Poly[bis(acetonitrile-κ<i>N</i>)bis[μ~3~-bis(trifluoromethanesulfonyl)imido-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''']dilithium]
Seo, Daniel M.; Boyle, Paul D.; Henderson, Wesley A.; Acta Crystallographica Section E 67 (2011) m534–; doi:10.1107/S1600536811011561

data_2230141
_publ_section_title
;
 Poly[bis(acetonitrile-\k<i>N</i>)bis[\m~3~-bis(trifluoromethanesulfonyl)imido-\k^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''']dilithium]
;
_journal_coeditor_code           SI2342
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m534
_journal_paper_doi               10.1107/S1600536811011561
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Li2 (C2 F6 N O4 S2)2 (C2 H3 N)2]'
_chemical_formula_moiety         'C8 H6 F12 Li2 N4 O8 S4'
_chemical_formula_sum            'C8 H6 F12 Li2 N4 O8 S4'
_chemical_formula_weight         656.29
_chemical_melting_point          315.68
_chemical_name_common
;
(acetonitrile)~1~:lithium bis(trifluoromethanesulfonyl)imide
;
_chemical_name_systematic
;
Poly[bis(acetonitrile-\k<i>N</i>)bis[\m~3~-
bis(trifluoromethanesulfonyl)imido-\k^4^<i>O</i>,<i>O</i>':<i>O</i>'':
<i>O</i>''']dilithium]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.8483(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8654(2)
_cell_length_b                   11.0610(2)
_cell_length_c                   19.1778(3)
_cell_measurement_reflns_used    4162
_cell_measurement_temperature    110
_cell_measurement_theta_max      65.81
_cell_measurement_theta_min      4.61
_cell_volume                     2304.58(7)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'cif2tables.py (Boyle, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1994)'
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker--Nonius X8 APEXII'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0493
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9937
_diffrn_reflns_theta_full        66.18
_diffrn_reflns_theta_max         66.18
_diffrn_reflns_theta_min         4.61
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.158
_exptl_absorpt_correction_T_max  0.5117
_exptl_absorpt_correction_T_min  0.2321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.663
_refine_diff_density_min         -0.494
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         3950
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
' w=1/[\s^2^(Fo^2^)+(0.0689P)^2^+0.1796P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1043
_refine_ls_wR_factor_ref         0.1076
_reflns_number_gt                3482
_reflns_number_total             3950
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            si2342.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2230141
_cod_database_fobs_code          2230141