Ionic transport in highly concentrated lithium bis(fluorosulfonyl)amide electrolytes with keto ester solvents: structural implications for ion hopping conduction in liquid electrolytes.
Kondou, Shinji; Thomas, Morgan L.; Mandai, Toshihiko; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi; Physical chemistry chemical physics : PCCP 21 (2019) 5097–5105; doi:10.1039/c9cp00425d

data_7234975
_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         'C4 H6 F4 Li2 N2 O11 S4'
_chemical_formula_sum            'C4 H6 F4 Li2 N2 O11 S4'
_chemical_formula_weight         476.23
_chemical_name_systematic        Li[FSA]:MP=1:0.5
_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_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2018-12-21 deposited with the CCDC.
2019-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                76.512(7)
_cell_angle_beta                 76.556(7)
_cell_angle_gamma                71.936(7)
_cell_formula_units_Z            2
_cell_length_a                   7.3617(6)
_cell_length_b                   9.6029(8)
_cell_length_c                   13.0788(10)
_cell_measurement_reflns_used    3900
_cell_measurement_temperature    223
_cell_measurement_theta_max      27.4840
_cell_measurement_theta_min      3.0000
_cell_volume                     841.85(12)
_diffrn_ambient_temperature      223
_diffrn_measured_fraction_theta_full 0.9980
_diffrn_measured_fraction_theta_max 0.8768
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa dual home/near'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12731
_diffrn_reflns_theta_full        28.2543
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    0.662
_exptl_crystal_density_diffrn    1.8786
_exptl_crystal_description       needle
_exptl_crystal_F_000             477.3965
_refine_diff_density_max         0.9155
_refine_diff_density_min         -0.4531
_refine_diff_density_rms         0.1219
_refine_ls_d_res_high            0.7507
_refine_ls_d_res_low             6.8930
_refine_ls_goodness_of_fit_ref   1.1084
_refine_ls_matrix_type           full
_refine_ls_number_constraints    8
_refine_ls_number_parameters     246
_refine_ls_number_reflns         3657
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.1084
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0570P)^2^+1.9069P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1553
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -9
_reflns_limit_k_max              12
_reflns_limit_k_min              -12
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                2657
_reflns_number_total             3657
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c9cp00425d2.cif
_cod_data_source_block           exp_291
_cod_database_code               7234975