 1 1 d . . .
C67 C 0.5336(2) 0.44176(14) 0.21270(19) 0.0696(11) Uani 1 1 d . . .
H67 H 0.4730 0.4323 0.1747 0.084 Uiso 1 1 calc R . .
C68 C 0.5739(4) 0.48838(17) 0.1894(3) 0.1080(16) Uani 1 1 d . . .
H68A H 0.6362 0.4969 0.2242 0.130 Uiso 1 1 calc R . .
H68B H 0.5271 0.5149 0.1857 0.130 Uiso 1 1 calc R . .
H68C H 0.5842 0.4831 0.1434 0.130 Uiso 1 1 calc R . .
C69 C 0.6091(3) 0.40153(14) 0.2191(2) 0.0929(14) Uani 1 1 d . . .
H69A H 0.6710 0.4112 0.2535 0.112 Uiso 1 1 calc R . .
H69B H 0.6193 0.3961 0.1731 0.112 Uiso 1 1 calc R . .
H69C H 0.5855 0.3715 0.2349 0.112 Uiso 1 1 calc R . .
C70 C 0.2871(2) 0.44571(10) 0.35265(15) 0.0454(7) Uani 1 1 d . . .
H70 H 0.2530 0.4205 0.3176 0.055 Uiso 1 1 calc R . .
C71 C 0.2316(2) 0.49304(12) 0.33230(18) 0.0639(9) Uani 1 1 d . . .
H71A H 0.2650 0.5188 0.3646 0.077 Uiso 1 1 calc R . .
H71B H 0.1650 0.4891 0.3352 0.077 Uiso 1 1 calc R . .
H71C H 0.2290 0.5017 0.2839 0.077 Uiso 1 1 calc R . .
C72 C 0.2816(3) 0.42958(12) 0.42485(17) 0.0642(10) Uani 1 1 d . . .
H72A H 0.3198 0.3997 0.4391 0.077 Uiso 1 1 calc R . .
H72B H 0.2132 0.4234 0.4222 0.077 Uiso 1 1 calc R . .
H72C H 0.3081 0.4552 0.4596 0.077 Uiso 1 1 calc R . .
Li1 Li 0.2511(3) 0.31308(15) 0.1005(2) 0.0288(9) Uani 1 1 d . . .
Li2 Li 0.2319(3) 0.26388(14) 0.2066(2) 0.0274(9) Uani 1 1 d . . .
Li3 Li 0.1044(3) 0.33415(15) 0.1646(2) 0.0286(9) Uani 1 1 d . . .
Li4 Li 0.2851(3) 0.36348(14) 0.2166(2) 0.0300(10) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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
C2 O1 Li1 130.58(19) . .
C2 O1 Li4 123.38(19) . .
Li1 O1 Li4 85.38(18) . .
C2 O1 Li2 129.32(19) . .
Li1 O1 Li2 83.31(17) . .
Li4 O1 Li2 90.64(18) . .
C20 O2 Li2 130.30(19) . .
C20 O2 Li1 124.17(18) . .
Li2 O2 Li1 84.47(17) . .
C20 O2 Li3 131.17(18) . .
Li2 O2 Li3 82.82(17) . .
Li1 O2 Li3 88.46(17) . .
C38 O3 Li3 130.35(19) . .
C38 O3 Li2 125.30(18) . .
Li3 O3 Li2 85.44(18) . .
C38 O3 Li4 128.54(18) . .
Li3 O3 Li4 83.37(18) . .
Li2 O3 Li4 89.22(17) . .
C56 O4 Li4 129.66(19) . .
C56 O4 Li3 124.50(19) . .
Li4 O4 Li3 85.50(18) . .
C56 O4 Li1 128.93(19) . .
Li4 O4 Li1 84.06(17) . .
Li3 O4 Li1 90.00(17) . .
C5 N1 C7 117.8(2) . .
C5 N1 Li1 125.9(2) . .
C7 N1 Li1 116.22(18) . .
C23 N2 C25 120.5(2) . .
C23 N2 Li2 126.2(2) . .
C25 N2 Li2 113.27(18) . .
C41 N3 C43 118.8(2) . .
C41 N3 Li3 125.6(2) . .
C43 N3 Li3 115.45(18) . .
C59 N4 C61 119.3(2) . .
C59 N4 Li4 125.4(2) . .
C61 N4 Li4 115.2(2) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 C2 C3 124.4(2) . .
O1 C2 C1 112.4(2) . .
C3 C2 C1 123.2(2) . .
C2 C3 C5 124.1(2) . .
C2 C3 C4 120.4(2) . .
C5 C3 C4 115.5(2) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N1 C5 C3 123.7(2) . .
N1 C5 C6 120.9(2) . .
C3 C5 C6 115.3(2) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C12 C7 C8 122.4(2) . .
C12 C7 N1 119.2(2) . .
C8 C7 N1 118.4(2) . .
C9 C8 C7 117.2(3) . .
C9 C8 C16 120.1(3) . .
C7 C8 C16 122.7(2) . .
C10 C9 C8 121.2(3) . .
C10 C9 H9 119.4 . .
C8 C9 H9 119.4 . .
C11 C10 C9 120.1(3) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C10 C11 C12 121.3(3) . .
C10 C11 H11 119.3 . .
C12 C11 H11 119.3 . .
C7 C12 C11 117.4(3) . .
C7 C12 C13 122.1(2) . .
C11 C12 C13 120.5(3) . .
C12 C13 C15 113.2(3) . .
C12 C13 C14 113.2(3) . .
C15 C13 C14 109.5(3) . .
C12 C13 H13 106.8 . .
C15 C13 H13 106.8 . .
C14 C13 H13 106.8 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C18 C16 C17 109.2(3) . .
C18 C16 C8 113.5(2) . .
C17 C16 C8 113.2(3) . .
C18 C16 H16 106.8 . .
C17 C16 H16 106.8 . .
C8 C16 H16 106.8 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C20 C19 H19A 109.5 . .
C20 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C20 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O2 C20 C21 124.6(2) . .
O2 C20 C19 112.4(2) . .
C21 C20 C19 123.0(2) . .
C20 C21 C23 124.2(2) . .
C20 C21 C22 120.0(2) . .
C23 C21 C22 115.7(2) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N2 C23 C21 123.0(2) . .
N2 C23 C24 120.7(2) . .
C21 C23 C24 116.3(2) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C30 120.7(2) . .
C26 C25 N2 120.8(2) . .
C30 C25 N2 118.2(2) . .
C27 C26 C25 118.4(2) . .
C27 C26 C34 118.5(2) . .
C25 C26 C34 123.2(2) . .
C28 C27 C26 122.0(3) . .
C28 C27 H27 119.0 . .
C26 C27 H27 119.0 . .
C29 C28 C27 119.3(3) . .
C29 C28 H28 120.3 . .
C27 C28 H28 120.3 . .
C28 C29 C30 121.9(3) . .
C28 C29 H29 119.1 . .
C30 C29 H29 119.1 . .
C29 C30 C25 117.7(2) . .
C29 C30 C31 121.5(2) . .
C25 C30 C31 120.8(2) . .
C30 C31 C32 111.6(2) . .
C30 C31 C33 113.4(2) . .
C32 C31 C33 108.4(2) . .
C30 C31 H31 107.7 . .
C32 C31 H31 107.7 . .
C33 C31 H31 107.7 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C26 C34 C35 111.3(2) . .
C26 C34 C36 112.2(2) . .
C35 C34 C36 108.9(2) . .
C26 C34 H34 108.1 . .
C35 C34 H34 108.1 . .
C36 C34 H34 108.1 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 H37A 109.5 . .
C38 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C38 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
O3 C38 C39 125.1(2) . .
O3 C38 C37 112.1(2) . .
C39 C38 C37 122.9(2) . .
C38 C39 C41 123.6(2) . .
C38 C39 C40 119.8(2) . .
C41 C39 C40 116.5(2) . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
N3 C41 C39 123.7(2) . .
N3 C41 C42 120.7(2) . .
C39 C41 C42 115.6(2) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C44 C43 C48 120.5(2) . .
C44 C43 N3 120.7(2) . .
C48 C43 N3 118.7(2) . .
C45 C44 C43 118.4(3) . .
C45 C44 C52 118.8(2) . .
C43 C44 C52 122.8(2) . .
C46 C45 C44 121.3(3) . .
C46 C45 H45 119.3 . .
C44 C45 H45 119.3 . .
C47 C46 C45 119.8(3) . .
C47 C46 H46 120.1 . .
C45 C46 H46 120.1 . .
C46 C47 C48 121.4(3) . .
C46 C47 H47 119.3 . .
C48 C47 H47 119.3 . .
C47 C48 C43 118.4(2) . .
C47 C48 C49 120.8(2) . .
C43 C48 C49 120.7(2) . .
C48 C49 C51 112.6(2) . .
C48 C49 C50 113.6(2) . .
C51 C49 C50 109.2(2) . .
C48 C49 H49 107.0 . .
C51 C49 H49 107.0 . .
C50 C49 H49 107.0 . .
C49 C50 H50A 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
C49 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
C49 C51 H51A 109.5 . .
C49 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C49 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C44 C52 C54 111.4(3) . .
C44 C52 C53 111.8(3) . .
C54 C52 C53 110.0(3) . .
C44 C52 H52 107.8 . .
C54 C52 H52 107.8 . .
C53 C52 H52 107.8 . .
C52 C53 H53A 109.5 . .
C52 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C52 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C52 C54 H54A 109.5 . .
C52 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C52 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C56 C55 H55A 109.5 . .
C56 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C56 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
O4 C56 C57 125.3(2) . .
O4 C56 C55 112.2(2) . .
C57 C56 C55 122.6(2) . .
C56 C57 C59 124.0(2) . .
C56 C57 C58 119.8(2) . .
C59 C57 C58 116.1(2) . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
N4 C59 C57 123.4(2) . .
N4 C59 C60 121.1(2) . .
C57 C59 C60 115.5(2) . .
C59 C60 H60A 109.5 . .
C59 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C59 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C66 C61 C62 120.8(3) . .
C66 C61 N4 120.6(3) . .
C62 C61 N4 118.5(2) . .
C63 C62 C61 118.2(3) . .
C63 C62 C70 121.1(3) . .
C61 C62 C70 120.6(2) . .
C64 C63 C62 121.6(3) . .
C64 C63 H63 119.2 . .
C62 C63 H63 119.2 . .
C63 C64 C65 120.4(3) . .
C63 C64 H64 119.8 . .
C65 C64 H64 119.8 . .
C64 C65 C66 121.3(3) . .
C64 C65 H65 119.3 . .
C66 C65 H65 119.3 . .
C65 C66 C61 117.7(3) . .
C65 C66 C67 119.3(3) . .
C61 C66 C67 123.0(3) . .
C66 C67 C69 111.5(3) . .
C66 C67 C68 113.2(3) . .
C69 C67 C68 108.0(3) . .
C66 C67 H67 108.0 . .
C69 C67 H67 108.0 . .
C68 C67 H67 108.0 . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C67 C69 H69A 109.5 . .
C67 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
C67 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
C62 C70 C71 111.7(2) . .
C62 C70 C72 113.1(3) . .
C71 C70 C72 109.2(3) . .
C62 C70 H70 107.5 . .
C71 C70 H70 107.5 . .
C72 C70 H70 107.5 . .
C70 C71 H71A 109.5 . .
C70 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C70 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C70 C72 H72A 109.5 . .
C70 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C70 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
O1 Li1 O2 96.81(19) . .
O1 Li1 N1 90.90(18) . .
O2 Li1 N1 130.2(2) . .
O1 Li1 O4 94.38(18) . .
O2 Li1 O4 90.41(18) . .
N1 Li1 O4 138.1(2) . .
O1 Li1 Li2 50.66(14) . .
O2 Li1 Li2 46.15(13) . .
N1 Li1 Li2 121.1(2) . .
O4 Li1 Li2 93.33(18) . .
O1 Li1 Li4 48.85(14) . .
O2 Li1 Li4 95.53(18) . .
N1 Li1 Li4 124.7(2) . .
O4 Li1 Li4 45.53(13) . .
Li2 Li1 Li4 66.11(16) . .
O1 Li1 Li3 89.64(17) . .
O2 Li1 Li3 47.26(13) . .
N1 Li1 Li3 177.4(2) . .
O4 Li1 Li3 44.32(12) . .
Li2 Li1 Li3 57.63(14) . .
Li4 Li1 Li3 57.28(15) . .
O2 Li2 O3 97.35(19) . .
O2 Li2 N2 91.25(18) . .
O3 Li2 N2 131.0(2) . .
O2 Li2 O1 95.41(18) . .
O3 Li2 O1 89.21(17) . .
N2 Li2 O1 137.9(2) . .
O2 Li2 Li1 49.38(13) . .
O3 Li2 Li1 94.53(18) . .
N2 Li2 Li1 125.7(2) . .
O1 Li2 Li1 46.03(12) . .
O2 Li2 Li3 51.89(14) . .
O3 Li2 Li3 45.46(13) . .
N2 Li2 Li3 122.8(2) . .
O1 Li2 Li3 92.83(17) . .
Li1 Li2 Li3 65.74(16) . .
O2 Li2 Li4 90.77(17) . .
O3 Li2 Li4 46.33(13) . .
N2 Li2 Li4 176.9(2) . .
O1 Li2 Li4 44.05(12) . .
Li1 Li2 Li4 57.30(14) . .
Li3 Li2 Li4 57.08(14) . .
O3 Li3 O4 96.84(19) . .
O3 Li3 N3 90.95(18) . .
O4 Li3 N3 129.4(2) . .
O3 Li3 O2 94.39(18) . .
O4 Li3 O2 88.81(17) . .
N3 Li3 O2 140.5(2) . .
O3 Li3 Li4 51.25(14) . .
O4 Li3 Li4 45.60(13) . .
N3 Li3 Li4 120.0(2) . .
O2 Li3 Li4 92.97(17) . .
O3 Li3 Li2 49.11(13) . .
O4 Li3 Li2 93.56(18) . .
N3 Li3 Li2 126.9(2) . .
O2 Li3 Li2 45.29(12) . .
Li4 Li3 Li2 65.64(15) . .
O3 Li3 Li1 89.80(17) . .
O4 Li3 Li1 45.67(12) . .
N3 Li3 Li1 175.1(2) . .
O2 Li3 Li1 44.28(12) . .
Li4 Li3 Li1 57.18(14) . .
Li2 Li3 Li1 56.62(14) . .
O4 Li4 O1 96.18(19) . .
O4 Li4 N4 91.84(18) . .
O1 Li4 N4 130.6(2) . .
O4 Li4 O3 94.27(18) . .
O1 Li4 O3 88.60(17) . .
N4 Li4 O3 139.3(2) . .
O4 Li4 Li1 50.41(14) . .
O1 Li4 Li1 45.77(13) . .
N4 Li4 Li1 121.6(2) . .
O3 Li4 Li1 92.35(17) . .
O4 Li4 Li3 48.90(14) . .
O1 Li4 Li3 94.06(18) . .
N4 Li4 Li3 126.0(2) . .
O3 Li4 Li3 45.38(13) . .
Li1 Li4 Li3 65.53(15) . .
O4 Li4 Li2 89.21(17) . .
O1 Li4 Li2 45.31(12) . .
N4 Li4 Li2 175.9(2) . .
O3 Li4 Li2 44.45(12) . .
Li1 Li4 Li2 56.59(14) . .
Li3 Li4 Li2 57.28(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C2 1.312(3) .
O1 Li1 1.876(4) .
O1 Li4 1.971(4) .
O1 Li2 2.016(4) .
O2 C20 1.312(3) .
O2 Li2 1.875(4) .
O2 Li1 1.974(4) .
O2 Li3 2.076(4) .
O3 C38 1.310(3) .
O3 Li3 1.872(4) .
O3 Li2 1.985(4) .
O3 Li4 2.051(4) .
O4 C56 1.306(3) .
O4 Li4 1.872(4) .
O4 Li3 1.975(4) .
O4 Li1 2.022(4) .
N1 C5 1.307(3) .
N1 C7 1.441(3) .
N1 Li1 2.011(5) .
N2 C23 1.312(3) .
N2 C25 1.438(3) .
N2 Li2 2.011(4) .
N3 C41 1.308(3) .
N3 C43 1.433(3) .
N3 Li3 2.022(4) .
N4 C59 1.309(3) .
N4 C61 1.439(3) .
N4 Li4 2.011(4) .
C1 C2 1.508(3) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.368(3) .
C3 C5 1.453(4) .
C3 C4 1.528(3) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.527(4) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C12 1.392(4) .
C7 C8 1.405(4) .
C8 C9 1.402(4) .
C8 C16 1.518(4) .
C9 C10 1.379(4) .
C9 H9 0.9500 .
C10 C11 1.371(4) .
C10 H10 0.9500 .
C11 C12 1.407(4) .
C11 H11 0.9500 .
C12 C13 1.513(4) .
C13 C15 1.519(5) .
C13 C14 1.521(4) .
C13 H13 1.0000 .
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 C18 1.506(4) .
C16 C17 1.512(4) .
C16 H16 1.0000 .
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 C20 1.515(3) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.369(3) .
C21 C23 1.467(3) .
C21 C22 1.528(3) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.518(3) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.404(3) .
C25 C30 1.418(3) .
C26 C27 1.387(3) .
C26 C34 1.523(4) .
C27 C28 1.376(4) .
C27 H27 0.9500 .
C28 C29 1.373(4) .
C28 H28 0.9500 .
C29 C30 1.401(4) .
C29 H29 0.9500 .
C30 C31 1.512(4) .
C31 C32 1.527(4) .
C31 C33 1.544(4) .
C31 H31 1.0000 .
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 C35 1.525(4) .
C34 C36 1.532(4) .
C34 H34 1.0000 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 C38 1.516(3) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C39 1.372(3) .
C39 C41 1.455(3) .
C39 C40 1.520(3) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 C42 1.515(3) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 C44 1.407(4) .
C43 C48 1.408(3) .
C44 C45 1.395(4) .
C44 C52 1.520(4) .
C45 C46 1.378(4) .
C45 H45 0.9500 .
C46 C47 1.376(4) .
C46 H46 0.9500 .
C47 C48 1.393(3) .
C47 H47 0.9500 .
C48 C49 1.525(4) .
C49 C51 1.527(4) .
C49 C50 1.527(4) .
C49 H49 1.0000 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 C54 1.526(4) .
C52 C53 1.534(4) .
C52 H52 1.0000 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 C56 1.525(4) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 C57 1.364(3) .
C57 C59 1.466(4) .
C57 C58 1.521(4) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 C60 1.512(4) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C66 1.405(4) .
C61 C62 1.416(4) .
C62 C63 1.386(4) .
C62 C70 1.507(4) .
C63 C64 1.360(5) .
C63 H63 0.9500 .
C64 C65 1.373(5) .
C64 H64 0.9500 .
C65 C66 1.402(4) .
C65 H65 0.9500 .
C66 C67 1.525(4) .
C67 C69 1.526(5) .
C67 C68 1.534(5) .
C67 H67 1.0000 .
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 C71 1.516(4) .
C70 C72 1.527(4) .
C70 H70 1.0000 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
Li1 Li2 2.588(6) .
Li1 Li4 2.609(6) .
Li1 Li3 2.826(6) .
Li2 Li3 2.618(6) .
Li2 Li4 2.835(6) .
Li3 Li4 2.612(6) .
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
Li4 O1 C2 C3 -122.1(3) . . . .
Li2 O1 C2 C3 114.1(3) . . . .
Li1 O1 C2 C1 172.9(2) . . . .
Li4 O1 C2 C1 57.0(3) . . . .
Li2 O1 C2 C1 -66.9(3) . . . .
Li1 N1 C5 C6 -172.0(2) . . . .
C2 C3 C5 N1 -2.3(4) . . . .
C4 C3 C5 N1 178.2(3) . . . .
C2 C3 C5 C6 175.2(3) . . . .
C4 C3 C5 C6 -4.3(4) . . . .
C5 N1 C7 C12 -95.6(3) . . . .
Li1 N1 C7 C12 80.6(3) . . . .
C5 N1 C7 C8 87.0(3) . . . .
Li1 N1 C7 C8 -96.8(3) . . . .
C7 C12 C13 C15 88.6(4) . . . .
C11 C12 C13 C15 -90.5(3) . . . .
C7 C12 C13 C14 -146.0(3) . . . .
C11 C12 C13 C14 34.9(4) . . . .
C9 C8 C16 C18 87.0(3) . . . .
C7 C8 C16 C18 -92.9(3) . . . .
C9 C8 C16 C17 -38.2(4) . . . .
C7 C8 C16 C17 141.9(3) . . . .
Li2 O2 C20 C21 8.0(4) . . . .
Li1 O2 C20 C21 123.0(3) . . . .
Li3 O2 C20 C21 -113.6(3) . . . .
Li2 O2 C20 C19 -170.2(2) . . . .
Li1 O2 C20 C19 -55.2(3) . . . .
Li3 O2 C20 C19 68.2(3) . . . .
C23 N2 C25 C26 -77.7(3) . . . .
Li2 N2 C25 C26 99.3(3) . . . .
C23 N2 C25 C30 109.4(3) . . . .
Li2 N2 C25 C30 -73.7(3) . . . .
C30 C25 C26 C27 0.0(4) . . . .
N2 C25 C26 C27 -172.8(2) . . . .
N2 C25 C26 C34 7.2(4) . . . .
N2 C25 C30 C29 172.3(2) . . . .
C29 C30 C31 C32 103.3(3) . . . .
C25 C30 C31 C32 -75.6(3) . . . .
C29 C30 C31 C33 -19.5(4) . . . .
C25 C30 C31 C33 161.6(2) . . . .
C27 C26 C34 C35 58.1(3) . . . .
C25 C26 C34 C35 -121.9(3) . . . .
C27 C26 C34 C36 -64.3(3) . . . .
C25 C26 C34 C36 115.8(3) . . . .
Li3 O3 C38 C39 -7.2(4) . . . .
Li2 O3 C38 C39 -125.4(3) . . . .
Li4 O3 C38 C39 111.7(3) . . . .
Li3 O3 C38 C37 171.2(2) . . . .
Li2 O3 C38 C37 53.0(3) . . . .
Li4 O3 C38 C37 -69.9(3) . . . .
C41 N3 C43 C44 78.2(3) . . . .
Li3 N3 C43 C44 -106.6(3) . . . .
C41 N3 C43 C48 -105.4(3) . . . .
Li3 N3 C43 C48 69.8(3) . . . .
C47 C48 C49 C51 -103.2(3) . . . .
C43 C48 C49 C51 76.1(3) . . . .
C47 C48 C49 C50 21.5(3) . . . .
C43 C48 C49 C50 -159.2(2) . . . .
C45 C44 C52 C54 -64.8(3) . . . .
C43 C44 C52 C54 115.1(3) . . . .
C45 C44 C52 C53 58.8(4) . . . .
C43 C44 C52 C53 -121.4(3) . . . .
Li3 O4 C56 C57 123.8(3) . . . .
Li1 O4 C56 C57 -112.5(3) . . . .
Li3 O4 C56 C55 -54.9(3) . . . .
Li1 O4 C56 C55 68.8(3) . . . .
C59 N4 C61 C66 -81.5(3) . . . .
Li4 N4 C61 C66 101.5(3) . . . .
C59 N4 C61 C62 102.8(3) . . . .
Li4 N4 C61 C62 -74.2(3) . . . .
C65 C66 C67 C69 55.8(4) . . . .
C61 C66 C67 C69 -123.7(3) . . . .
C65 C66 C67 C68 -66.2(4) . . . .
C61 C66 C67 C68 114.3(4) . . . .
C63 C62 C70 C71 98.0(3) . . . .
C61 C62 C70 C71 -81.9(3) . . . .
C63 C62 C70 C72 -25.8(4) . . . .
C61 C62 C70 C72 154.4(3) . . . .
C2 O1 Li1 O2 137.5(2) . . . .
Li4 O1 Li1 O2 -91.40(19) . . . .
C2 O1 Li1 N1 6.8(3) . . . .
Li4 O1 Li1 N1 137.93(19) . . . .
Li2 O1 Li1 N1 -130.88(19) . . . .
C2 O1 Li1 O4 -131.6(2) . . . .
Li2 O1 Li1 O4 90.72(18) . . . .
C2 O1 Li1 Li2 137.7(3) . . . .
Li4 O1 Li1 Li2 -91.19(18) . . . .
C2 O1 Li1 Li4 -131.1(3) . . . .
Li2 O1 Li1 Li4 91.19(18) . . . .
C2 O1 Li1 Li3 -175.7(2) . . . .
Li4 O1 Li1 Li3 -44.58(17) . . . .
Li2 O1 Li1 Li3 46.61(16) . . . .
C20 O2 Li1 O1 -135.8(2) . . . .
Li3 O2 Li1 O1 83.17(19) . . . .
C20 O2 Li1 N1 -38.8(4) . . . .
Li2 O2 Li1 N1 97.2(3) . . . .
Li3 O2 Li1 N1 -179.9(3) . . . .
C20 O2 Li1 O4 129.7(2) . . . .
Li2 O2 Li1 O4 -94.23(17) . . . .
Li3 O2 Li1 O4 -11.29(16) . . . .
C20 O2 Li1 Li2 -136.0(2) . . . .
Li3 O2 Li1 Li2 82.93(17) . . . .
C20 O2 Li1 Li4 175.07(19) . . . .
Li2 O2 Li1 Li4 -48.91(18) . . . .
Li3 O2 Li1 Li4 34.03(17) . . . .
C20 O2 Li1 Li3 141.0(2) . . . .
Li2 O2 Li1 Li3 -82.93(17) . . . .
C5 N1 Li1 O2 -106.0(3) . . . .
C7 N1 Li1 O2 78.1(3) . . . .
C5 N1 Li1 O4 91.2(4) . . . .
C7 N1 Li1 O4 -84.6(4) . . . .
C5 N1 Li1 Li2 -49.4(3) . . . .
C7 N1 Li1 Li2 134.8(2) . . . .
C5 N1 Li1 Li4 31.5(4) . . . .
C7 N1 Li1 Li4 -144.3(2) . . . .
C56 O4 Li1 O1 138.3(2) . . . .
Li3 O4 Li1 O1 -84.98(18) . . . .
C56 O4 Li1 O2 -124.9(2) . . . .
Li4 O4 Li1 O2 97.35(18) . . . .
Li3 O4 Li1 O2 11.88(17) . . . .
C56 O4 Li1 N1 42.0(4) . . . .
Li4 O4 Li1 N1 -95.8(3) . . . .
C56 O4 Li1 Li2 -170.9(2) . . . .
Li4 O4 Li1 Li2 51.27(18) . . . .
Li3 O4 Li1 Li2 -34.21(18) . . . .
C56 O4 Li1 Li4 137.8(3) . . . .
Li3 O4 Li1 Li4 -85.48(18) . . . .
C56 O4 Li1 Li3 -136.7(3) . . . .
Li4 O4 Li1 Li3 85.48(18) . . . .
C20 O2 Li2 O3 -139.2(2) . . . .
Li1 O2 Li2 O3 89.68(19) . . . .
Li3 O2 Li2 O3 0.55(17) . . . .
C20 O2 Li2 N2 -7.5(3) . . . .
Li1 O2 Li2 N2 -138.64(19) . . . .
Li3 O2 Li2 N2 132.23(18) . . . .
C20 O2 Li2 O1 130.9(2) . . . .
Li3 O2 Li2 O1 -89.35(18) . . . .
C20 O2 Li2 Li1 131.1(3) . . . .
Li3 O2 Li2 Li1 -89.13(17) . . . .
C20 O2 Li2 Li3 -139.7(3) . . . .
Li1 O2 Li2 Li3 89.13(17) . . . .
Li1 O2 Li2 Li4 43.67(17) . . . .
Li3 O2 Li2 Li4 -45.46(16) . . . .
C38 O3 Li2 O2 137.1(2) . . . .
Li4 O3 Li2 O2 -84.01(19) . . . .
C38 O3 Li2 N2 38.9(4) . . . .
Li3 O3 Li2 N2 -98.7(3) . . . .
C38 O3 Li2 O1 -127.6(2) . . . .
Li3 O3 Li2 O1 94.75(18) . . . .
Li4 O3 Li2 O1 11.34(17) . . . .
C38 O3 Li2 Li1 -173.34(19) . . . .
Li3 O3 Li2 Li1 48.99(18) . . . .
Li4 O3 Li2 Li1 -34.43(17) . . . .
C38 O3 Li2 Li3 137.7(2) . . . .
Li4 O3 Li2 Li3 -83.41(18) . . . .
C38 O3 Li2 Li4 -138.9(2) . . . .
Li3 O3 Li2 Li4 83.41(18) . . . .
C23 N2 Li2 O3 104.7(3) . . . .
C25 N2 Li2 O3 -72.0(3) . . . .
C23 N2 Li2 O1 -95.6(4) . . . .
C25 N2 Li2 O1 87.6(3) . . . .
C23 N2 Li2 Li1 -34.3(4) . . . .
C25 N2 Li2 Li1 149.0(2) . . . .
C23 N2 Li2 Li3 47.8(3) . . . .
C25 N2 Li2 Li3 -129.0(2) . . . .
C2 O1 Li2 O2 -138.4(2) . . . .
Li4 O1 Li2 O2 85.50(19) . . . .
C2 O1 Li2 O3 124.3(2) . . . .
Li1 O1 Li2 O3 -97.08(18) . . . .
Li4 O1 Li2 O3 -11.80(17) . . . .
C2 O1 Li2 N2 -40.5(4) . . . .
Li1 O1 Li2 N2 98.1(3) . . . .
C2 O1 Li2 Li1 -138.6(3) . . . .
Li4 O1 Li2 Li1 85.27(18) . . . .
C2 O1 Li2 Li3 169.6(2) . . . .
Li1 O1 Li2 Li3 -51.75(18) . . . .
Li4 O1 Li2 Li3 33.52(18) . . . .
C2 O1 Li2 Li4 136.1(3) . . . .
Li1 O1 Li2 Li4 -85.27(18) . . . .
N1 Li1 Li2 O2 -117.7(3) . . . .
O4 Li1 Li2 O2 87.36(18) . . . .
Li4 Li1 Li2 O2 124.9(2) . . . .
Li3 Li1 Li2 O2 59.65(15) . . . .
O1 Li1 Li2 O3 84.50(18) . . . .
O2 Li1 Li2 O3 -95.80(19) . . . .
N1 Li1 Li2 O3 146.5(2) . . . .
O4 Li1 Li2 O3 -8.43(18) . . . .
Li4 Li1 Li2 O3 29.07(15) . . . .
Li3 Li1 Li2 O3 -36.15(14) . . . .
O1 Li1 Li2 N2 -125.2(3) . . . .
O2 Li1 Li2 N2 54.5(2) . . . .
N1 Li1 Li2 N2 -63.3(3) . . . .
O4 Li1 Li2 N2 141.8(2) . . . .
Li3 Li1 Li2 N2 114.1(3) . . . .
N1 Li1 Li2 O1 62.0(2) . . . .
O4 Li1 Li2 O1 -92.94(18) . . . .
Li4 Li1 Li2 O1 -55.43(15) . . . .
Li3 Li1 Li2 O1 -120.65(19) . . . .
O1 Li1 Li2 Li3 120.65(19) . . . .
O2 Li1 Li2 Li3 -59.65(15) . . . .
O4 Li1 Li2 Li3 27.71(15) . . . .
Li4 Li1 Li2 Li3 65.22(16) . . . .
O1 Li1 Li2 Li4 55.43(15) . . . .
O2 Li1 Li2 Li4 -124.9(2) . . . .
N1 Li1 Li2 Li4 117.4(2) . . . .
O4 Li1 Li2 Li4 -37.51(14) . . . .
Li3 Li1 Li2 Li4 -65.22(16) . . . .
C38 O3 Li3 O4 137.4(2) . . . .
Li2 O3 Li3 O4 -88.79(18) . . . .
C38 O3 Li3 N3 7.5(3) . . . .
Li2 O3 Li3 N3 141.34(18) . . . .
Li4 O3 Li3 N3 -128.92(18) . . . .
C38 O3 Li3 O2 -133.3(2) . . . .
Li2 O3 Li3 O2 0.54(17) . . . .
Li4 O3 Li3 O2 90.29(18) . . . .
C38 O3 Li3 Li4 136.4(3) . . . .
Li2 O3 Li3 Li4 -89.74(17) . . . .
C38 O3 Li3 Li2 -133.9(3) . . . .
Li4 O3 Li3 Li2 89.74(17) . . . .
Li2 O3 Li3 Li1 -43.55(16) . . . .
Li4 O3 Li3 Li1 46.20(16) . . . .
C56 O4 Li3 O3 -137.3(2) . . . .
Li1 O4 Li3 O3 83.00(19) . . . .
C56 O4 Li3 N3 -40.4(4) . . . .
Li4 O4 Li3 N3 95.9(3) . . . .
C56 O4 Li3 O2 128.4(2) . . . .
Li4 O4 Li3 O2 -95.33(17) . . . .
Li1 O4 Li3 O2 -11.29(16) . . . .
C56 O4 Li3 Li4 -136.3(2) . . . .
Li1 O4 Li3 Li4 84.04(17) . . . .
C56 O4 Li3 Li2 173.46(19) . . . .
Li4 O4 Li3 Li2 -50.27(18) . . . .
Li1 O4 Li3 Li2 33.78(17) . . . .
C56 O4 Li3 Li1 139.7(2) . . . .
Li4 O4 Li3 Li1 -84.04(17) . . . .
C41 N3 Li3 O3 -7.5(3) . . . .
C41 N3 Li3 O4 -107.1(3) . . . .
C43 N3 Li3 O4 78.0(3) . . . .
C41 N3 Li3 O2 90.6(4) . . . .
C43 N3 Li3 O2 -84.3(4) . . . .
C41 N3 Li3 Li4 -52.0(3) . . . .
C43 N3 Li3 Li4 133.2(2) . . . .
C41 N3 Li3 Li2 28.7(4) . . . .
C43 N3 Li3 Li2 -146.1(2) . . . .
C20 O2 Li3 O3 138.5(2) . . . .
Li1 O2 Li3 O3 -85.20(18) . . . .
C20 O2 Li3 O4 -124.7(2) . . . .
Li2 O2 Li3 O4 96.19(18) . . . .
Li1 O2 Li3 O4 11.57(17) . . . .
C20 O2 Li3 N3 41.7(4) . . . .
Li2 O2 Li3 N3 -97.4(3) . . . .
C20 O2 Li3 Li4 -170.1(2) . . . .
Li2 O2 Li3 Li4 50.77(18) . . . .
Li1 O2 Li3 Li4 -33.86(17) . . . .
C20 O2 Li3 Li2 139.1(3) . . . .
Li1 O2 Li3 Li2 -84.62(17) . . . .
C20 O2 Li3 Li1 -136.3(3) . . . .
Li2 O2 Li3 Li1 84.62(17) . . . .
N2 Li2 Li3 O3 117.5(3) . . . .
O1 Li2 Li3 O3 -86.10(17) . . . .
Li1 Li2 Li3 O3 -124.4(2) . . . .
Li4 Li2 Li3 O3 -58.87(15) . . . .
O2 Li2 Li3 O4 -84.79(17) . . . .
O3 Li2 Li3 O4 95.97(19) . . . .
N2 Li2 Li3 O4 -146.6(2) . . . .
O1 Li2 Li3 O4 9.87(18) . . . .
Li1 Li2 Li3 O4 -28.44(15) . . . .
Li4 Li2 Li3 O4 37.09(14) . . . .
O2 Li2 Li3 N3 127.8(3) . . . .
O3 Li2 Li3 N3 -51.4(2) . . . .
N2 Li2 Li3 N3 66.1(3) . . . .
O1 Li2 Li3 N3 -137.5(2) . . . .
Li4 Li2 Li3 N3 -110.3(3) . . . .
N2 Li2 Li3 O2 -61.8(2) . . . .
O1 Li2 Li3 O2 94.66(18) . . . .
Li1 Li2 Li3 O2 56.35(15) . . . .
Li4 Li2 Li3 O2 121.89(19) . . . .
O2 Li2 Li3 Li4 -121.89(19) . . . .
O3 Li2 Li3 Li4 58.87(15) . . . .
O1 Li2 Li3 Li4 -27.22(15) . . . .
Li1 Li2 Li3 Li4 -65.54(16) . . . .
O2 Li2 Li3 Li1 -56.35(15) . . . .
O3 Li2 Li3 Li1 124.4(2) . . . .
N2 Li2 Li3 Li1 -118.1(3) . . . .
O1 Li2 Li3 Li1 38.31(14) . . . .
Li4 Li2 Li3 Li1 65.54(16) . . . .
O2 Li1 Li3 O3 96.50(19) . . . .
O4 Li1 Li3 O3 -99.77(19) . . . .
Li2 Li1 Li3 O3 38.58(15) . . . .
Li4 Li1 Li3 O3 -42.04(16) . . . .
O1 Li1 Li3 O4 96.65(19) . . . .
O2 Li1 Li3 O4 -163.7(2) . . . .
Li2 Li1 Li3 O4 138.4(2) . . . .
Li4 Li1 Li3 O4 57.73(15) . . . .
O1 Li1 Li3 O2 -99.63(19) . . . .
O4 Li1 Li3 O2 163.7(2) . . . .
Li2 Li1 Li3 O2 -57.92(15) . . . .
Li4 Li1 Li3 O2 -138.5(2) . . . .
O1 Li1 Li3 Li4 38.92(15) . . . .
O2 Li1 Li3 Li4 138.5(2) . . . .
O4 Li1 Li3 Li4 -57.73(15) . . . .
Li2 Li1 Li3 Li4 80.63(17) . . . .
O1 Li1 Li3 Li2 -41.71(15) . . . .
O2 Li1 Li3 Li2 57.92(15) . . . .
O4 Li1 Li3 Li2 -138.4(2) . . . .
Li4 Li1 Li3 Li2 -80.63(17) . . . .
C56 O4 Li4 O1 -137.7(2) . . . .
Li3 O4 Li4 O1 90.00(19) . . . .
Li3 O4 Li4 N4 -138.78(19) . . . .
Li1 O4 Li4 N4 130.75(19) . . . .
C56 O4 Li4 O3 133.2(2) . . . .
Li3 O4 Li4 O3 0.95(17) . . . .
Li1 O4 Li4 O3 -89.52(18) . . . .
C56 O4 Li4 Li1 -137.2(3) . . . .
Li3 O4 Li4 Li1 90.47(17) . . . .
C56 O4 Li4 Li3 132.3(3) . . . .
Li1 O4 Li4 Li3 -90.47(17) . . . .
Li3 O4 Li4 Li2 45.15(17) . . . .
Li1 O4 Li4 Li2 -45.33(16) . . . .
C2 O1 Li4 O4 137.3(2) . . . .
Li1 O1 Li4 O4 0.51(19) . . . .
Li2 O1 Li4 O4 -82.72(19) . . . .
C2 O1 Li4 N4 39.5(4) . . . .
Li1 O1 Li4 N4 -97.3(3) . . . .
C2 O1 Li4 O3 -128.6(2) . . . .
Li1 O1 Li4 O3 94.66(17) . . . .
Li2 O1 Li4 O3 11.43(17) . . . .
C2 O1 Li4 Li1 136.7(2) . . . .
Li2 O1 Li4 Li1 -83.23(17) . . . .
C2 O1 Li4 Li3 -173.68(19) . . . .
Li1 O1 Li4 Li3 49.57(18) . . . .
Li2 O1 Li4 Li3 -33.66(18) . . . .
C2 O1 Li4 Li2 -140.0(2) . . . .
Li1 O1 Li4 Li2 83.23(17) . . . .
C59 N4 Li4 O1 104.8(3) . . . .
C61 N4 Li4 O1 -78.4(3) . . . .
C59 N4 Li4 O3 -93.7(4) . . . .
C61 N4 Li4 O3 83.1(4) . . . .
C59 N4 Li4 Li1 48.3(3) . . . .
C61 N4 Li4 Li1 -134.9(2) . . . .
C59 N4 Li4 Li3 -32.8(4) . . . .
C61 N4 Li4 Li3 144.0(2) . . . .
C38 O3 Li4 O4 -138.8(2) . . . .
Li3 O3 Li4 O4 -1.01(18) . . . .
Li2 O3 Li4 O4 84.49(18) . . . .
C38 O3 Li4 O1 125.1(2) . . . .
Li3 O3 Li4 O1 -97.10(18) . . . .
Li2 O3 Li4 O1 -11.60(17) . . . .
C38 O3 Li4 N4 -41.0(4) . . . .
Li3 O3 Li4 N4 96.8(3) . . . .
Li2 O3 Li4 N4 -177.7(3) . . . .
C38 O3 Li4 Li1 170.7(2) . . . .
Li3 O3 Li4 Li1 -51.47(18) . . . .
Li2 O3 Li4 Li1 34.02(17) . . . .
C38 O3 Li4 Li3 -137.8(2) . . . .
Li2 O3 Li4 Li3 85.50(18) . . . .
C38 O3 Li4 Li2 136.7(2) . . . .
Li3 O3 Li4 Li2 -85.50(18) . . . .
O1 Li1 Li4 O4 -179.3(2) . . . .
O2 Li1 Li4 O4 -85.12(18) . . . .
N1 Li1 Li4 O4 126.1(3) . . . .
Li2 Li1 Li4 O4 -121.6(2) . . . .
Li3 Li1 Li4 O4 -55.88(15) . . . .
O2 Li1 Li4 O1 94.22(19) . . . .
N1 Li1 Li4 O1 -54.6(2) . . . .
Li2 Li1 Li4 O1 57.75(15) . . . .
Li3 Li1 Li4 O1 123.5(2) . . . .
O1 Li1 Li4 N4 118.0(3) . . . .
O2 Li1 Li4 N4 -147.8(2) . . . .
N1 Li1 Li4 N4 63.4(3) . . . .
O4 Li1 Li4 N4 -62.7(2) . . . .
Li2 Li1 Li4 N4 175.7(3) . . . .
Li3 Li1 Li4 N4 -118.6(3) . . . .
O1 Li1 Li4 O3 -85.74(18) . . . .
O2 Li1 Li4 O3 8.48(19) . . . .
N1 Li1 Li4 O3 -140.3(2) . . . .
O4 Li1 Li4 O3 93.60(18) . . . .
Li2 Li1 Li4 O3 -27.99(15) . . . .
Li3 Li1 Li4 O3 37.72(14) . . . .
O1 Li1 Li4 Li3 -123.5(2) . . . .
O2 Li1 Li4 Li3 -29.24(15) . . . .
O4 Li1 Li4 Li3 55.88(15) . . . .
Li2 Li1 Li4 Li3 -65.71(16) . . . .
O1 Li1 Li4 Li2 -57.75(15) . . . .
O2 Li1 Li4 Li2 36.47(14) . . . .
N1 Li1 Li4 Li2 -112.3(3) . . . .
O4 Li1 Li4 Li2 121.6(2) . . . .
Li3 Li1 Li4 Li2 65.71(16) . . . .
N3 Li3 Li4 O4 -117.4(3) . . . .
O2 Li3 Li4 O4 85.42(18) . . . .
Li2 Li3 Li4 O4 122.6(2) . . . .
Li1 Li3 Li4 O4 57.85(15) . . . .
O3 Li3 Li4 O1 84.00(18) . . . .
O4 Li3 Li4 O1 -94.66(19) . . . .
N3 Li3 Li4 O1 148.0(2) . . . .
O2 Li3 Li4 O1 -9.24(19) . . . .
Li2 Li3 Li4 O1 27.93(15) . . . .
Li1 Li3 Li4 O1 -36.82(14) . . . .
O3 Li3 Li4 N4 -126.8(3) . . . .
O4 Li3 Li4 N4 54.5(2) . . . .
N3 Li3 Li4 N4 -62.9(3) . . . .
O2 Li3 Li4 N4 139.9(2) . . . .
Li2 Li3 Li4 N4 177.1(3) . . . .
Li1 Li3 Li4 N4 112.3(3) . . . .
O4 Li3 Li4 O3 -178.7(2) . . . .
N3 Li3 Li4 O3 64.0(2) . . . .
O2 Li3 Li4 O3 -93.25(18) . . . .
Li2 Li3 Li4 O3 -56.08(15) . . . .
Li1 Li3 Li4 O3 -120.82(19) . . . .
O3 Li3 Li4 Li1 120.82(19) . . . .
O4 Li3 Li4 Li1 -57.85(15) . . . .
N3 Li3 Li4 Li1 -175.2(2) . . . .
O2 Li3 Li4 Li1 27.57(15) . . . .
Li2 Li3 Li4 Li1 64.74(16) . . . .
O3 Li3 Li4 Li2 56.08(15) . . . .
O4 Li3 Li4 Li2 -122.6(2) . . . .
N3 Li3 Li4 Li2 120.0(2) . . . .
O2 Li3 Li4 Li2 -37.17(14) . . . .
Li1 Li3 Li4 Li2 -64.74(16) . . . .
O3 Li2 Li4 O4 -96.93(19) . . . .
O1 Li2 Li4 O4 99.5(2) . . . .
Li1 Li2 Li4 O4 41.03(16) . . . .
Li3 Li2 Li4 O4 -39.42(15) . . . .
O2 Li2 Li4 O1 -96.99(19) . . . .
O3 Li2 Li4 O1 163.6(2) . . . .
Li1 Li2 Li4 O1 -58.47(16) . . . .
Li3 Li2 Li4 O1 -138.9(2) . . . .
O2 Li2 Li4 O3 99.44(19) . . . .
O1 Li2 Li4 O3 -163.6(2) . . . .
Li1 Li2 Li4 O3 138.0(2) . . . .
Li3 Li2 Li4 O3 57.51(15) . . . .
O2 Li2 Li4 Li1 -38.52(15) . . . .
O3 Li2 Li4 Li1 -138.0(2) . . . .
O1 Li2 Li4 Li1 58.47(16) . . . .
Li3 Li2 Li4 Li1 -80.45(17) . . . .
O2 Li2 Li4 Li3 41.93(16) . . . .
O3 Li2 Li4 Li3 -57.51(15) . . . .
O1 Li2 Li4 Li3 138.9(2) . . . .
Li1 Li2 Li4 Li3 80.45(17) . . . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168305825
