#------------------------------------------------------------------------------
#$Date: 2019-11-07 05:54:09 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223439 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/49/7234976.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_7234976
loop_
_publ_author_name
'Kondou, Shinji'
'Thomas, Morgan L.'
'Mandai, Toshihiko'
'Ueno, Kazuhide'
'Dokko, Kaoru'
'Watanabe, Masayoshi'
_publ_section_title
;
 Ionic transport in highly concentrated lithium bis(fluorosulfonyl)amide
 electrolytes with keto ester solvents: structural implications for ion
 hopping conduction in liquid electrolytes.
;
_journal_issue                   9
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              5097
_journal_page_last               5105
_journal_paper_doi               10.1039/c9cp00425d
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         'C9 H8 F12 Li2 N2 O11 S4'
_chemical_formula_sum            'C9 H8 F12 Li2 N2 O11 S4'
_chemical_formula_weight         690.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_Int_Tables_number      14
_atom_sites_solution_primary     dual
_audit_creation_date             2019-01-10
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-01-23 deposited with the CCDC.
2019-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.679(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.1850(5)
_cell_length_b                   10.4660(5)
_cell_length_c                   20.4745(9)
_cell_measurement_reflns_used    6359
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      28.3740
_cell_measurement_theta_min      3.2990
_cell_volume                     2396.62(19)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      223
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.9609
_diffrn_measured_fraction_theta_max 0.8245
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -46.00 -19.00   0.50   29.20    --    5.10 -54.00  -0.00   54
  2  ω     10.00  35.00   0.50   29.20    --    5.10  54.00 143.00   50
  3  ω     52.00  84.00   0.50   29.20    --    5.10  57.00-150.00   64
  4  ω    -23.00  79.00   0.50   29.20    --    5.10  57.00   0.00  204
  5  ω     41.00  66.00   0.50   29.20    --    5.10  57.00 -60.00   50
  6  ω    -24.00  40.00   0.50   29.20    --    5.10  57.00-150.00  128
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual offset/far'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0528303000
_diffrn_orient_matrix_UB_12      -0.0147677000
_diffrn_orient_matrix_UB_13      -0.0179573000
_diffrn_orient_matrix_UB_21      -0.0180948000
_diffrn_orient_matrix_UB_22      -0.0417433000
_diffrn_orient_matrix_UB_23      0.0252978000
_diffrn_orient_matrix_UB_31      -0.0300421000
_diffrn_orient_matrix_UB_32      0.0513115000
_diffrn_orient_matrix_UB_33      0.0154295000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_unetI/netI     0.0375
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            16128
_diffrn_reflns_theta_full        28.2584
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         3.31
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.543
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73964
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.9130
_exptl_crystal_description       needle
_exptl_crystal_F_000             1371.3974
_refine_diff_density_max         1.6341
_refine_diff_density_min         -0.6371
_refine_diff_density_rms         0.1228
_refine_ls_d_res_high            0.7506
_refine_ls_d_res_low             6.1476
_refine_ls_goodness_of_fit_ref   1.0606
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    11
_refine_ls_number_parameters     366
_refine_ls_number_reflns         4885
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0606
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0621
_refine_ls_shift/su_max          0.0008
_refine_ls_shift/su_mean         0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0959P)²+5.8016P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1710
_refine_ls_wR_factor_ref         0.1837
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -14
_reflns_limit_k_max              13
_reflns_limit_k_min              0
_reflns_limit_l_max              26
_reflns_limit_l_min              -11
_reflns_number_gt                3878
_reflns_number_total             4885
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c9cp00425d2.cif
_cod_data_source_block           exp_453
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               7234976
_chemical_oxdiff_formula         'Li N S O F C'
_chemical_oxdiff_usercomment     LiTFSA_MA_1_0,5
_reflns_odcompleteness_completeness 96.09
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.20
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
3.a Secondary CH2 refined with riding coordinates:
 C33(H33a,H33b)
3.b Idealised Me refined as rotating group:
 C37(H37a,H37b,H37c), C36(H36a,H36b,H36c)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.277
_oxdiff_exptl_absorpt_empirical_full_min 0.819
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 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_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
S5 S 0.68255(8) 0.75813(9) 0.51047(4) 0.0250(2) Uani 1.000000 1 . . .
S20 S 0.37653(9) 0.73960(9) 0.42066(5) 0.0273(2) Uani 1.000000 1 . . .
S3 S 0.72413(9) 0.91623(9) 0.40277(4) 0.0263(2) Uani 1.000000 1 . . .
S18 S 0.52056(9) 0.58644(9) 0.34084(5) 0.0293(3) Uani 1.000000 1 . . .
F8 F 0.7812(3) 0.7111(4) 0.62311(14) 0.0676(10) Uani 1.000000 1 . . .
F1 F 0.9569(3) 0.9260(3) 0.40319(18) 0.0654(9) Uani 1.000000 1 . . .
F14 F 0.8750(3) 1.0443(3) 0.47506(15) 0.0676(9) Uani 1.000000 1 . . .
F15 F 0.8703(3) 1.0985(3) 0.37440(17) 0.0643(9) Uani 1.000000 1 . . .
F16 F 0.3305(3) 0.4701(4) 0.29383(18) 0.0739(10) Uani 1.000000 1 . . .
O31 O 0.8778(3) 0.6464(3) 0.25807(17) 0.0481(8) Uani 1.000000 1 . . .
F29 F 0.4930(3) 0.4243(3) 0.24643(16) 0.0679(9) Uani 1.000000 1 . . .
F23 F 0.1476(3) 0.7607(4) 0.43698(17) 0.0718(10) Uani 1.000000 1 . . .
N19 N 0.4522(3) 0.7140(3) 0.35777(16) 0.0320(7) Uani 1.000000 1 . . .
N4 N 0.7404(3) 0.7895(3) 0.44287(15) 0.0294(7) Uani 1.000000 1 . . .
F30 F 0.4103(4) 0.6046(4) 0.22866(16) 0.0833(12) Uani 1.000000 1 . . .
O35 O 0.9177(4) 0.4630(4) 0.37292(18) 0.0645(11) Uani 1.000000 1 . . .
F7 F 0.8506(4) 0.8743(4) 0.5763(2) 0.1032(17) Uani 1.000000 1 . . .
F9 F 0.8979(4) 0.6895(6) 0.5434(2) 0.1144(19) Uani 1.000000 1 . . .
F22 F 0.1963(3) 0.6142(5) 0.3721(3) 0.119(2) Uani 1.000000 1 . . .
F24 F 0.2060(4) 0.8081(7) 0.3418(2) 0.132(2) Uani 1.000000 1 . . .
C2 C 0.8651(4) 1.0014(4) 0.4149(2) 0.0395(10) Uani 1.000000 1 . . .
C17 C 0.4329(5) 0.5173(5) 0.2732(2) 0.0462(11) Uani 1.000000 1 . . .
C33 C 0.9967(5) 0.4589(6) 0.2678(2) 0.0602(16) Uani 1.000000 1 . . .
H33a H 1.0735(5) 0.4648(6) 0.2902(2) 0.0722(19) Uiso 1.000000 1 R . .
H33b H 1.0049(5) 0.3985(6) 0.2321(2) 0.0722(19) Uiso 1.000000 1 R . .
C6 C 0.8117(4) 0.7570(5) 0.5663(2) 0.0474(12) Uani 1.000000 1 . . .
C21 C 0.2226(5) 0.7311(6) 0.3906(3) 0.0565(14) Uani 1.000000 1 . . .
C34 C 0.9021(5) 0.4084(5) 0.3159(2) 0.0477(12) Uani 1.000000 1 . . .
C32 C 0.9654(5) 0.5828(5) 0.2415(3) 0.0507(12) Uani 1.000000 1 . . .
C37 C 1.0505(6) 0.6287(7) 0.1914(3) 0.0715(19) Uani 1.000000 1 . . .
H37a H 1.0159(19) 0.700(3) 0.1683(17) 0.107(3) Uiso 1.000000 1 GR . .
H37b H 1.1236(18) 0.655(5) 0.2124(4) 0.107(3) Uiso 1.000000 1 GR . .
H37c H 1.067(4) 0.5609(16) 0.1612(15) 0.107(3) Uiso 1.000000 1 GR . .
C36 C 0.8284(7) 0.4224(7) 0.4231(3) 0.078(2) Uani 1.000000 1 . . .
H36a H 0.7544(17) 0.467(4) 0.4157(17) 0.117(3) Uiso 1.000000 1 GR . .
H36b H 0.815(4) 0.3320(12) 0.4198(18) 0.117(3) Uiso 1.000000 1 GR . .
H36c H 0.859(2) 0.442(5) 0.4660(3) 0.117(3) Uiso 1.000000 1 GR . .
Li39 Li 0.7350(7) 0.7460(7) 0.2717(4) 0.0381(16) Uani 1.000000 1 . . .
Li40 Li 0.5 1.0 0.5 0.036(2) Uani 1.000000 2 S T P
Li41 Li 0.5 0.5 0.5 0.038(2) Uani 1.000000 2 S T P
O11 O 0.6035(3) 0.8518(3) 0.53648(13) 0.0364(7) Uani 1.000000 1 . . .
O12 O 0.6335(3) 1.0028(3) 0.42452(14) 0.0384(7) Uani 1.000000 1 . . .
O38 O 0.8233(3) 0.3379(3) 0.30329(15) 0.0448(8) Uani 1.000000 1 . . .
O27 O 0.5245(3) 0.4907(3) 0.39045(14) 0.0402(7) Uani 1.000000 1 . . .
O10 O 0.6439(3) 0.6283(3) 0.51016(15) 0.0405(7) Uani 1.000000 1 . . .
O26 O 0.3830(3) 0.6447(3) 0.47063(14) 0.0390(7) Uani 1.000000 1 . . .
O13 O 0.7260(3) 0.8863(3) 0.33482(13) 0.0421(8) Uani 1.000000 1 . . .
O28 O 0.6299(3) 0.6180(3) 0.30929(17) 0.0470(8) Uani 1.000000 1 . . .
O25 O 0.3913(3) 0.8695(3) 0.43884(16) 0.0452(8) Uani 1.000000 1 . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
F 0.01794 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
S 0.12424 0.12443 6.90530 5.20340 1.43790 1.58630 1.46790 22.21510 0.25360
56.17200 0.866900026798
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Li -0.00003 0.00005 1.12820 0.75080 0.61750 0.46530 3.95460 1.05240 85.39050
168.26100 0.0377000011504
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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
C6 S5 N4 102.8(2) . .
O11 S5 N4 116.65(17) . .
O11 S5 C6 105.0(2) . .
O10 S5 N4 108.90(18) . .
O10 S5 C6 103.5(2) . .
O10 S5 O11 117.83(19) . .
C21 S20 N19 103.3(2) . .
O26 S20 N19 116.44(18) . .
O26 S20 C21 104.3(3) . .
O25 S20 N19 108.45(19) . .
O25 S20 C21 104.0(2) . .
O25 S20 O26 118.3(2) . .
C2 S3 N4 104.3(2) . .
O12 S3 N4 116.69(17) . .
O12 S3 C2 105.2(2) . .
O13 S3 N4 108.78(18) . .
O13 S3 C2 102.5(2) . .
O13 S3 O12 117.41(19) . .
C17 S18 N19 104.1(2) . .
O27 S18 N19 116.63(18) . .
O27 S18 C17 105.8(2) . .
O28 S18 N19 108.86(19) . .
O28 S18 C17 101.7(2) . .
O28 S18 O27 117.7(2) . .
Li39 O31 C32 172.3(4) . .
S18 N19 S20 126.2(2) . .
S3 N4 S5 126.3(2) . .
C36 O35 C34 113.8(5) . .
F1 C2 S3 110.9(3) . .
F14 C2 S3 110.9(3) . .
F14 C2 F1 108.5(4) . .
F15 C2 S3 109.7(3) . .
F15 C2 F1 108.0(4) . .
F15 C2 F14 108.9(4) . .
F16 C17 S18 111.4(3) . .
F29 C17 S18 109.7(4) . .
F29 C17 F16 107.9(4) . .
F30 C17 S18 110.3(4) . .
F30 C17 F16 108.7(5) . .
F30 C17 F29 108.8(4) . .
H33b C33 H33a 107.9 . .
C34 C33 H33a 109.2(3) . .
C34 C33 H33b 109.2(3) . .
C32 C33 H33a 109.2(3) . .
C32 C33 H33b 109.2(3) . .
C32 C33 C34 112.3(4) . .
F8 C6 S5 110.2(3) . .
F7 C6 S5 110.4(4) . .
F7 C6 F8 107.0(5) . .
F9 C6 S5 111.4(4) . .
F9 C6 F8 109.0(5) . .
F9 C6 F7 108.7(5) . .
F23 C21 S20 110.7(4) . .
F22 C21 S20 110.5(4) . .
F22 C21 F23 106.6(5) . .
F24 C21 S20 110.9(5) . .
F24 C21 F23 109.0(5) . .
F24 C21 F22 109.1(5) . .
C33 C34 O35 109.5(5) . .
O38 C34 O35 124.2(5) . .
O38 C34 C33 126.2(5) . .
C33 C32 O31 124.8(5) . .
C37 C32 O31 122.1(5) . .
C37 C32 C33 113.1(5) . .
H37a C37 C32 109.5 . .
H37b C37 C32 109.5 . .
H37b C37 H37a 109.5 . .
H37c C37 C32 109.5 . .
H37c C37 H37a 109.5 . .
H37c C37 H37b 109.5 . .
H36a C36 O35 109.5 . .
H36b C36 O35 109.5 . .
H36b C36 H36a 109.5 . .
H36c C36 O35 109.5 . .
H36c C36 H36a 109.5 . .
H36c C36 H36b 109.5 . .
O38 Li39 O31 115.4(4) 2_655 .
O13 Li39 O31 123.3(4) . .
O13 Li39 O38 97.6(4) . 2_655
O28 Li39 O31 101.0(4) . .
O28 Li39 O38 117.4(4) . 2_655
O28 Li39 O13 102.6(4) . .
O11 Li40 O11 180.0 3_676 .
O12 Li40 O11 83.11(11) 3_676 3_676
O12 Li40 O11 83.11(11) . .
O12 Li40 O11 96.89(11) 3_676 .
O12 Li40 O11 96.89(11) . 3_676
O12 Li40 O12 180.0 3_676 .
O25 Li40 O11 87.53(12) . 3_676
O25 Li40 O11 92.47(12) . .
O25 Li40 O11 92.47(12) 3_676 3_676
O25 Li40 O11 87.53(12) 3_676 .
O25 Li40 O12 90.95(12) . 3_676
O25 Li40 O12 89.05(12) 3_676 3_676
O25 Li40 O12 90.95(12) 3_676 .
O25 Li40 O12 89.05(12) . .
O25 Li40 O25 180.0 . 3_676
O27 Li41 O27 180.0 3_666 .
O10 Li41 O27 91.37(12) . .
O10 Li41 O27 88.63(12) 3_666 .
O10 Li41 O27 88.63(12) . 3_666
O10 Li41 O27 91.37(12) 3_666 3_666
O10 Li41 O10 180.0 3_666 .
O26 Li41 O27 99.87(11) 3_666 .
O26 Li41 O27 80.13(11) . .
O26 Li41 O27 99.87(11) . 3_666
O26 Li41 O27 80.13(11) 3_666 3_666
O26 Li41 O10 92.39(13) . .
O26 Li41 O10 92.39(13) 3_666 3_666
O26 Li41 O10 87.61(13) . 3_666
O26 Li41 O10 87.61(13) 3_666 .
O26 Li41 O26 180.0 3_666 .
Li40 O11 S5 136.59(17) 3_676 .
Li40 O12 S3 135.24(18) . .
Li39 O38 C34 137.5(4) 2_645 .
Li41 O27 S18 132.19(18) 3_666 .
Li41 O10 S5 147.2(2) . .
Li41 O26 S20 137.57(19) . .
Li39 O13 S3 144.0(3) . .
Li39 O28 S18 149.6(3) . .
Li40 O25 S20 143.4(2) 3_676 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S5 N4 1.569(3) .
S5 C6 1.831(5) .
S5 O11 1.428(3) .
S5 O10 1.426(3) .
S20 N19 1.572(3) .
S20 C21 1.824(5) .
S20 O26 1.427(3) .
S20 O25 1.419(3) .
S3 N4 1.569(3) .
S3 C2 1.826(5) .
S3 O12 1.434(3) .
S3 O13 1.426(3) .
S18 N19 1.579(3) .
S18 C17 1.835(5) .
S18 O27 1.427(3) .
S18 O28 1.429(3) .
F8 C6 1.308(5) .
F1 C2 1.318(6) .
F14 C2 1.315(5) .
F15 C2 1.313(5) .
F16 C17 1.321(6) .
O31 C32 1.236(6) .
O31 Li39 1.929(8) .
F29 C17 1.308(6) .
F23 C21 1.311(6) .
F30 C17 1.314(6) .
O35 C34 1.309(6) .
O35 C36 1.503(8) .
F7 C6 1.317(7) .
F9 C6 1.288(7) .
F22 C21 1.314(7) .
F24 C21 1.296(8) .
C33 H33a 0.9700 .
C33 H33b 0.9700 .
C33 C34 1.548(8) .
C33 C32 1.446(8) .
C34 O38 1.177(6) .
C32 C37 1.486(8) .
C37 H37a 0.9600 .
C37 H37b 0.9600 .
C37 H37c 0.9600 .
C36 H36a 0.9600 .
C36 H36b 0.9600 .
C36 H36c 0.9600 .
Li39 O38 1.919(8) 2_655
Li39 O13 1.960(8) .
Li39 O28 1.947(8) .
Li40 O11 2.069(3) .
Li40 O11 2.069(3) 3_676
Li40 O12 2.162(3) .
Li40 O12 2.162(3) 3_676
Li40 O25 2.208(3) 3_676
Li40 O25 2.208(3) .
Li41 O27 2.265(3) 3_666
Li41 O27 2.265(3) .
Li41 O10 2.105(3) .
Li41 O10 2.105(3) 3_666
Li41 O26 2.085(3) .
Li41 O26 2.085(3) 3_666
