Cs[Tf~2~N]: a second polymorph with a layered structure
Stritzinger, Jared T.; Droessler, Janelle E.; Scott, Brian L.; Goff, George S.; Acta Crystallographica Section E 74 (2018) 551–554; doi:10.1107/S2056989018004401

data_2242431
_publ_section_title
;
 Cs[Tf~2~N]: a second polymorph with a layered structure
;
_journal_coeditor_code           WM5433
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              551
_journal_page_last               554
_journal_paper_doi               10.1107/S2056989018004401
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '[Cs (C2 F6 N O4 S2)]'
_chemical_formula_moiety         '(Cs) [N(SO2CF3)2]'
_chemical_formula_sum            'C2 Cs F6 N O4 S2'
_chemical_formula_weight         413.06
_chemical_melting_point          399
_chemical_name_common            'Cesium Bistriflimide'
_chemical_name_systematic
;
Poly[[\m~4~-bis[(trifluoromethyl)sulfonyl]imido]caesium(I)]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 103.686(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.431(4)
_cell_length_b                   6.918(2)
_cell_length_c                   13.469(4)
_cell_measurement_reflns_used    12467
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.503
_cell_measurement_theta_min      3.113
_cell_volume                     1034.9(6)
_computing_cell_refinement
;
SAINT-Plus (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT-Plus (Bruker, 2014)
;
_computing_molecular_graphics
;
CrystalMaker (CrystalMaker, 2013)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Photon 100'
_diffrn_measurement_method       '0.5 wide w/exposures'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12467
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.503
_diffrn_reflns_theta_min         3.113
_exptl_absorpt_coefficient_mu    4.068
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5069
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2014)
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.651
_exptl_crystal_density_method    'Not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.33
_refine_diff_density_max         0.835
_refine_diff_density_min         -1.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2354
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0221
_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^)+(0.0256P)^2^+1.4815P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0527
_refine_ls_wR_factor_ref         0.0577
_reflns_number_gt                1980
_reflns_number_total             2354
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5433sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1035.0(5)
_cod_database_code               2242431
_shelx_hkl_checksum              22693
_shelx_res_checksum              13300
_cod_database_fobs_code 2242431