#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:30:05 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229112 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/05/7230506.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_7230506
loop_
_publ_author_name
'Ge, Zhong-Yi'
'Zhu, Zhi-Biao'
'Deng, Zhao-Peng'
'Huo, Li-Hua'
'Gao, Shan'
_publ_section_title
;
 Structure evolution and luminescence properties of lithium(i)--sulfonate
 complexes constructed from multifunctional arenedisulfonic acids
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              2968
_journal_paper_doi               10.1039/C8CE00224J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C14 H13 Li3 O16 S2, H2 O'
_chemical_formula_sum            'C14 H15 Li3 O17 S2'
_chemical_formula_weight         540.20
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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_creation_method           SHELXL-97
_audit_update_record
;
2018-02-01 deposited with the CCDC.
2018-04-20 downloaded from the CCDC.
;
_cell_angle_alpha                103.42(3)
_cell_angle_beta                 105.59(3)
_cell_angle_gamma                111.57(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4773(19)
_cell_length_b                   11.234(2)
_cell_length_c                   11.395(2)
_cell_measurement_reflns_used    4595
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.03
_cell_volume                     1009.9(6)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_molecular_graphics    SHELXL-97
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_sigmaI/netI    0.0752
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8023
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.355
_exptl_absorpt_correction_T_max  0.9486
_exptl_absorpt_correction_T_min  0.9228
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         3543
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.1022
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1401P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1578
_refine_ls_wR_factor_ref         0.2264
_reflns_number_gt                2157
_reflns_number_total             3543
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8ce00224j2.cif
_cod_data_source_block           complex4
_cod_depositor_comments
'Adding full bibliography for 7230505--7230512.cif.'
_cod_database_code               7230506
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Li1 Li 0.0024(11) 0.2527(10) 0.3764(10) 0.042(2) Uani 1 1 d .
Li2 Li 0.3894(11) 0.3628(9) 0.3877(10) 0.038(2) Uani 1 1 d .
Li3 Li 0.1404(11) -0.1704(10) 0.0931(10) 0.043(2) Uani 1 1 d .
S1 S 0.14112(14) 0.05892(13) 0.29378(13) 0.0303(4) Uani 1 1 d .
S2 S 0.28740(15) 0.45295(14) 0.62866(13) 0.0312(4) Uani 1 1 d .
O1 O 0.2018(5) 0.0162(4) 0.1955(4) 0.0414(10) Uani 1 1 d .
O1W O -0.0197(5) 0.3814(4) 0.2966(4) 0.0413(10) Uani 1 1 d D
H1W1 H 0.053(5) 0.457(3) 0.301(7) 0.062 Uiso 1 1 d D
H1W2 H -0.108(4) 0.387(5) 0.289(6) 0.062 Uiso 1 1 d D
O2 O -0.0240(4) -0.0367(4) 0.2677(4) 0.0493(11) Uani 1 1 d .
O2W O 0.2194(5) -0.1689(5) -0.0419(5) 0.0672(15) Uani 1 1 d D
H2W1 H 0.1549 -0.2217 -0.1206 0.101 Uiso 1 1 d RD
H2W2 H 0.3193 -0.1151 -0.0241 0.101 Uiso 1 1 d RD
O3 O 0.1604(4) 0.1982(4) 0.3158(4) 0.0359(9) Uani 1 1 d .
O3W O 0.4732(6) -0.1405(6) 0.8432(5) 0.0686(14) Uani 1 1 d D
H3W1 H 0.504(8) -0.146(9) 0.918(4) 0.103 Uiso 1 1 d D
H3W2 H 0.557(6) -0.111(9) 0.824(7) 0.103 Uiso 1 1 d D
O4 O 0.4933(4) 0.2510(4) 0.4481(3) 0.0329(9) Uani 1 1 d .
H4O H 0.5895 0.3059 0.4960 0.049 Uiso 1 1 calc R
O5 O 0.7590(4) 0.3602(4) 0.6430(4) 0.0466(11) Uani 1 1 d .
O6 O 0.8001(4) 0.2627(4) 0.7873(4) 0.0371(9) Uani 1 1 d .
O7 O 0.2326(4) -0.1285(4) 0.6592(4) 0.0400(10) Uani 1 1 d .
H7O H 0.3058 -0.1315 0.7146 0.060 Uiso 1 1 calc R
O8 O 0.2843(4) 0.5784(4) 0.6938(4) 0.0432(10) Uani 1 1 d .
O9 O 0.1260(4) 0.3349(4) 0.5648(4) 0.0410(10) Uani 1 1 d .
O10 O 0.3741(4) 0.4723(4) 0.5411(3) 0.0325(9) Uani 1 1 d .
O11 O 0.6441(4) 0.6179(4) 0.7901(4) 0.0369(9) Uani 1 1 d .
H11O H 0.7405 0.6651 0.8416 0.055 Uiso 1 1 calc R
O12 O 0.9055(4) 0.5467(4) 1.0997(4) 0.0456(11) Uani 1 1 d .
H12O H 1.0021 0.6053 1.1400 0.068 Uiso 1 1 calc R
O13 O 0.9067(4) 0.6860(4) 0.9892(4) 0.0403(10) Uani 1 1 d .
O14 O 0.3420(4) 0.1693(4) 0.9149(4) 0.0424(10) Uani 1 1 d .
H14O H 0.2450 0.1233 0.8643 0.064 Uiso 1 1 calc R
C1 C 0.2679(6) 0.0624(5) 0.4427(4) 0.0246(11) Uani 1 1 d .
C2 C 0.4327(5) 0.1602(5) 0.5027(5) 0.0231(10) Uani 1 1 d .
C3 C 0.5329(5) 0.1603(5) 0.6189(5) 0.0261(11) Uani 1 1 d .
C4 C 0.4659(6) 0.0643(5) 0.6700(5) 0.0293(12) Uani 1 1 d .
H4A H 0.5327 0.0645 0.7467 0.035 Uiso 1 1 calc R
C5 C 0.3015(6) -0.0326(5) 0.6101(5) 0.0327(12) Uani 1 1 d .
C6 C 0.2021(6) -0.0315(5) 0.4948(5) 0.0330(13) Uani 1 1 d .
H6A H 0.0909 -0.0950 0.4537 0.040 Uiso 1 1 calc R
C7 C 0.7097(6) 0.2688(6) 0.6881(5) 0.0298(12) Uani 1 1 d .
C8 C 0.4048(6) 0.4185(5) 0.7534(5) 0.0278(12) Uani 1 1 d .
C9 C 0.5723(6) 0.5089(5) 0.8233(5) 0.0290(11) Uani 1 1 d .
C10 C 0.6576(6) 0.4822(5) 0.9266(5) 0.0299(12) Uani 1 1 d .
C11 C 0.5787(6) 0.3696(5) 0.9561(5) 0.0327(12) Uani 1 1 d .
H11A H 0.6374 0.3541 1.0256 0.039 Uiso 1 1 calc R
C12 C 0.4138(6) 0.2800(5) 0.8836(5) 0.0300(12) Uani 1 1 d .
C13 C 0.3273(6) 0.3057(5) 0.7807(5) 0.0288(12) Uani 1 1 d .
H13A H 0.2163 0.2458 0.7305 0.035 Uiso 1 1 calc R
C14 C 0.8337(6) 0.5804(6) 1.0072(5) 0.0342(13) 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O1W Li1 O9 114.3(5) . .
O1W Li1 O7 102.4(4) . 2_556
O9 Li1 O7 108.2(5) . 2_556
O1W Li1 O3 104.6(5) . .
O9 Li1 O3 100.7(4) . .
O7 Li1 O3 127.1(5) 2_556 .
O1W Li1 S2 98.6(4) . .
O9 Li1 S2 23.64(17) . .
O7 Li1 S2 130.8(5) 2_556 .
O3 Li1 S2 88.5(3) . .
O1W Li1 S1 124.7(4) . .
O9 Li1 S1 101.5(4) . .
O7 Li1 S1 104.7(4) 2_556 .
O3 Li1 S1 24.78(17) . .
S2 Li1 S1 98.7(3) . .
O1W Li1 Li2 88.5(4) . .
O9 Li1 Li2 80.0(3) . .
O7 Li1 Li2 161.5(5) 2_556 .
O3 Li1 Li2 34.5(2) . .
S2 Li1 Li2 60.4(2) . .
S1 Li1 Li2 56.9(2) . .
O10 Li2 O4 106.6(5) . .
O10 Li2 O11 128.9(5) . 2_666
O4 Li2 O11 123.3(4) . 2_666
O10 Li2 O3 97.7(4) . .
O4 Li2 O3 90.5(4) . .
O11 Li2 O3 92.4(4) 2_666 .
O10 Li2 O10 83.7(4) . 2_666
O4 Li2 O10 88.4(4) . 2_666
O11 Li2 O10 87.3(4) 2_666 2_666
O3 Li2 O10 178.5(5) . 2_666
O10 Li2 Li2 43.5(3) . 2_666
O4 Li2 Li2 99.6(5) . 2_666
O11 Li2 Li2 112.0(5) 2_666 2_666
O3 Li2 Li2 141.2(5) . 2_666
O10 Li2 Li2 40.2(2) 2_666 2_666
O10 Li2 Li1 66.5(3) . .
O4 Li2 Li1 112.1(4) . .
O11 Li2 Li1 100.8(4) 2_666 .
O3 Li2 Li1 34.2(2) . .
O10 Li2 Li1 147.3(4) 2_666 .
Li2 Li2 Li1 108.9(4) 2_666 .
O2W Li3 O1 108.6(5) . .
O2W Li3 O6 119.3(5) . 2_656
O1 Li3 O6 109.0(5) . 2_656
O2W Li3 O13 100.0(5) . 1_444
O1 Li3 O13 123.3(5) . 1_444
O6 Li3 O13 97.0(4) 2_656 1_444
O2W Li3 S1 130.9(5) . .
O1 Li3 S1 22.91(19) . .
O6 Li3 S1 96.7(4) 2_656 .
O13 Li3 S1 107.9(4) 1_444 .
O2 S1 O1 113.7(3) . .
O2 S1 O3 111.8(2) . .
O1 S1 O3 111.4(2) . .
O2 S1 C1 105.8(2) . .
O1 S1 C1 106.3(2) . .
O3 S1 C1 107.3(2) . .
O2 S1 Li3 86.5(3) . .
O3 S1 Li3 139.3(3) . .
C1 S1 Li3 101.6(3) . .
O2 S1 Li1 78.7(3) . .
O1 S1 Li1 140.9(3) . .
C1 S1 Li1 105.1(3) . .
Li3 S1 Li1 152.1(3) . .
O9 S2 O8 113.1(2) . .
O9 S2 O10 112.7(2) . .
O8 S2 O10 111.2(2) . .
O9 S2 C8 106.4(2) . .
O8 S2 C8 106.2(2) . .
O10 S2 C8 106.6(2) . .
O8 S2 Li1 117.5(2) . .
O10 S2 Li1 82.2(2) . .
C8 S2 Li1 128.6(3) . .
S1 O1 Li3 126.1(4) . .
Li1 O1W H1W1 131(4) . .
Li1 O1W H1W2 113(4) . .
H1W1 O1W H1W2 109(5) . .
Li3 O2W H2W1 120.0 . .
Li3 O2W H2W2 120.0 . .
H2W1 O2W H2W2 120.0 . .
S1 O3 Li1 119.5(3) . .
S1 O3 Li2 120.9(3) . .
Li1 O3 Li2 111.2(4) . .
H3W1 O3W H3W2 108(8) . .
C2 O4 Li2 124.9(4) . .
C2 O4 H4O 109.5 . .
Li2 O4 H4O 105.8 . .
C7 O6 Li3 154.6(5) . 2_656
C5 O7 Li1 132.6(4) . 2_556
C5 O7 H7O 109.5 . .
Li1 O7 H7O 117.9 2_556 .
S2 O9 Li1 123.8(4) . .
S2 O10 Li2 139.7(4) . .
S2 O10 Li2 119.5(3) . 2_666
Li2 O10 Li2 96.3(4) . 2_666
C9 O11 Li2 131.5(4) . 2_666
C9 O11 H11O 109.5 . .
Li2 O11 H11O 111.3 2_666 .
C14 O12 H12O 109.5 . .
C14 O13 Li3 127.0(5) . 1_666
C12 O14 H14O 109.5 . .
C6 C1 C2 121.4(4) . .
C6 C1 S1 119.5(4) . .
C2 C1 S1 119.1(4) . .
O4 C2 C1 119.7(4) . .
O4 C2 C3 121.6(4) . .
C1 C2 C3 118.7(4) . .
C4 C3 C2 119.5(4) . .
C4 C3 C7 121.0(5) . .
C2 C3 C7 119.4(4) . .
C3 C4 C5 121.6(5) . .
C3 C4 H4A 119.2 . .
C5 C4 H4A 119.2 . .
O7 C5 C4 122.5(5) . .
O7 C5 C6 118.8(4) . .
C4 C5 C6 118.6(5) . .
C1 C6 C5 120.2(4) . .
C1 C6 H6A 119.9 . .
C5 C6 H6A 119.9 . .
O5 C7 O6 123.5(5) . .
O5 C7 C3 117.9(5) . .
O6 C7 C3 118.6(5) . .
C13 C8 C9 122.0(5) . .
C13 C8 S2 118.8(4) . .
C9 C8 S2 119.3(4) . .
O11 C9 C8 119.5(5) . .
O11 C9 C10 123.3(4) . .
C8 C9 C10 117.2(5) . .
C11 C10 C9 121.0(5) . .
C11 C10 C14 120.4(5) . .
C9 C10 C14 118.6(5) . .
C12 C11 C10 120.7(5) . .
C12 C11 H11A 119.7 . .
C10 C11 H11A 119.7 . .
O14 C12 C11 118.6(5) . .
O14 C12 C13 122.5(4) . .
C11 C12 C13 118.9(5) . .
C8 C13 C12 120.3(5) . .
C8 C13 H13A 119.8 . .
C12 C13 H13A 119.8 . .
O13 C14 O12 122.4(5) . .
O13 C14 C10 122.7(5) . .
O12 C14 C10 114.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O1W 1.921(11) .
Li1 O9 1.940(11) .
Li1 O7 2.009(10) 2_556
Li1 O3 2.032(10) .
Li1 S2 2.996(10) .
Li1 S1 3.029(10) .
Li1 Li2 3.367(12) .
Li2 O10 1.964(10) .
Li2 O4 1.991(10) .
Li2 O11 2.040(11) 2_666
Li2 O3 2.048(10) .
Li2 O10 2.094(10) 2_666
Li2 Li2 3.025(19) 2_666
Li3 O2W 1.884(11) .
Li3 O1 1.923(10) .
Li3 O6 1.980(11) 2_656
Li3 O13 1.997(10) 1_444
Li3 S1 3.018(10) .
S1 O2 1.434(4) .
S1 O1 1.455(4) .
S1 O3 1.458(4) .
S1 C1 1.778(5) .
S2 O9 1.446(4) .
S2 O8 1.448(4) .
S2 O10 1.459(3) .
S2 C8 1.770(5) .
O1W H1W1 0.85(6) .
O1W H1W2 0.85(6) .
O2W H2W1 0.8500 .
O2W H2W2 0.8501 .
O3W H3W1 0.85(6) .
O3W H3W2 0.85(6) .
O4 C2 1.347(6) .
O4 H4O 0.8200 .
O5 C7 1.248(7) .
O6 C7 1.255(6) .
O6 Li3 1.980(11) 2_656
O7 C5 1.364(6) .
O7 Li1 2.009(10) 2_556
O7 H7O 0.8200 .
O10 Li2 2.094(10) 2_666
O11 C9 1.358(6) .
O11 Li2 2.040(11) 2_666
O11 H11O 0.8200 .
O12 C14 1.306(7) .
O12 H12O 0.8200 .
O13 C14 1.230(6) .
O13 Li3 1.997(10) 1_666
O14 C12 1.360(6) .
O14 H14O 0.8200 .
C1 C6 1.364(7) .
C1 C2 1.389(6) .
C2 C3 1.406(7) .
C3 C4 1.376(7) .
C3 C7 1.503(7) .
C4 C5 1.384(7) .
C4 H4A 0.9300 .
C5 C6 1.401(8) .
C6 H6A 0.9300 .
C8 C13 1.364(7) .
C8 C9 1.395(7) .
C9 C10 1.400(7) .
C10 C11 1.382(7) .
C10 C14 1.483(7) .
C11 C12 1.379(7) .
C11 H11A 0.9300 .
C12 C13 1.395(7) .
C13 H13A 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1W1 O5 0.85(6) 1.97(2) 2.809(6) 166(7) 2_666
O1W H1W2 O8 0.85(6) 1.891(17) 2.731(5) 169(6) 2_566
O2W H2W1 O1W 0.85 2.04 2.866(6) 165.7 2
O2W H2W2 O3W 0.85 2.40 2.987(7) 126.2 1_554
O3W H3W1 O14 0.85(6) 2.20(3) 3.001(6) 157(7) 2_657
O3W H3W2 O1 0.85(6) 2.233(18) 3.080(6) 171(7) 2_656
O4 H4O O5 0.82 1.77 2.498(5) 147.7 .
O7 H7O O3W 0.82 1.90 2.720(6) 179.3 .
O11 H11O O13 0.82 1.87 2.585(5) 145.7 .
O12 H12O O6 0.82 1.72 2.535(5) 173.5 2_767
O14 H14O O2 0.82 1.93 2.743(5) 170.9 2_556
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
O1W Li1 Li2 O10 87.3(4) . .
O9 Li1 Li2 O10 -27.7(3) . .
O7 Li1 Li2 O10 -145.9(16) 2_556 .
O3 Li1 Li2 O10 -153.8(6) . .
S2 Li1 Li2 O10 -13.5(2) . .
S1 Li1 Li2 O10 -138.6(4) . .
O1W Li1 Li2 O4 -173.5(5) . .
O9 Li1 Li2 O4 71.5(5) . .
O7 Li1 Li2 O4 -46.7(17) 2_556 .
O3 Li1 Li2 O4 -54.6(5) . .
S2 Li1 Li2 O4 85.7(4) . .
S1 Li1 Li2 O4 -39.4(3) . .
O1W Li1 Li2 O11 -40.6(4) . 2_666
O9 Li1 Li2 O11 -155.6(4) . 2_666
O7 Li1 Li2 O11 86.2(16) 2_556 2_666
O3 Li1 Li2 O11 78.3(5) . 2_666
S2 Li1 Li2 O11 -141.4(4) . 2_666
S1 Li1 Li2 O11 93.5(3) . 2_666
O1W Li1 Li2 O3 -118.9(6) . .
O9 Li1 Li2 O3 126.1(6) . .
O7 Li1 Li2 O3 7.9(15) 2_556 .
S2 Li1 Li2 O3 140.4(5) . .
S1 Li1 Li2 O3 15.2(3) . .
O1W Li1 Li2 O10 61.3(9) . 2_666
O9 Li1 Li2 O10 -53.7(9) . 2_666
O7 Li1 Li2 O10 -171.9(13) 2_556 2_666
O3 Li1 Li2 O10 -179.8(10) . 2_666
S2 Li1 Li2 O10 -39.5(8) . 2_666
S1 Li1 Li2 O10 -164.6(9) . 2_666
O1W Li1 Li2 Li2 77.3(6) . 2_666
O9 Li1 Li2 Li2 -37.7(6) . 2_666
O7 Li1 Li2 Li2 -155.9(15) 2_556 2_666
O3 Li1 Li2 Li2 -163.8(7) . 2_666
S2 Li1 Li2 Li2 -23.4(4) . 2_666
S1 Li1 Li2 Li2 -148.6(6) . 2_666
O2W Li3 S1 O2 137.6(6) . .
O1 Li3 S1 O2 152.0(5) . .
O6 Li3 S1 O2 -83.5(3) 2_656 .
O13 Li3 S1 O2 16.1(4) 1_444 .
O2W Li3 S1 O1 -14.5(4) . .
O6 Li3 S1 O1 124.5(6) 2_656 .
O13 Li3 S1 O1 -135.9(7) 1_444 .
O2W Li3 S1 O3 17.5(8) . .
O1 Li3 S1 O3 32.0(6) . .
O6 Li3 S1 O3 156.5(3) 2_656 .
O13 Li3 S1 O3 -103.9(5) 1_444 .
O2W Li3 S1 C1 -117.0(6) . .
O1 Li3 S1 C1 -102.5(5) . .
O6 Li3 S1 C1 21.9(4) 2_656 .
O13 Li3 S1 C1 121.6(4) 1_444 .
O2W Li3 S1 Li1 79.8(8) . .
O1 Li3 S1 Li1 94.3(7) . .
O6 Li3 S1 Li1 -141.3(5) 2_656 .
O13 Li3 S1 Li1 -41.6(8) 1_444 .
O1W Li1 S1 O2 -117.8(5) . .
O9 Li1 S1 O2 111.6(4) . .
O7 Li1 S1 O2 -1.0(4) 2_556 .
O3 Li1 S1 O2 -157.8(4) . .
S2 Li1 S1 O2 135.4(3) . .
Li2 Li1 S1 O2 -178.6(3) . .
O1W Li1 S1 O1 -4.0(7) . .
O9 Li1 S1 O1 -134.6(4) . .
O7 Li1 S1 O1 112.9(4) 2_556 .
O3 Li1 S1 O1 -44.0(6) . .
S2 Li1 S1 O1 -110.7(4) . .
Li2 Li1 S1 O1 -64.8(4) . .
O1W Li1 S1 O3 40.0(4) . .
O9 Li1 S1 O3 -90.6(5) . .
O7 Li1 S1 O3 156.9(7) 2_556 .
S2 Li1 S1 O3 -66.7(4) . .
Li2 Li1 S1 O3 -20.7(4) . .
O1W Li1 S1 C1 138.7(5) . .
O9 Li1 S1 C1 8.1(4) . .
O7 Li1 S1 C1 -104.5(4) 2_556 .
O3 Li1 S1 C1 98.6(4) . .
S2 Li1 S1 C1 31.9(3) . .
Li2 Li1 S1 C1 77.9(3) . .
O1W Li1 S1 Li3 -58.4(8) . .
O9 Li1 S1 Li3 171.0(4) . .
O7 Li1 S1 Li3 58.4(8) 2_556 .
O3 Li1 S1 Li3 -98.4(6) . .
S2 Li1 S1 Li3 -165.2(4) . .
Li2 Li1 S1 Li3 -119.2(6) . .
O1W Li1 S2 O9 133.8(6) . .
O7 Li1 S2 O9 19.2(4) 2_556 .
O3 Li1 S2 O9 -121.6(6) . .
S1 Li1 S2 O9 -99.0(5) . .
Li2 Li1 S2 O9 -142.8(5) . .
O1W Li1 S2 O8 43.5(4) . .
O9 Li1 S2 O8 -90.3(5) . .
O7 Li1 S2 O8 -71.2(6) 2_556 .
O3 Li1 S2 O8 148.1(3) . .
S1 Li1 S2 O8 170.7(2) . .
Li2 Li1 S2 O8 126.8(3) . .
O1W Li1 S2 O10 -66.5(4) . .
O9 Li1 S2 O10 159.7(5) . .
O7 Li1 S2 O10 178.9(6) 2_556 .
O3 Li1 S2 O10 38.1(3) . .
S1 Li1 S2 O10 60.7(3) . .
Li2 Li1 S2 O10 16.9(2) . .
O1W Li1 S2 C8 -171.5(3) . .
O9 Li1 S2 C8 54.7(5) . .
O7 Li1 S2 C8 73.8(6) 2_556 .
O3 Li1 S2 C8 -67.0(4) . .
S1 Li1 S2 C8 -44.3(4) . .
Li2 Li1 S2 C8 -88.2(3) . .
O2 S1 O1 Li3 -30.8(5) . .
O3 S1 O1 Li3 -158.2(5) . .
C1 S1 O1 Li3 85.3(5) . .
Li1 S1 O1 Li3 -132.4(5) . .
O2W Li3 O1 S1 168.5(3) . .
O6 Li3 O1 S1 -60.0(6) 2_656 .
O13 Li3 O1 S1 52.4(8) 1_444 .
O2 S1 O3 Li1 23.5(5) . .
O1 S1 O3 Li1 151.9(4) . .
C1 S1 O3 Li1 -92.1(4) . .
Li3 S1 O3 Li1 134.9(5) . .
O2 S1 O3 Li2 168.8(4) . .
O1 S1 O3 Li2 -62.7(4) . .
C1 S1 O3 Li2 53.2(4) . .
Li3 S1 O3 Li2 -79.8(5) . .
Li1 S1 O3 Li2 145.4(6) . .
O1W Li1 O3 S1 -146.8(3) . .
O9 Li1 O3 S1 94.4(4) . .
O7 Li1 O3 S1 -28.4(8) 2_556 .
S2 Li1 O3 S1 114.7(3) . .
Li2 Li1 O3 S1 148.4(5) . .
O1W Li1 O3 Li2 64.7(6) . .
O9 Li1 O3 Li2 -54.1(6) . .
O7 Li1 O3 Li2 -176.9(6) 2_556 .
S2 Li1 O3 Li2 -33.7(4) . .
S1 Li1 O3 Li2 -148.4(5) . .
O10 Li2 O3 S1 -123.8(4) . .
O4 Li2 O3 S1 -17.0(5) . .
O11 Li2 O3 S1 106.4(4) 2_666 .
Li2 Li2 O3 S1 -123.0(8) 2_666 .
Li1 Li2 O3 S1 -147.9(6) . .
O10 Li2 O3 Li1 24.1(6) . .
O4 Li2 O3 Li1 130.9(4) . .
O11 Li2 O3 Li1 -105.7(4) 2_666 .
Li2 Li2 O3 Li1 24.9(11) 2_666 .
O10 Li2 O4 C2 58.6(6) . .
O11 Li2 O4 C2 -132.8(5) 2_666 .
O3 Li2 O4 C2 -39.6(6) . .
O10 Li2 O4 C2 141.5(4) 2_666 .
Li2 Li2 O4 C2 102.7(5) 2_666 .
Li1 Li2 O4 C2 -12.3(6) . .
O8 S2 O9 Li1 105.4(5) . .
O10 S2 O9 Li1 -21.9(5) . .
C8 S2 O9 Li1 -138.4(4) . .
O1W Li1 O9 S2 -51.5(6) . .
O7 Li1 O9 S2 -164.8(3) 2_556 .
O3 Li1 O9 S2 60.0(6) . .
S1 Li1 O9 S2 85.3(4) . .
Li2 Li1 O9 S2 32.2(4) . .
O9 S2 O10 Li2 -30.3(6) . .
O8 S2 O10 Li2 -158.6(5) . .
C8 S2 O10 Li2 86.1(6) . .
Li1 S2 O10 Li2 -42.0(6) . .
O9 S2 O10 Li2 -180.0(4) . 2_666
O8 S2 O10 Li2 51.8(4) . 2_666
C8 S2 O10 Li2 -63.6(4) . 2_666
Li1 S2 O10 Li2 168.4(4) . 2_666
O4 Li2 O10 S2 -67.3(7) . .
O11 Li2 O10 S2 124.9(6) 2_666 .
O3 Li2 O10 S2 25.5(7) . .
O10 Li2 O10 S2 -153.7(5) 2_666 .
Li2 Li2 O10 S2 -153.7(5) 2_666 .
Li1 Li2 O10 S2 40.0(5) . .
O4 Li2 O10 Li2 86.5(4) . 2_666
O11 Li2 O10 Li2 -81.3(6) 2_666 2_666
O3 Li2 O10 Li2 179.3(6) . 2_666
O10 Li2 O10 Li2 0.0 2_666 2_666
Li1 Li2 O10 Li2 -166.2(4) . 2_666
O2 S1 C1 C6 9.3(5) . .
O1 S1 C1 C6 -111.9(4) . .
O3 S1 C1 C6 128.9(4) . .
Li3 S1 C1 C6 -80.3(4) . .
Li1 S1 C1 C6 91.7(4) . .
O2 S1 C1 C2 -171.4(4) . .
O1 S1 C1 C2 67.4(4) . .
O3 S1 C1 C2 -51.9(4) . .
Li3 S1 C1 C2 98.9(4) . .
Li1 S1 C1 C2 -89.1(4) . .
Li2 O4 C2 C1 49.0(7) . .
Li2 O4 C2 C3 -131.7(5) . .
C6 C1 C2 O4 179.9(4) . .
S1 C1 C2 O4 0.6(6) . .
C6 C1 C2 C3 0.6(7) . .
S1 C1 C2 C3 -178.7(4) . .
O4 C2 C3 C4 -179.2(4) . .
C1 C2 C3 C4 0.1(7) . .
O4 C2 C3 C7 3.2(7) . .
C1 C2 C3 C7 -177.5(4) . .
C2 C3 C4 C5 -0.3(7) . .
C7 C3 C4 C5 177.3(4) . .
Li1 O7 C5 C4 164.3(5) 2_556 .
Li1 O7 C5 C6 -15.4(8) 2_556 .
C3 C4 C5 O7 -179.9(5) . .
C3 C4 C5 C6 -0.2(8) . .
C2 C1 C6 C5 -1.0(8) . .
S1 C1 C6 C5 178.2(4) . .
O7 C5 C6 C1 -179.4(5) . .
C4 C5 C6 C1 0.9(8) . .
Li3 O6 C7 O5 -162.7(9) 2_656 .
Li3 O6 C7 C3 16.9(13) 2_656 .
C4 C3 C7 O5 -173.7(5) . .
C2 C3 C7 O5 3.8(7) . .
C4 C3 C7 O6 6.6(7) . .
C2 C3 C7 O6 -175.8(5) . .
O9 S2 C8 C13 -8.3(5) . .
O8 S2 C8 C13 112.5(4) . .
O10 S2 C8 C13 -128.8(4) . .
Li1 S2 C8 C13 -35.5(5) . .
O9 S2 C8 C9 173.4(4) . .
O8 S2 C8 C9 -65.8(4) . .
O10 S2 C8 C9 52.9(4) . .
Li1 S2 C8 C9 146.2(4) . .
Li2 O11 C9 C8 -38.0(7) 2_666 .
Li2 O11 C9 C10 142.9(5) 2_666 .
C13 C8 C9 O11 178.6(4) . .
S2 C8 C9 O11 -3.2(6) . .
C13 C8 C9 C10 -2.3(7) . .
S2 C8 C9 C10 176.0(4) . .
O11 C9 C10 C11 -179.9(4) . .
C8 C9 C10 C11 1.0(8) . .
O11 C9 C10 C14 2.3(8) . .
C8 C9 C10 C14 -176.9(4) . .
C9 C10 C11 C12 0.5(8) . .
C14 C10 C11 C12 178.3(5) . .
C10 C11 C12 O14 178.9(5) . .
C10 C11 C12 C13 -0.7(8) . .
C9 C8 C13 C12 2.1(8) . .
S2 C8 C13 C12 -176.1(4) . .
O14 C12 C13 C8 179.9(4) . .
C11 C12 C13 C8 -0.6(8) . .
Li3 O13 C14 O12 -1.6(9) 1_666 .
Li3 O13 C14 C10 178.0(5) 1_666 .
C11 C10 C14 O13 -175.9(5) . .
C9 C10 C14 O13 1.9(8) . .
C11 C10 C14 O12 3.6(7) . .
C9 C10 C14 O12 -178.5(5) . .
