#------------------------------------------------------------------------------
#$Date: 2019-11-17 06:29:55 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228424 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/12/7121294.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_7121294
loop_
_publ_author_name
'Shuku, Yoshiaki'
'Mizuno, Asato'
'Ushiroguchi, Ryo'
'Hyun, Chang Seok'
'Ryu, Young Jun'
'An, Byeong-Kwan'
'Kwon, Ji Eon'
'Park, Soo Young'
'Tsuchiizu, Masahisa'
'Awaga, Kunio'
_publ_section_title
;
 An exotic band structure of a supramolecular honeycomb lattice formed by
 a pancake π-π interaction between triradical trianions of triptycene
 tribenzoquinone.
;
_journal_issue                   31
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3815
_journal_page_last               3818
_journal_paper_doi               10.1039/c8cc00753e
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C22 H17 Li3 N O9'
_chemical_formula_sum            'C22 H17 Li3 N O9'
_chemical_formula_weight         460.20
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2018-01-13 deposited with the CCDC.
2018-02-12 downloaded from the CCDC.
;
_cell_angle_alpha                116.488(6)
_cell_angle_beta                 92.9867(14)
_cell_angle_gamma                110.107(5)
_cell_formula_units_Z            2
_cell_length_a                   9.739(5)
_cell_length_b                   10.881(6)
_cell_length_c                   11.611(6)
_cell_measurement_reflns_used    2665
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.41
_cell_volume                     1002.8(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2.5'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2016/4 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8081
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.449
_diffrn_reflns_theta_min         3.411
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.116
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             474.00
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     341
_refine_ls_number_reflns         4390
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0826
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0434P)²+1.1477P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1113
_refine_ls_wR_factor_ref         0.1300
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3032
_reflns_number_total             4390
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c8cc00753e2.cif
_cod_data_source_block           Li3TT
_cod_depositor_comments
'Adding full bibliography for 7121292--7121294.cif.'
_cod_original_cell_volume        1002.8(8)
_cod_database_code               7121294
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
O1 O 0.71640(17) 0.37769(18) 0.58380(15) 0.0131(3) Uani 1 1 d . .
O2 O 0.37304(18) 0.70158(18) 0.72006(16) 0.0149(4) Uani 1 1 d . .
O3 O 0.58093(18) 0.22151(18) 0.83603(15) 0.0139(3) Uani 1 1 d . .
O4 O 0.17006(18) 0.46528(19) 0.95980(16) 0.0153(4) Uani 1 1 d . .
O5 O 0.26570(17) -0.07429(17) 0.39399(15) 0.0122(3) Uani 1 1 d . .
O6 O -0.05621(17) 0.27209(17) 0.52969(15) 0.0118(3) Uani 1 1 d . .
O7 O 1.0723(2) 0.6281(2) 0.66695(19) 0.0203(4) Uani 1 1 d . .
O8 O 0.9193(2) 0.4266(2) 0.82046(17) 0.0160(4) Uani 1 1 d . .
O9 O 0.6087(2) 0.0759(2) 0.32923(19) 0.0237(4) Uani 1 1 d . .
N1 N 0.8335(3) 0.1556(3) 0.9158(2) 0.0312(6) Uani 1 1 d . .
C1 C 0.4843(2) 0.3922(2) 0.6308(2) 0.0100(4) Uani 1 1 d . .
C2 C 0.6319(2) 0.4497(3) 0.6081(2) 0.0109(4) Uani 1 1 d . .
C3 C 0.6826(3) 0.5985(3) 0.6242(2) 0.0128(5) Uani 1 1 d . .
H3 H 0.778809 0.641785 0.610537 0.015 Uiso 1 1 calc R U
C4 C 0.5961(2) 0.6795(3) 0.6586(2) 0.0119(4) Uani 1 1 d . .
H4 H 0.634257 0.777121 0.667504 0.014 Uiso 1 1 calc R U
C5 C 0.4491(3) 0.6221(3) 0.6818(2) 0.0121(5) Uani 1 1 d . .
C6 C 0.4003(2) 0.4742(3) 0.6681(2) 0.0109(4) Uani 1 1 d . .
C7 C 0.3962(2) 0.2897(2) 0.7696(2) 0.0108(4) Uani 1 1 d . .
C8 C 0.4830(2) 0.2762(2) 0.8646(2) 0.0110(4) Uani 1 1 d . .
C9 C 0.4479(3) 0.3249(3) 0.9930(2) 0.0134(5) Uani 1 1 d . .
H9 H 0.498584 0.314839 1.058274 0.016 Uiso 1 1 calc R U
C10 C 0.3439(3) 0.3849(3) 1.0228(2) 0.0122(5) Uani 1 1 d . .
H10 H 0.320960 0.410897 1.106891 0.015 Uiso 1 1 calc R U
C11 C 0.2679(2) 0.4102(3) 0.9316(2) 0.0119(4) Uani 1 1 d . .
C12 C 0.3050(2) 0.3633(2) 0.8039(2) 0.0101(4) Uani 1 1 d . .
C13 C 0.2547(2) 0.1612(3) 0.5380(2) 0.0100(4) Uani 1 1 d . .
C14 C 0.1933(2) 0.0105(3) 0.4255(2) 0.0108(4) Uani 1 1 d . .
C15 C 0.0455(2) -0.0393(3) 0.3474(2) 0.0116(4) Uani 1 1 d . .
H15 H 0.002773 -0.135585 0.269742 0.014 Uiso 1 1 calc R U
C16 C -0.0355(2) 0.0469(3) 0.3809(2) 0.0114(4) Uani 1 1 d . .
H16 H -0.131586 0.009805 0.325067 0.014 Uiso 1 1 calc R U
C17 C 0.0211(2) 0.1920(3) 0.4981(2) 0.0108(4) Uani 1 1 d . .
C18 C 0.1719(2) 0.2448(2) 0.5733(2) 0.0099(4) Uani 1 1 d . .
C19 C 0.4142(2) 0.2419(2) 0.6280(2) 0.0100(4) Uani 1 1 d . .
H19 H 0.475593 0.181136 0.600690 0.012 Uiso 1 1 calc R U
C20 C 0.2545(2) 0.3975(2) 0.6989(2) 0.0109(4) Uani 1 1 d . .
H20 H 0.193230 0.458365 0.726739 0.013 Uiso 1 1 calc R U
C21 C 0.8272(7) 0.0375(5) 1.0680(4) 0.0854(18) Uani 1 1 d . .
H21A H 0.816112 -0.066522 1.014684 0.102 Uiso 1 1 calc R U
H21B H 0.742206 0.038531 1.109410 0.102 Uiso 1 1 calc R U
H21C H 0.921714 0.096036 1.137107 0.102 Uiso 1 1 calc R U
C22 C 0.8298(4) 0.1043(4) 0.9823(3) 0.0404(8) Uani 1 1 d . .
LI1 Li 0.9279(5) 0.4531(5) 0.6637(4) 0.0195(9) Uani 1 1 d . .
LI2 Li 0.7661(5) 0.2278(5) 0.7930(4) 0.0200(9) Uani 1 1 d . .
LI3 Li 0.7197(5) 0.1794(5) 0.5056(4) 0.0183(9) Uani 1 1 d . .
H1 H 1.176(5) 0.650(5) 0.686(4) 0.075(14) Uiso 1 1 d . .
H2 H 1.059(4) 0.651(4) 0.605(4) 0.056(12) Uiso 1 1 d . .
H5 H 0.882(4) 0.480(4) 0.893(4) 0.042(9) Uiso 1 1 d . .
H6 H 1.005(4) 0.442(4) 0.858(3) 0.039(10) Uiso 1 1 d . .
H7 H 0.599(4) 0.138(4) 0.305(4) 0.053(11) Uiso 1 1 d . .
H8 H 0.535(5) -0.016(5) 0.278(4) 0.078(15) Uiso 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Li Li -0.0003 0.0001
;
International Tables for Crystallography
(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 128.2(2) . .
C2 O1 LI3 145.1(2) . .
LI1 O1 LI3 85.51(18) . .
C8 O3 LI2 152.4(2) . .
C14 O5 LI2 121.44(19) . 2_656
C14 O5 LI3 120.53(18) . 2_656
LI2 O5 LI3 103.29(19) 2_656 2_656
C17 O6 LI1 146.4(2) . 1_455
C17 O6 LI3 121.74(19) . 1_455
LI1 O6 LI3 83.28(19) 1_455 1_455
LI1 O7 H1 119(3) . .
LI1 O7 H2 122(3) . .
H1 O7 H2 105(3) . .
LI1 O8 LI2 117.0(2) . .
LI1 O8 H5 124(2) . .
LI2 O8 H5 90(2) . .
LI1 O8 H6 111(2) . .
LI2 O8 H6 109(2) . .
H5 O8 H6 103(3) . .
LI3 O9 H7 111(3) . .
LI3 O9 H8 133(3) . .
H7 O9 H8 110(4) . .
C22 N1 LI2 161.3(3) . .
C6 C1 C2 122.5(2) . .
C6 C1 C19 113.35(19) . .
C2 C1 C19 123.92(19) . .
O1 C2 C3 121.8(2) . .
O1 C2 C1 122.5(2) . .
C3 C2 C1 115.54(19) . .
C4 C3 C2 121.9(2) . .
C4 C3 H3 119.1 . .
C2 C3 H3 119.1 . .
C3 C4 C5 122.5(2) . .
C3 C4 H4 118.8 . .
C5 C4 H4 118.8 . .
O2 C5 C6 122.7(2) . .
O2 C5 C4 121.8(2) . .
C6 C5 C4 115.38(19) . .
C1 C6 C5 122.2(2) . .
C1 C6 C20 113.8(2) . .
C5 C6 C20 123.98(19) . .
C12 C7 C8 122.2(2) . .
C12 C7 C19 113.80(19) . .
C8 C7 C19 123.54(19) . .
O3 C8 C7 122.2(2) . .
O3 C8 C9 122.4(2) . .
C7 C8 C9 115.42(19) . .
C10 C9 C8 121.8(2) . .
C10 C9 H9 119.1 . .
C8 C9 H9 119.1 . .
C9 C10 C11 122.3(2) . .
C9 C10 H10 118.8 . .
C11 C10 H10 118.8 . .
O4 C11 C10 121.9(2) . .
O4 C11 C12 122.3(2) . .
C10 C11 C12 115.7(2) . .
C7 C12 C11 121.8(2) . .
C7 C12 C20 113.42(19) . .
C11 C12 C20 124.70(19) . .
C18 C13 C14 121.4(2) . .
C18 C13 C19 113.8(2) . .
C14 C13 C19 124.78(19) . .
O5 C14 C15 121.3(2) . .
O5 C14 C13 122.9(2) . .
C15 C14 C13 115.79(19) . .
C16 C15 C14 122.4(2) . .
C16 C15 H15 118.8 . .
C14 C15 H15 118.8 . .
C15 C16 C17 121.6(2) . .
C15 C16 H16 119.2 . .
C17 C16 H16 119.2 . .
O6 C17 C16 121.3(2) . .
O6 C17 C18 122.6(2) . .
C16 C17 C18 115.96(19) . .
C13 C18 C17 122.5(2) . .
C13 C18 C20 113.2(2) . .
C17 C18 C20 124.32(19) . .
C1 C19 C7 102.50(17) . .
C1 C19 C13 105.77(17) . .
C7 C19 C13 106.61(17) . .
C1 C19 H19 113.7 . .
C7 C19 H19 113.7 . .
C13 C19 H19 113.7 . .
C18 C20 C12 105.61(18) . .
C18 C20 C6 104.76(17) . .
C12 C20 C6 104.90(18) . .
C18 C20 H20 113.6 . .
C12 C20 H20 113.6 . .
C6 C20 H20 113.6 . .
C22 C21 H21A 109.5 . .
C22 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C22 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N1 C22 C21 179.1(4) . .
O7 LI1 O1 120.3(2) . .
O7 LI1 O6 109.8(2) . 1_655
O1 LI1 O6 92.3(2) . 1_655
O7 LI1 O8 123.3(2) . .
O1 LI1 O8 101.6(2) . .
O6 LI1 O8 104.2(2) 1_655 .
O7 LI1 LI3 143.7(2) . .
O1 LI1 LI3 47.44(14) . .
O6 LI1 LI3 49.20(14) 1_655 .
O8 LI1 LI3 92.59(19) . .
O7 LI1 LI2 155.3(2) . .
O1 LI1 LI2 78.58(16) . .
O6 LI1 LI2 83.20(16) 1_655 .
O8 LI1 LI2 32.05(12) . .
LI3 LI1 LI2 60.56(15) . .
O3 LI2 O5 111.1(2) . 2_656
O3 LI2 O8 117.8(2) . .
O5 LI2 O8 107.0(2) 2_656 .
O3 LI2 N1 98.1(2) . .
O5 LI2 N1 108.3(2) 2_656 .
O8 LI2 N1 114.3(2) . .
O3 LI2 LI3 104.19(19) . .
O5 LI2 LI3 38.45(12) 2_656 .
O8 LI2 LI3 78.25(16) . .
N1 LI2 LI3 145.2(2) . .
O3 LI2 LI1 117.6(2) . .
O5 LI2 LI1 79.34(16) 2_656 .
O8 LI2 LI1 30.95(11) . .
N1 LI2 LI1 138.4(2) . .
LI3 LI2 LI1 47.32(12) . .
O3 LI2 H5 95.7(9) . .
O5 LI2 H5 129.8(9) 2_656 .
O8 LI2 H5 25.3(9) . .
N1 LI2 H5 109.0(9) . .
LI3 LI2 H5 95.2(9) . .
LI1 LI2 H5 50.4(9) . .
O9 LI3 O1 105.8(2) . .
O9 LI3 O5 122.4(2) . 2_656
O1 LI3 O5 124.5(2) . 2_656
O9 LI3 O6 114.2(2) . 1_655
O1 LI3 O6 90.41(18) . 1_655
O5 LI3 O6 93.23(18) 2_656 1_655
O9 LI3 LI1 134.4(2) . .
O1 LI3 LI1 47.05(14) . .
O5 LI3 LI1 101.8(2) 2_656 .
O6 LI3 LI1 47.52(14) 1_655 .
O9 LI3 LI2 151.9(2) . .
O1 LI3 LI2 86.38(17) . .
O5 LI3 LI2 38.26(12) 2_656 .
O6 LI3 LI2 90.48(17) 1_655 .
LI1 LI3 LI2 72.12(16) . .
O9 LI3 H7 20.4(10) . .
O1 LI3 H7 86.3(10) . .
O5 LI3 H7 142.3(10) 2_656 .
O6 LI3 H7 109.2(9) 1_655 .
LI1 LI3 H7 115.7(10) . .
LI2 LI3 H7 159.0(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C2 1.281(3) .
O1 LI1 1.933(5) .
O1 LI3 1.946(5) .
O2 C5 1.275(3) .
O3 C8 1.273(3) .
O3 LI2 1.883(4) .
O4 C11 1.274(3) .
O5 C14 1.287(3) .
O5 LI2 1.985(5) 2_656
O5 LI3 1.993(4) 2_656
O6 C17 1.287(3) .
O6 LI1 1.955(5) 1_455
O6 LI3 2.007(5) 1_455
O7 LI1 1.922(5) .
O7 H1 0.95(5) .
O7 H2 0.88(4) .
O8 LI1 1.967(5) .
O8 LI2 2.030(5) .
O8 H5 0.96(4) .
O8 H6 0.84(4) .
O9 LI3 1.872(5) .
O9 H7 0.87(4) .
O9 H8 0.89(5) .
N1 C22 1.132(4) .
N1 LI2 2.083(5) .
C1 C6 1.359(3) .
C1 C2 1.447(3) .
C1 C19 1.525(3) .
C2 C3 1.439(3) .
C3 C4 1.371(3) .
C3 H3 0.9500 .
C4 C5 1.445(3) .
C4 H4 0.9500 .
C5 C6 1.442(3) .
C6 C20 1.531(3) .
C7 C12 1.353(3) .
C7 C8 1.445(3) .
C7 C19 1.527(3) .
C8 C9 1.446(3) .
C9 C10 1.364(3) .
C9 H9 0.9500 .
C10 C11 1.437(3) .
C10 H10 0.9500 .
C11 C12 1.448(3) .
C12 C20 1.528(3) .
C13 C18 1.361(3) .
C13 C14 1.444(3) .
C13 C19 1.533(3) .
C14 C15 1.442(3) .
C15 C16 1.367(3) .
C15 H15 0.9500 .
C16 C17 1.434(3) .
C16 H16 0.9500 .
C17 C18 1.444(3) .
C18 C20 1.527(3) .
C19 H19 1.0000 .
C20 H20 1.0000 .
C21 C22 1.467(5) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
LI1 O6 1.955(5) 1_655
LI1 LI3 2.633(6) .
LI1 LI2 3.409(6) .
LI2 O5 1.985(5) 2_656
LI2 LI3 3.119(6) .
LI2 H5 2.24(3) .
LI3 O5 1.993(4) 2_656
LI3 O6 2.007(4) 1_655
LI3 H7 2.33(4) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O7 H1 O2 1_655 2.713(3) 0.95(5) 1.77(5) 176(5) no
O7 H2 O6 2_666 2.951(4) 0.88(5) 2.08(6) 172(3) no
O8 H5 O4 2_667 2.628(3) 0.96(4) 1.71(4) 160(5) no
O8 H6 O4 1_655 2.652(3) 0.84(4) 1.82(4) 169(4) no
O9 H7 O2 2_666 2.678(4) 0.87(6) 1.83(5) 166(3) no
O9 H8 O3 2_656 2.747(2) 0.89(4) 1.87(4) 166(5) no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
LI1 O1 C2 C3 43.1(3) . .
LI3 O1 C2 C3 -154.6(3) . .
LI1 O1 C2 C1 -132.3(2) . .
LI3 O1 C2 C1 30.1(4) . .
C6 C1 C2 O1 174.0(2) . .
C19 C1 C2 O1 -0.1(3) . .
C6 C1 C2 C3 -1.6(3) . .
C19 C1 C2 C3 -175.77(19) . .
O1 C2 C3 C4 -175.7(2) . .
C1 C2 C3 C4 -0.1(3) . .
C2 C3 C4 C5 0.4(3) . .
C3 C4 C5 O2 176.5(2) . .
C3 C4 C5 C6 0.9(3) . .
C2 C1 C6 C5 3.0(3) . .
C19 C1 C6 C5 177.72(19) . .
C2 C1 C6 C20 -174.73(19) . .
C19 C1 C6 C20 0.0(3) . .
O2 C5 C6 C1 -178.1(2) . .
C4 C5 C6 C1 -2.5(3) . .
O2 C5 C6 C20 -0.6(3) . .
C4 C5 C6 C20 175.0(2) . .
LI2 O3 C8 C7 68.1(5) . .
LI2 O3 C8 C9 -113.7(4) . .
C12 C7 C8 O3 -172.2(2) . .
C19 C7 C8 O3 -0.6(3) . .
C12 C7 C8 C9 9.5(3) . .
C19 C7 C8 C9 -178.9(2) . .
O3 C8 C9 C10 179.2(2) . .
C7 C8 C9 C10 -2.5(3) . .
C8 C9 C10 C11 -3.0(4) . .
C9 C10 C11 O4 179.5(2) . .
C9 C10 C11 C12 2.0(3) . .
C8 C7 C12 C11 -11.0(3) . .
C19 C7 C12 C11 176.62(19) . .
C8 C7 C12 C20 165.90(19) . .
C19 C7 C12 C20 -6.5(3) . .
O4 C11 C12 C7 -172.5(2) . .
C10 C11 C12 C7 5.0(3) . .
O4 C11 C12 C20 11.0(3) . .
C10 C11 C12 C20 -171.6(2) . .
LI2 O5 C14 C15 28.4(3) 2_656 .
LI3 O5 C14 C15 -104.0(2) 2_656 .
LI2 O5 C14 C13 -150.1(2) 2_656 .
LI3 O5 C14 C13 77.6(3) 2_656 .
C18 C13 C14 O5 -176.1(2) . .
C19 C13 C14 O5 3.6(3) . .
C18 C13 C14 C15 5.4(3) . .
C19 C13 C14 C15 -174.93(19) . .
O5 C14 C15 C16 178.1(2) . .
C13 C14 C15 C16 -3.3(3) . .
C14 C15 C16 C17 -1.2(3) . .
LI1 O6 C17 C16 172.5(3) 1_455 .
LI3 O6 C17 C16 39.4(3) 1_455 .
LI1 O6 C17 C18 -11.0(4) 1_455 .
LI3 O6 C17 C18 -144.0(2) 1_455 .
C15 C16 C17 O6 -179.4(2) . .
C15 C16 C17 C18 3.8(3) . .
C14 C13 C18 C17 -2.9(3) . .
C19 C13 C18 C17 177.37(18) . .
C14 C13 C18 C20 176.99(18) . .
C19 C13 C18 C20 -2.7(3) . .
O6 C17 C18 C13 -178.5(2) . .
C16 C17 C18 C13 -1.8(3) . .
O6 C17 C18 C20 1.6(3) . .
C16 C17 C18 C20 178.36(19) . .
C6 C1 C19 C7 -56.9(2) . .
C2 C1 C19 C7 117.8(2) . .
C6 C1 C19 C13 54.7(2) . .
C2 C1 C19 C13 -130.7(2) . .
C12 C7 C19 C1 61.0(2) . .
C8 C7 C19 C1 -111.2(2) . .
C12 C7 C19 C13 -49.9(2) . .
C8 C7 C19 C13 137.9(2) . .
C18 C13 C19 C1 -53.3(2) . .
C14 C13 C19 C1 127.0(2) . .
C18 C13 C19 C7 55.3(2) . .
C14 C13 C19 C7 -124.4(2) . .
C13 C18 C20 C12 -53.4(2) . .
C17 C18 C20 C12 126.5(2) . .
C13 C18 C20 C6 57.1(2) . .
C17 C18 C20 C6 -123.0(2) . .
C7 C12 C20 C18 59.1(2) . .
C11 C12 C20 C18 -124.1(2) . .
C7 C12 C20 C6 -51.3(2) . .
C11 C12 C20 C6 125.6(2) . .
C1 C6 C20 C18 -55.8(2) . .
C5 C6 C20 C18 126.5(2) . .
C1 C6 C20 C12 55.1(2) . .
C5 C6 C20 C12 -122.5(2) . .
C8 O3 LI2 O5 -110.2(4) . 2_656
C8 O3 LI2 O8 13.6(6) . .
C8 O3 LI2 N1 136.6(4) . .
C8 O3 LI2 LI3 -70.4(5) . .
C8 O3 LI2 LI1 -21.5(5) . .
