#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/82/1518230.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_1518230
loop_
_publ_author_name
'Seo, Daniel M.'
'Afroz, Taliman'
'Allen, Joshua L.'
'Boyle, Paul D.'
'Trulove, Paul C.'
'De Long, Hugh C.'
'Henderson, Wesley A.'
_publ_section_title
;
 Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates
 and Esters
;
_journal_issue                   45
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              25884
_journal_paper_doi               10.1021/jp5079168
_journal_volume                  118
_journal_year                    2014
_chemical_formula_sum            'C15 H18 F9 Li3 O15 S3'
_chemical_formula_weight         726.29
_chemical_name_common            (GBL)1:LiCF3SO3
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 122.5917(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4705(4)
_cell_length_b                   17.4648(7)
_cell_length_c                   19.0370(7)
_cell_measurement_reflns_used    9930
_cell_measurement_temperature    110
_cell_measurement_theta_max      26.56
_cell_measurement_theta_min      2.27
_cell_volume                     2933.0(2)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  XL
_computing_structure_solution    XS
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker-Nonius Kappa Axis X8 Apex2'
_diffrn_measurement_method       'omega and phi scans'
_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  0.0662
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            69826
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.373
_exptl_absorpt_correction_T_max  0.9779
_exptl_absorpt_correction_T_min  0.8539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     420
_refine_ls_number_reflns         6787
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0916
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0773P)²+3.2708P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1406
_refine_ls_wR_factor_ref         0.1628
_reflns_number_gt                4726
_reflns_number_total             6787
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jp5079168_si_002.cif
_cod_data_source_block           (GBL)1:LiCF3SO3
_cod_depositor_comments
'Adding full bibliography for 1518222--1518230.cif.'
_cod_original_cell_volume        2933.02(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1518230
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Li1 Li 0.2051(7) 0.5849(3) 1.2744(4) 0.0321(14) Uani 1 1 d . . .
Li2 Li -0.1636(7) 0.5852(3) 0.9115(4) 0.0287(13) Uani 1 1 d . . .
Li3 Li 0.5202(7) 0.4080(3) 1.4233(4) 0.0318(13) Uani 1 1 d . . .
S1 S -0.06588(9) 0.53913(4) 1.09426(5) 0.02130(19) Uani 1 1 d . . .
O1 O 0.0145(3) 0.58303(15) 1.16997(15) 0.0327(6) Uani 1 1 d . . .
O2 O -0.1323(3) 0.58532(14) 1.02056(15) 0.0323(6) Uani 1 1 d . . .
O3 O 0.0111(3) 0.47165(13) 1.09268(17) 0.0320(6) Uani 1 1 d . . .
C1 C -0.2278(4) 0.5005(2) 1.0933(3) 0.0354(9) Uani 1 1 d . . .
F1 F -0.3088(3) 0.55642(14) 1.09817(16) 0.0461(6) Uani 1 1 d . . .
F2 F -0.3163(3) 0.46199(16) 1.02401(19) 0.0642(8) Uani 1 1 d . . .
F3 F -0.1831(3) 0.45436(15) 1.15736(19) 0.0619(8) Uani 1 1 d . . .
S2 S 0.43529(10) 0.48107(6) 1.25204(6) 0.0330(2) Uani 1 1 d . . .
O4 O 0.3579(3) 0.4552(2) 1.16746(18) 0.0548(9) Uani 1 1 d . . .
O5 O 0.4848(4) 0.42145(17) 1.31282(18) 0.0455(7) Uani 1 1 d . . .
O6 O 0.3660(3) 0.54560(17) 1.26547(19) 0.0435(7) Uani 1 1 d . . .
C2 C 0.6097(5) 0.5214(3) 1.2678(3) 0.0474(11) Uani 1 1 d . . .
F4 F 0.6870(3) 0.4685(2) 1.25698(19) 0.0745(10) Uani 1 1 d . . .
F5 F 0.5773(3) 0.5774(2) 1.2140(2) 0.0888(12) Uani 1 1 d . . .
F6 F 0.6946(3) 0.54945(17) 1.34385(16) 0.0554(7) Uani 1 1 d . . .
S3 S 0.25322(10) 0.48288(5) 1.42661(6) 0.0274(2) Uani 1 1 d . . .
O7 O 0.3412(3) 0.42069(16) 1.4256(2) 0.0447(7) Uani 1 1 d . . .
O8 O 0.1838(4) 0.5290(2) 1.3539(2) 0.0589(9) Uani 1 1 d . . .
O9 O 0.3228(4) 0.5234(2) 1.5036(2) 0.0583(9) Uani 1 1 d . . .
C3 C 0.0927(4) 0.4351(2) 1.4213(2) 0.0377(9) Uani 1 1 d . . .
F7 F 0.0008(3) 0.48570(17) 1.42209(18) 0.0582(7) Uani 1 1 d . . .
F8 F 0.0155(3) 0.39440(18) 1.35201(17) 0.0647(8) Uani 1 1 d . . .
F9 F 0.1391(3) 0.38809(16) 1.48460(17) 0.0596(7) Uani 1 1 d . . .
O10 O 0.2508(3) 0.68898(16) 1.30909(19) 0.0463(8) Uani 1 1 d . . .
C4 C 0.3635(5) 0.7255(2) 1.3562(3) 0.0365(9) Uani 1 1 d . . .
O11 O 0.3533(3) 0.79352(17) 1.3830(2) 0.0594(10) Uani 1 1 d . . .
C5 C 0.5035(5) 0.8266(3) 1.4386(3) 0.0563(13) Uani 1 1 d . . .
H5A H 0.5115 0.8489 1.4886 0.068 Uiso 1 1 calc R . .
H5B H 0.5241 0.8672 1.4097 0.068 Uiso 1 1 calc R . .
C6 C 0.6135(5) 0.7611(2) 1.4626(3) 0.0427(10) Uani 1 1 d . . .
H6A H 0.7062 0.7779 1.4651 0.051 Uiso 1 1 calc R . .
H6B H 0.6423 0.7393 1.5172 0.051 Uiso 1 1 calc R . .
C7 C 0.5255(5) 0.7041(2) 1.3935(3) 0.0448(10) Uani 1 1 d . . .
H7A H 0.5535 0.7077 1.3515 0.054 Uiso 1 1 calc R . .
H7B H 0.5448 0.6513 1.4158 0.054 Uiso 1 1 calc R . .
O12 O -0.1485(4) 0.68877(15) 0.88677(19) 0.0453(8) Uani 1 1 d . A .
C8 C -0.1354(5) 0.7232(2) 0.8359(3) 0.0357(9) Uani 1 1 d . . .
O13 O -0.1222(7) 0.8004(2) 0.8421(3) 0.0472(12) Uani 0.838(9) 1 d P A 1
C9 C -0.0960(7) 0.8289(3) 0.7779(4) 0.0467(15) Uani 0.838(9) 1 d P A 1
H9A H 0.0119 0.8425 0.8030 0.056 Uiso 0.838(9) 1 calc PR A 1
H9B H -0.1590 0.8747 0.7497 0.056 Uiso 0.838(9) 1 calc PR A 1
C10 C -0.1422(7) 0.7619(3) 0.7160(3) 0.0651(16) Uani 0.838(9) 1 d P A 1
H10A H -0.2508 0.7645 0.6710 0.078 Uiso 0.838(9) 1 calc PR A 1
H10B H -0.0802 0.7606 0.6911 0.078 Uiso 0.838(9) 1 calc PR A 1
O13' O -0.220(4) 0.7833(12) 0.7930(19) 0.055(8) Uani 0.162(9) 1 d P A 2
C9' C -0.208(4) 0.8069(16) 0.723(2) 0.0467(15) Uani 0.162(9) 1 d P A 2
H9'1 H -0.3103 0.8114 0.6711 0.056 Uiso 0.162(9) 1 calc PR A 2
H9'2 H -0.1563 0.8570 0.7342 0.056 Uiso 0.162(9) 1 calc PR A 2
C10' C -0.1422(7) 0.7619(3) 0.7160(3) 0.0651(16) Uani 0.162(9) 1 d P A 2
H10C H -0.0449 0.7839 0.7286 0.078 Uiso 0.162(9) 1 calc PR A 2
H10D H -0.1985 0.7441 0.6574 0.078 Uiso 0.162(9) 1 calc PR A 2
C11 C -0.1097(7) 0.6944(3) 0.7718(3) 0.0600(14) Uani 1 1 d . A .
H11A H -0.1790 0.6514 0.7404 0.072 Uiso 1 1 calc R B 1
H11B H -0.0037 0.6769 0.7972 0.072 Uiso 1 1 calc R B 1
O14 O 0.5703(3) 0.30213(15) 1.44239(19) 0.0439(7) Uani 1 1 d . . .
C12 C 0.6646(4) 0.2683(2) 1.4358(2) 0.0333(8) Uani 1 1 d . . .
O15 O 0.6582(3) 0.19275(15) 1.4274(2) 0.0474(8) Uani 1 1 d . . .
C13 C 0.7855(5) 0.1648(2) 1.4239(3) 0.0460(11) Uani 1 1 d . . .
H13A H 0.7510 0.1269 1.3785 0.055 Uiso 1 1 calc R . .
H13B H 0.8622 0.1404 1.4773 0.055 Uiso 1 1 calc R . .
C14 C 0.8511(5) 0.2348(2) 1.4074(3) 0.0477(11) Uani 1 1 d . . .
H14A H 0.9631 0.2323 1.4388 0.057 Uiso 1 1 calc R . .
H14B H 0.8111 0.2403 1.3472 0.057 Uiso 1 1 calc R . .
C15 C 0.7984(5) 0.2992(2) 1.4381(3) 0.0497(11) Uani 1 1 d . . .
H15A H 0.8786 0.3140 1.4955 0.060 Uiso 1 1 calc R . .
H15B H 0.7703 0.3445 1.4013 0.060 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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
O10 Li1 O6 107.7(3) . .
O10 Li1 O8 109.1(3) . .
O6 Li1 O8 111.8(3) . .
O10 Li1 O1 107.6(3) . .
O6 Li1 O1 112.2(3) . .
O8 Li1 O1 108.2(3) . .
O12 Li2 O4 110.8(3) . 3_567
O12 Li2 O2 106.2(3) . .
O4 Li2 O2 110.1(3) 3_567 .
O12 Li2 O3 107.5(3) . 3_567
O4 Li2 O3 109.6(3) 3_567 3_567
O2 Li2 O3 112.6(3) . 3_567
O9 Li3 O14 115.6(4) 3_668 .
O9 Li3 O7 112.4(3) 3_668 .
O14 Li3 O7 106.3(3) . .
O9 Li3 O5 107.6(3) 3_668 .
O14 Li3 O5 101.4(3) . .
O7 Li3 O5 113.2(3) . .
O2 S1 O3 115.05(15) . .
O2 S1 O1 113.26(15) . .
O3 S1 O1 115.24(16) . .
O2 S1 C1 103.96(18) . .
O3 S1 C1 103.04(16) . .
O1 S1 C1 104.34(17) . .
S1 O1 Li1 140.4(3) . .
S1 O2 Li2 140.3(2) . .
S1 O3 Li2 156.1(2) . 3_567
F2 C1 F3 108.8(3) . .
F2 C1 F1 108.3(3) . .
F3 C1 F1 107.8(3) . .
F2 C1 S1 110.4(3) . .
F3 C1 S1 110.7(3) . .
F1 C1 S1 110.7(2) . .
O5 S2 O4 114.8(2) . .
O5 S2 O6 115.18(18) . .
O4 S2 O6 114.45(19) . .
O5 S2 C2 104.7(2) . .
O4 S2 C2 102.47(19) . .
O6 S2 C2 103.0(2) . .
S2 O4 Li2 136.4(3) . 3_567
S2 O5 Li3 137.6(3) . .
S2 O6 Li1 148.5(3) . .
F4 C2 F6 109.0(3) . .
F4 C2 F5 108.8(4) . .
F6 C2 F5 108.4(4) . .
F4 C2 S2 110.4(3) . .
F6 C2 S2 110.2(3) . .
F5 C2 S2 110.0(3) . .
O8 S3 O9 115.6(2) . .
O8 S3 O7 114.39(19) . .
O9 S3 O7 114.5(2) . .
O8 S3 C3 103.4(2) . .
O9 S3 C3 103.22(18) . .
O7 S3 C3 103.42(18) . .
S3 O7 Li3 137.3(3) . .
S3 O8 Li1 147.8(3) . .
S3 O9 Li3 145.9(3) . 3_668
F7 C3 F9 108.7(3) . .
F7 C3 F8 108.4(3) . .
F9 C3 F8 107.6(4) . .
F7 C3 S3 110.5(3) . .
F9 C3 S3 111.0(3) . .
F8 C3 S3 110.5(3) . .
C4 O10 Li1 136.2(3) . .
O10 C4 O11 120.7(4) . .
O10 C4 C7 128.8(4) . .
O11 C4 C7 110.5(3) . .
C4 O11 C5 110.8(3) . .
O11 C5 C6 105.6(3) . .
O11 C5 H5A 110.6 . .
C6 C5 H5A 110.6 . .
O11 C5 H5B 110.6 . .
C6 C5 H5B 110.6 . .
H5A C5 H5B 108.8 . .
C7 C6 C5 103.2(4) . .
C7 C6 H6A 111.1 . .
C5 C6 H6A 111.1 . .
C7 C6 H6B 111.1 . .
C5 C6 H6B 111.1 . .
H6A C6 H6B 109.1 . .
C4 C7 C6 104.8(3) . .
C4 C7 H7A 110.8 . .
C6 C7 H7A 110.8 . .
C4 C7 H7B 110.8 . .
C6 C7 H7B 110.8 . .
H7A C7 H7B 108.9 . .
C8 O12 Li2 137.2(3) . .
O12 C8 O13' 124.1(10) . .
O12 C8 O13 118.4(4) . .
O13' C8 O13 43.2(15) . .
O12 C8 C11 130.1(4) . .
O13' C8 C11 96.7(10) . .
O13 C8 C11 110.8(4) . .
C8 O13 C9 108.7(4) . .
O13 C9 C10 104.7(4) . .
O13 C9 H9A 110.8 . .
C10 C9 H9A 110.8 . .
O13 C9 H9B 110.8 . .
C10 C9 H9B 110.8 . .
H9A C9 H9B 108.9 . .
C11 C10 C9 101.4(4) . .
C11 C10 H10A 111.5 . .
C9 C10 H10A 111.5 . .
C11 C10 H10B 111.5 . .
C9 C10 H10B 111.5 . .
H10A C10 H10B 109.3 . .
C8 O13' C9' 115.4(18) . .
O13' C9' H9'1 110.6 . .
O13' C9' H9'2 110.6 . .
H9'1 C9' H9'2 108.8 . .
C8 C11 C10 104.2(4) . .
C8 C11 H11A 110.9 . .
C10 C11 H11A 110.9 . .
C8 C11 H11B 110.9 . .
C10 C11 H11B 110.9 . .
H11A C11 H11B 108.9 . .
C12 O14 Li3 127.5(3) . .
O14 C12 O15 120.3(4) . .
O14 C12 C15 129.1(4) . .
O15 C12 C15 110.6(3) . .
C12 O15 C13 110.5(3) . .
O15 C13 C14 105.5(3) . .
O15 C13 H13A 110.6 . .
C14 C13 H13A 110.6 . .
O15 C13 H13B 110.6 . .
C14 C13 H13B 110.6 . .
H13A C13 H13B 108.8 . .
C15 C14 C13 102.8(3) . .
C15 C14 H14A 111.2 . .
C13 C14 H14A 111.2 . .
C15 C14 H14B 111.2 . .
C13 C14 H14B 111.2 . .
H14A C14 H14B 109.1 . .
C12 C15 C14 104.9(3) . .
C12 C15 H15A 110.8 . .
C14 C15 H15A 110.8 . .
C12 C15 H15B 110.8 . .
C14 C15 H15B 110.8 . .
H15A C15 H15B 108.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O10 1.905(7) .
Li1 O6 1.910(7) .
Li1 O8 1.912(7) .
Li1 O1 1.914(7) .
Li2 O12 1.897(6) .
Li2 O4 1.899(7) 3_567
Li2 O2 1.919(6) .
Li2 O3 1.919(6) 3_567
Li3 O9 1.901(7) 3_668
Li3 O14 1.902(6) .
Li3 O7 1.912(6) .
Li3 O5 1.943(7) .
S1 O2 1.432(3) .
S1 O3 1.437(2) .
S1 O1 1.438(3) .
S1 C1 1.816(4) .
O3 Li2 1.919(6) 3_567
C1 F2 1.316(5) .
C1 F3 1.319(5) .
C1 F1 1.329(4) .
S2 O5 1.430(3) .
S2 O4 1.431(3) .
S2 O6 1.436(3) .
S2 C2 1.826(4) .
O4 Li2 1.899(7) 3_567
C2 F4 1.314(5) .
C2 F6 1.320(5) .
C2 F5 1.321(5) .
S3 O8 1.417(3) .
S3 O9 1.424(3) .
S3 O7 1.431(3) .
S3 C3 1.829(4) .
O9 Li3 1.901(7) 3_668
C3 F7 1.312(5) .
C3 F9 1.316(5) .
C3 F8 1.323(5) .
O10 C4 1.210(5) .
C4 O11 1.321(5) .
C4 C7 1.490(6) .
O11 C5 1.461(5) .
C5 C6 1.508(6) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.505(6) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
O12 C8 1.208(5) .
C8 O13' 1.33(2) .
C8 O13 1.354(6) .
C8 C11 1.473(6) .
O13 C9 1.475(6) .
C9 C10 1.543(8) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.497(7) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
O13' C9' 1.47(3) .
C9' H9'1 0.9900 .
C9' H9'2 0.9900 .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
O14 C12 1.214(5) .
C12 O15 1.327(4) .
C12 C15 1.479(6) .
O15 C13 1.455(5) .
C13 C14 1.515(6) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.502(6) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
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
O2 S1 O1 Li1 -131.5(4) . .
O3 S1 O1 Li1 3.9(4) . .
C1 S1 O1 Li1 116.1(4) . .
O10 Li1 O1 S1 149.8(3) . .
O6 Li1 O1 S1 31.4(6) . .
O8 Li1 O1 S1 -92.4(5) . .
O3 S1 O2 Li2 4.2(4) . .
O1 S1 O2 Li2 139.7(4) . .
C1 S1 O2 Li2 -107.7(4) . .
O12 Li2 O2 S1 -145.2(3) . .
O4 Li2 O2 S1 94.8(4) 3_567 .
O3 Li2 O2 S1 -27.8(6) 3_567 .
O2 S1 O3 Li2 64.1(7) . 3_567
O1 S1 O3 Li2 -70.5(7) . 3_567
C1 S1 O3 Li2 176.5(6) . 3_567
O2 S1 C1 F2 57.7(3) . .
O3 S1 C1 F2 -62.7(3) . .
O1 S1 C1 F2 176.6(3) . .
O2 S1 C1 F3 178.2(3) . .
O3 S1 C1 F3 57.9(3) . .
O1 S1 C1 F3 -62.8(3) . .
O2 S1 C1 F1 -62.3(3) . .
O3 S1 C1 F1 177.3(3) . .
O1 S1 C1 F1 56.6(3) . .
O5 S2 O4 Li2 74.5(4) . 3_567
O6 S2 O4 Li2 -61.9(5) . 3_567
C2 S2 O4 Li2 -172.6(4) . 3_567
O4 S2 O5 Li3 -150.4(4) . .
O6 S2 O5 Li3 -14.3(5) . .
C2 S2 O5 Li3 98.1(4) . .
O9 Li3 O5 S2 -62.6(5) 3_668 .
O14 Li3 O5 S2 175.7(3) . .
O7 Li3 O5 S2 62.2(5) . .
O5 S2 O6 Li1 -62.3(6) . .
O4 S2 O6 Li1 74.0(6) . .
C2 S2 O6 Li1 -175.6(5) . .
O10 Li1 O6 S2 173.0(4) . .
O8 Li1 O6 S2 53.1(7) . .
O1 Li1 O6 S2 -68.7(6) . .
O5 S2 C2 F4 59.6(3) . .
O4 S2 C2 F4 -60.6(3) . .
O6 S2 C2 F4 -179.6(3) . .
O5 S2 C2 F6 -60.9(4) . .
O4 S2 C2 F6 179.0(3) . .
O6 S2 C2 F6 59.9(3) . .
O5 S2 C2 F5 179.6(3) . .
O4 S2 C2 F5 59.5(4) . .
O6 S2 C2 F5 -59.6(4) . .
O8 S3 O7 Li3 64.4(5) . .
O9 S3 O7 Li3 -72.3(5) . .
C3 S3 O7 Li3 176.1(4) . .
O9 Li3 O7 S3 42.8(6) 3_668 .
O14 Li3 O7 S3 170.3(3) . .
O5 Li3 O7 S3 -79.3(5) . .
O9 S3 O8 Li1 87.8(6) . .
O7 S3 O8 Li1 -48.4(7) . .
C3 S3 O8 Li1 -160.1(6) . .
O10 Li1 O8 S3 -92.9(6) . .
O6 Li1 O8 S3 26.2(8) . .
O1 Li1 O8 S3 150.3(5) . .
O8 S3 O9 Li3 -64.9(6) . 3_668
O7 S3 O9 Li3 71.3(6) . 3_668
C3 S3 O9 Li3 -177.1(5) . 3_668
O8 S3 C3 F7 -60.7(3) . .
O9 S3 C3 F7 60.1(3) . .
O7 S3 C3 F7 179.7(3) . .
O8 S3 C3 F9 178.6(3) . .
O9 S3 C3 F9 -60.6(3) . .
O7 S3 C3 F9 59.0(3) . .
O8 S3 C3 F8 59.2(3) . .
O9 S3 C3 F8 -179.9(3) . .
O7 S3 C3 F8 -60.3(3) . .
O6 Li1 O10 C4 -37.8(6) . .
O8 Li1 O10 C4 83.8(6) . .
O1 Li1 O10 C4 -159.0(4) . .
Li1 O10 C4 O11 -162.2(4) . .
Li1 O10 C4 C7 16.1(8) . .
O10 C4 O11 C5 -179.7(4) . .
C7 C4 O11 C5 1.6(5) . .
C4 O11 C5 C6 -15.4(6) . .
O11 C5 C6 C7 22.0(5) . .
O10 C4 C7 C6 -165.8(5) . .
O11 C4 C7 C6 12.8(5) . .
C5 C6 C7 C4 -20.9(5) . .
O4 Li2 O12 C8 -74.0(6) 3_567 .
O2 Li2 O12 C8 166.5(4) . .
O3 Li2 O12 C8 45.7(6) 3_567 .
Li2 O12 C8 O13' 132(2) . .
Li2 O12 C8 O13 -177.3(5) . .
Li2 O12 C8 C11 -7.0(9) . .
O12 C8 O13 C9 175.7(4) . .
O13' C8 O13 C9 -73.6(13) . .
C11 C8 O13 C9 3.6(6) . .
C8 O13 C9 C10 16.3(6) . .
O13 C9 C10 C11 -28.8(6) . .
O12 C8 O13' C9' -168(2) . .
O13 C8 O13' C9' 95(3) . .
C11 C8 O13' C9' -18(3) . .
O12 C8 C11 C10 166.5(5) . .
O13' C8 C11 C10 19.6(16) . .
O13 C8 C11 C10 -22.6(6) . .
C9 C10 C11 C8 30.5(6) . .
O9 Li3 O14 C12 -64.2(6) 3_668 .
O7 Li3 O14 C12 170.3(4) . .
O5 Li3 O14 C12 51.8(5) . .
Li3 O14 C12 O15 -160.4(4) . .
Li3 O14 C12 C15 21.6(7) . .
O14 C12 O15 C13 -177.9(4) . .
C15 C12 O15 C13 0.5(5) . .
C12 O15 C13 C14 -15.2(5) . .
O15 C13 C14 C15 22.8(5) . .
O14 C12 C15 C14 -167.3(4) . .
O15 C12 C15 C14 14.5(5) . .
C13 C14 C15 C12 -22.3(5) . .
