#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:30:05 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229112 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/05/7230512.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_7230512
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         '2(C7 H13 Li3 O12 S), H2 O'
_chemical_formula_sum            'C14 H28 Li6 O25 S2'
_chemical_formula_weight         702.12
_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                94.93(3)
_cell_angle_beta                 96.12(3)
_cell_angle_gamma                106.26(3)
_cell_formula_units_Z            1
_cell_length_a                   6.7398(13)
_cell_length_b                   8.9279(18)
_cell_length_c                   11.803(2)
_cell_measurement_reflns_used    5270
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.15
_cell_volume                     672.9(3)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0791
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5315
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.13
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.307
_exptl_absorpt_correction_T_max  0.9670
_exptl_absorpt_correction_T_min  0.9327
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             362
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.897
_refine_diff_density_min         -0.643
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         2366
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0542
_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)+(0.0926P)²+0.6912P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1483
_refine_ls_wR_factor_ref         0.1587
_reflns_number_gt                2289
_reflns_number_total             2366
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8ce00224j2.cif
_cod_data_source_block           complex8
_cod_depositor_comments
'Adding full bibliography for 7230505--7230512.cif.'
_cod_original_cell_volume        672.9(2)
_cod_database_code               7230512
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 0.3243(9) 0.8842(6) 0.0280(5) 0.0384(13) Uani 1 1 d .
Li2 Li 0.1177(8) 0.6855(6) 0.7815(4) 0.0285(10) Uani 1 1 d .
Li3 Li 0.4762(9) 1.3967(6) 0.5867(6) 0.0470(15) Uani 1 1 d .
S1 S 0.03603(10) 0.68071(7) 0.16516(5) 0.0224(3) Uani 1 1 d .
O1 O -0.1393(4) 0.7146(3) 0.1004(2) 0.0436(6) Uani 1 1 d .
O1W O 0.3569(3) 1.0551(3) -0.08272(18) 0.0319(5) Uani 1 1 d D
H1W1 H 0.297(5) 1.127(3) -0.071(3) 0.048 Uiso 1 1 d D
H1W2 H 0.327(6) 1.019(4) -0.1541(12) 0.048 Uiso 1 1 d D
O2 O -0.0299(5) 0.5362(2) 0.21498(19) 0.0466(7) Uani 1 1 d .
O2W O -0.0581(6) 0.7605(4) 0.8738(3) 0.0806(12) Uani 1 1 d D
H2W1 H -0.081(10) 0.730(7) 0.939(3) 0.121 Uiso 1 1 d D
H2W2 H -0.120(9) 0.830(6) 0.861(5) 0.121 Uiso 1 1 d D
O3W O 0.3980(3) 0.7432(3) 0.8685(2) 0.0392(6) Uani 1 1 d D
H3W1 H 0.497(4) 0.811(3) 0.846(4) 0.059 Uiso 1 1 d D
H3W2 H 0.437(5) 0.665(3) 0.885(4) 0.059 Uiso 1 1 d D
O3 O 0.2007(3) 0.6819(2) 0.09476(18) 0.0327(5) Uani 1 1 d .
O4 O 0.2626(3) 1.0224(2) 0.15852(16) 0.0252(5) Uani 1 1 d .
O4W O 0.2832(3) 1.5004(3) 0.4995(3) 0.0415(6) Uani 1 1 d D
H4W1 H 0.238(5) 1.567(3) 0.535(3) 0.062 Uiso 1 1 d D
H4W2 H 0.185(4) 1.427(3) 0.461(3) 0.062 Uiso 1 1 d D
O5 O 0.3542(3) 1.1709(2) 0.55973(17) 0.0268(5) Uani 1 1 d .
H5O H 0.3333 1.1314 0.6192 0.040 Uiso 1 1 calc R
O5W O 0.5133(7) 1.4510(6) 0.7472(4) 0.131(2) Uani 1 1 d .
H5W1 H 0.6032 1.4035 0.7650 0.196 Uiso 1 1 d R
H5W2 H 0.4749 1.4820 0.8091 0.196 Uiso 1 1 d R
O6 O 0.2363(3) 0.9612(2) 0.68720(17) 0.0303(5) Uani 1 1 d .
O6W O 0.5000 0.5000 1.0000 0.177(5) Uani 1 2 d S
H6W1 H 0.3803 0.4392 0.9719 0.265 Uiso 0.50 1 d PR
H6W2 H 0.5914 0.4591 0.9783 0.265 Uiso 0.50 1 d PR
O7 O 0.1015(3) 0.7093(2) 0.61635(17) 0.0289(5) Uani 1 1 d .
C1 C 0.1370(4) 0.8283(3) 0.2814(2) 0.0199(6) Uani 1 1 d .
C2 C 0.2379(4) 0.9853(3) 0.2614(2) 0.0204(6) Uani 1 1 d .
C3 C 0.3071(4) 1.0968(3) 0.3596(2) 0.0225(6) Uani 1 1 d .
H3A H 0.3710 1.2011 0.3506 0.027 Uiso 1 1 calc R
C4 C 0.2835(4) 1.0570(3) 0.4679(2) 0.0200(6) Uani 1 1 d .
C5 C 0.1889(4) 0.8999(3) 0.4871(2) 0.0206(6) Uani 1 1 d .
C6 C 0.1154(4) 0.7901(3) 0.3901(2) 0.0201(6) Uani 1 1 d .
H6A H 0.0489 0.6865 0.3995 0.024 Uiso 1 1 calc R
C7 C 0.1735(4) 0.8544(3) 0.6028(2) 0.0219(6) 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
O3 Li1 O4 93.7(2) . .
O3 Li1 O1W 159.5(3) . .
O4 Li1 O1W 93.8(2) . .
O3 Li1 O1W 105.2(3) . 2_675
O4 Li1 O1W 95.1(3) . 2_675
O1W Li1 O1W 93.1(2) . 2_675
O3 Li1 O3W 91.0(2) . 1_554
O4 Li1 O3W 175.1(3) . 1_554
O1W Li1 O3W 81.3(2) . 1_554
O1W Li1 O3W 85.2(2) 2_675 1_554
O3 Li1 Li1 150.6(4) . 2_675
O4 Li1 Li1 96.4(3) . 2_675
O1W Li1 Li1 46.61(17) . 2_675
O1W Li1 Li1 46.50(18) 2_675 2_675
O3W Li1 Li1 80.2(2) 1_554 2_675
O3 Li1 S1 25.79(10) . .
O4 Li1 S1 71.03(16) . .
O1W Li1 S1 145.5(3) . .
O1W Li1 S1 118.3(2) 2_675 .
O3W Li1 S1 113.1(2) 1_554 .
Li1 Li1 S1 160.7(3) 2_675 .
O3 Li1 Li2 85.8(2) . 1_554
O4 Li1 Li2 141.8(3) . 1_554
O1W Li1 Li2 76.6(2) . 1_554
O1W Li1 Li2 122.0(2) 2_675 1_554
O3W Li1 Li2 37.10(14) 1_554 1_554
Li1 Li1 Li2 102.6(3) 2_675 1_554
S1 Li1 Li2 96.11(18) . 1_554
O2W Li2 O2 103.8(3) . 2_566
O2W Li2 O3W 108.0(3) . .
O2 Li2 O3W 101.3(3) 2_566 .
O2W Li2 O7 120.4(3) . .
O2 Li2 O7 104.1(2) 2_566 .
O3W Li2 O7 116.4(3) . .
O2W Li2 C7 108.5(2) . .
O2 Li2 C7 130.5(2) 2_566 .
O3W Li2 C7 103.0(2) . .
O7 Li2 C7 26.52(11) . .
O2W Li2 Li1 61.8(2) . 1_556
O2 Li2 Li1 113.8(2) 2_566 1_556
O3W Li2 Li1 46.30(17) . 1_556
O7 Li2 Li1 140.4(2) . 1_556
C7 Li2 Li1 114.3(2) . 1_556
O5W Li3 O5 106.2(4) . .
O5W Li3 O4W 113.4(3) . .
O5 Li3 O4W 108.9(3) . .
O5W Li3 O4W 117.3(3) . 2_686
O5 Li3 O4W 119.0(3) . 2_686
O4W Li3 O4W 91.4(3) . 2_686
O5W Li3 Li3 127.8(4) . 2_686
O5 Li3 Li3 125.3(4) . 2_686
O4W Li3 Li3 45.77(19) . 2_686
O4W Li3 Li3 45.58(19) 2_686 2_686
O5W Li3 H5W1 22.8 . .
O5 Li3 H5W1 95.7 . .
O4W Li3 H5W1 136.1 . .
O4W Li3 H5W1 108.0 2_686 .
Li3 Li3 H5W1 137.5 2_686 .
O2 S1 O3 112.33(15) . .
O2 S1 O1 111.44(17) . .
O3 S1 O1 110.90(14) . .
O2 S1 C1 105.59(13) . .
O3 S1 C1 108.10(13) . .
O1 S1 C1 108.19(13) . .
O2 S1 Li1 149.53(16) . .
O1 S1 Li1 89.42(16) . .
C1 S1 Li1 87.43(14) . .
Li1 O1W Li1 86.9(2) . 2_675
Li1 O1W H1W1 118(2) . .
Li1 O1W H1W1 117(2) 2_675 .
Li1 O1W H1W2 114(2) . .
Li1 O1W H1W2 112(3) 2_675 .
H1W1 O1W H1W2 107.7(16) . .
S1 O2 Li2 156.9(2) . 2_566
Li2 O2W H2W1 122(4) . .
Li2 O2W H2W2 128(4) . .
H2W1 O2W H2W2 110(4) . .
Li2 O3W Li1 96.6(2) . 1_556
Li2 O3W H3W1 119(3) . .
Li1 O3W H3W1 103(3) 1_556 .
Li2 O3W H3W2 113(3) . .
Li1 O3W H3W2 113(3) 1_556 .
H3W1 O3W H3W2 110.2(17) . .
S1 O3 Li1 116.8(2) . .
C2 O4 Li1 125.6(2) . .
Li3 O4W Li3 88.6(3) . 2_686
Li3 O4W H4W1 120(3) . .
Li3 O4W H4W1 112(3) 2_686 .
Li3 O4W H4W2 107(3) . .
Li3 O4W H4W2 116(3) 2_686 .
H4W1 O4W H4W2 111.3(18) . .
C4 O5 Li3 137.8(3) . .
C4 O5 H5O 109.5 . .
Li3 O5 H5O 112.7 . .
Li3 O5W H5W1 98.0 . .
Li3 O5W H5W2 152.8 . .
H5W1 O5W H5W2 107.6 . .
H6W1 O6W H6W2 108.2 . .
C7 O7 Li2 110.0(2) . .
C6 C1 C2 121.3(2) . .
C6 C1 S1 118.8(2) . .
C2 C1 S1 119.9(2) . .
O4 C2 C3 122.3(2) . .
O4 C2 C1 121.9(2) . .
C3 C2 C1 115.8(2) . .
C4 C3 C2 122.2(2) . .
C4 C3 H3A 118.9 . .
C2 C3 H3A 118.9 . .
O5 C4 C3 119.3(2) . .
O5 C4 C5 119.2(2) . .
C3 C4 C5 121.5(2) . .
C6 C5 C4 116.4(2) . .
C6 C5 C7 121.6(2) . .
C4 C5 C7 122.0(2) . .
C1 C6 C5 122.7(2) . .
C1 C6 H6A 118.7 . .
C5 C6 H6A 118.7 . .
O6 C7 O7 121.9(2) . .
O6 C7 C5 118.3(2) . .
O7 C7 C5 119.8(2) . .
O6 C7 Li2 78.40(19) . .
C5 C7 Li2 163.1(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O3 2.029(6) .
Li1 O4 2.041(6) .
Li1 O1W 2.074(6) .
Li1 O1W 2.078(6) 2_675
Li1 O3W 2.349(6) 1_554
Li1 Li1 2.855(10) 2_675
Li1 S1 2.982(5) .
Li1 Li2 3.227(8) 1_554
Li2 O2W 1.906(6) .
Li2 O2 1.906(5) 2_566
Li2 O3W 1.960(6) .
Li2 O7 1.974(5) .
Li2 C7 2.696(6) .
Li2 Li1 3.227(8) 1_556
Li3 O5W 1.887(9) .
Li3 O5 1.935(6) .
Li3 O4W 2.040(7) .
Li3 O4W 2.047(7) 2_686
Li3 Li3 2.855(13) 2_686
Li3 H5W1 2.1747 .
S1 O2 1.440(2) .
S1 O3 1.454(2) .
S1 O1 1.456(2) .
S1 C1 1.752(3) .
O1W Li1 2.078(6) 2_675
O1W H1W1 0.86(3) .
O1W H1W2 0.86(3) .
O2 Li2 1.906(5) 2_566
O2W H2W1 0.85(4) .
O2W H2W2 0.85(4) .
O3W Li1 2.349(6) 1_556
O3W H3W1 0.85(4) .
O3W H3W2 0.85(4) .
O4 C2 1.301(3) .
O4W Li3 2.047(7) 2_686
O4W H4W1 0.85(4) .
O4W H4W2 0.85(4) .
O5 C4 1.366(3) .
O5 H5O 0.8200 .
O5W H5W1 0.8500 .
O5W H5W2 0.8500 .
O6 C7 1.266(3) .
O6W H6W1 0.8500 .
O6W H6W2 0.8500 .
O7 C7 1.281(3) .
C1 C6 1.368(4) .
C1 C2 1.428(4) .
C2 C3 1.407(4) .
C3 C4 1.370(4) .
C3 H3A 0.9300 .
C4 C5 1.418(4) .
C5 C6 1.390(4) .
C5 C7 1.463(4) .
C6 H6A 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 O1 0.86(3) 2.024(15) 2.849(3) 162(3) 2_575
O1W H1W2 O6 0.86(3) 1.887(12) 2.738(3) 171(3) 1_554
O2W H2W1 O1 0.85(4) 1.99(4) 2.828(4) 165(5) 1_556
O2W H2W2 O4 0.85(4) 1.85(6) 2.704(3) 176(5) 2_576
O3W H3W1 O4 0.85(4) 1.879(17) 2.703(3) 163(4) 2_676
O3W H3W2 O6W 0.85(4) 2.18(2) 2.964(2) 154(4) .
O4W H4W1 O7 0.85(4) 2.00(3) 2.842(3) 174(3) 1_565
O4W H4W2 O7 0.85(4) 2.040(16) 2.861(3) 164(3) 2_576
O5 H5O O6 0.82 1.77 2.511(3) 148.8 .
O5W H5W1 O3 0.85 2.32 3.082(5) 149.3 2_676
O5W H5W2 O6W 0.85 2.23 2.992(5) 149.3 1_565
O6W H6W1 O1 0.85 1.87 2.715(3) 171.1 2_566
O6W H6W2 O3 0.85 2.31 3.156(2) 171.6 2_666
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
O3 Li1 S1 O2 7.8(4) . .
O4 Li1 S1 O2 -142.3(2) . .
O1W Li1 S1 O2 149.9(4) . .
O1W Li1 S1 O2 -56.8(4) 2_675 .
O3W Li1 S1 O2 40.5(4) 1_554 .
Li1 Li1 S1 O2 -90.9(10) 2_675 .
Li2 Li1 S1 O2 74.8(3) 1_554 .
O4 Li1 S1 O3 -150.1(3) . .
O1W Li1 S1 O3 142.1(6) . .
O1W Li1 S1 O3 -64.6(3) 2_675 .
O3W Li1 S1 O3 32.7(2) 1_554 .
Li1 Li1 S1 O3 -98.7(11) 2_675 .
Li2 Li1 S1 O3 67.0(2) 1_554 .
O3 Li1 S1 O1 -126.9(2) . .
O4 Li1 S1 O1 83.00(18) . .
O1W Li1 S1 O1 15.2(5) . .
O1W Li1 S1 O1 168.5(3) 2_675 .
O3W Li1 S1 O1 -94.2(2) 1_554 .
Li1 Li1 S1 O1 134.4(10) 2_675 .
Li2 Li1 S1 O1 -59.98(18) 1_554 .
O3 Li1 S1 C1 124.8(2) . .
O4 Li1 S1 C1 -25.24(18) . .
O1W Li1 S1 C1 -93.0(5) . .
O1W Li1 S1 C1 60.2(3) 2_675 .
O3W Li1 S1 C1 157.5(2) 1_554 .
Li1 Li1 S1 C1 26.1(10) 2_675 .
Li2 Li1 S1 C1 -168.22(17) 1_554 .
O3 Li1 O1W Li1 -153.7(10) . 2_675
O4 Li1 O1W Li1 95.3(3) . 2_675
O1W Li1 O1W Li1 0.0 2_675 2_675
O3W Li1 O1W Li1 -84.7(2) 1_554 2_675
S1 Li1 O1W Li1 156.6(6) . 2_675
Li2 Li1 O1W Li1 -122.2(2) 1_554 2_675
O3 S1 O2 Li2 -47.8(7) . 2_566
O1 S1 O2 Li2 77.3(7) . 2_566
C1 S1 O2 Li2 -165.4(6) . 2_566
Li1 S1 O2 Li2 -52.9(8) . 2_566
O2W Li2 O3W Li1 -3.4(3) . 1_556
O2 Li2 O3W Li1 -112.2(2) 2_566 1_556
O7 Li2 O3W Li1 135.7(3) . 1_556
C7 Li2 O3W Li1 111.3(2) . 1_556
O2 S1 O3 Li1 -175.7(2) . .
O1 S1 O3 Li1 58.8(3) . .
C1 S1 O3 Li1 -59.6(2) . .
O4 Li1 O3 S1 28.2(3) . .
O1W Li1 O3 S1 -82.8(9) . .
O1W Li1 O3 S1 124.5(2) 2_675 .
O3W Li1 O3 S1 -150.20(17) 1_554 .
Li1 Li1 O3 S1 138.3(7) 2_675 .
Li2 Li1 O3 S1 -113.44(19) 1_554 .
O3 Li1 O4 C2 23.7(4) . .
O1W Li1 O4 C2 -175.5(2) . .
O1W Li1 O4 C2 -82.0(3) 2_675 .
Li1 Li1 O4 C2 -128.7(3) 2_675 .
S1 Li1 O4 C2 36.2(3) . .
Li2 Li1 O4 C2 111.5(4) 1_554 .
O5W Li3 O4W Li3 120.7(4) . 2_686
O5 Li3 O4W Li3 -121.4(4) . 2_686
O4W Li3 O4W Li3 0.0 2_686 2_686
O5W Li3 O5 C4 177.8(3) . .
O4W Li3 O5 C4 55.4(5) . .
O4W Li3 O5 C4 -47.2(5) 2_686 .
Li3 Li3 O5 C4 6.8(7) 2_686 .
O2W Li2 O7 C7 69.6(4) . .
O2 Li2 O7 C7 -174.8(2) 2_566 .
O3W Li2 O7 C7 -64.2(3) . .
Li1 Li2 O7 C7 -11.8(5) 1_556 .
O2 S1 C1 C6 -7.5(3) . .
O3 S1 C1 C6 -127.9(2) . .
O1 S1 C1 C6 111.9(2) . .
Li1 S1 C1 C6 -159.5(2) . .
O2 S1 C1 C2 173.1(2) . .
O3 S1 C1 C2 52.7(2) . .
O1 S1 C1 C2 -67.5(2) . .
Li1 S1 C1 C2 21.0(2) . .
Li1 O4 C2 C3 144.3(3) . .
Li1 O4 C2 C1 -36.2(4) . .
C6 C1 C2 O4 178.8(2) . .
S1 C1 C2 O4 -1.8(4) . .
C6 C1 C2 C3 -1.7(4) . .
S1 C1 C2 C3 177.75(19) . .
O4 C2 C3 C4 -179.1(2) . .
C1 C2 C3 C4 1.4(4) . .
Li3 O5 C4 C3 4.9(5) . .
Li3 O5 C4 C5 -175.6(3) . .
C2 C3 C4 O5 180.0(2) . .
C2 C3 C4 C5 0.5(4) . .
O5 C4 C5 C6 178.4(2) . .
C3 C4 C5 C6 -2.1(4) . .
O5 C4 C5 C7 -3.0(4) . .
C3 C4 C5 C7 176.5(2) . .
C2 C1 C6 C5 0.1(4) . .
S1 C1 C6 C5 -179.4(2) . .
C4 C5 C6 C1 1.8(4) . .
C7 C5 C6 C1 -176.8(2) . .
Li2 O7 C7 O6 -2.2(4) . .
Li2 O7 C7 C5 176.4(2) . .
C6 C5 C7 O6 -177.4(2) . .
C4 C5 C7 O6 4.1(4) . .
C6 C5 C7 O7 4.0(4) . .
C4 C5 C7 O7 -174.6(2) . .
C6 C5 C7 Li2 12.6(9) . .
C4 C5 C7 Li2 -166.0(6) . .
O2W Li2 C7 O6 56.6(3) . .
O2 Li2 C7 O6 -175.3(4) 2_566 .
O3W Li2 C7 O6 -57.8(2) . .
O7 Li2 C7 O6 178.1(3) . .
Li1 Li2 C7 O6 -10.2(2) 1_556 .
O2W Li2 C7 O7 -121.5(4) . .
O2 Li2 C7 O7 6.7(3) 2_566 .
O3W Li2 C7 O7 124.1(3) . .
Li1 Li2 C7 O7 171.8(3) 1_556 .
O2W Li2 C7 C5 -132.4(7) . .
O2 Li2 C7 C5 -4.2(10) 2_566 .
O3W Li2 C7 C5 113.3(7) . .
O7 Li2 C7 C5 -10.9(7) . .
Li1 Li2 C7 C5 160.9(7) 1_556 .
