Electrochemical methodology for determination of imidazolium ionic liquids (solids at room temperature) properties: influence of the temperature
Stracke, M. P.; Migliorini, M. V.; Lissner, E.; Schrekker, H. S.; Back, D.; Lang, E. S.; Dupont, J.; Gonçalves, R. S.; New Journal of Chemistry 33 (2009) 82–; doi:10.1039/b812258j

data_7051601
_publ_section_title
;
 Electrochemical methodology for determination of imidazolium ionic
 liquids (solids at room temperature) properties: influence of the
 temperature
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              82
_journal_paper_doi               10.1039/b812258j
_journal_volume                  33
_journal_year                    2009
_chemical_formula_moiety         'C15 H17 F6 N3 O4 S2'
_chemical_formula_sum            'C15 H17 F6 N3 O4 S2'
_chemical_formula_weight         481.44
_chemical_name_common            (PhCH2CH2CH2(N2C3H3)CH3)(N(SO2CF3)
_chemical_name_systematic
;
[PhCH2CH2CH2(N2C3H3)CH3][N(SO2CF3]
;
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2006-05-16T17:52:18-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 105.4960(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.1807(2)
_cell_length_b                   14.8585(3)
_cell_length_c                   12.8594(3)
_cell_measurement_reflns_used    145
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      3
_cell_volume                     2058.66(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2/BIS/COSMO'
_computing_data_reduction        'Bruker SAINT/SADABS'
_computing_molecular_graphics    'Crysal Impact Diamond 3'
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_unetI/netI     0.0342
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            36755
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.339
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.98282
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.007
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         5127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.1524
_refine_ls_R_factor_gt           0.0921
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1847P)^2^+1.4100P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2952
_refine_ls_wR_factor_ref         0.3457
_reflns_number_gt                2659
_reflns_number_total             5127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b812258j.txt
_cod_data_source_block           teste2
_cod_original_cell_volume        2058.65(7)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7051601