A Supercooled Imidazolium Iodide Ionic Liquid as a Low-Viscosity Electrolyte for Dye-Sensitized Solar Cells
Fei, Zhaofu; Kuang, Daibin; Zhao, Dongbin; Klein, Cedric; Ang, Wee Han; Zakeeruddin, Shaik M.; Grätzel, Michael; Dyson, Paul J.; Inorganic Chemistry 45 (2006) 10407–10409; doi:10.1021/ic061232n

data_4333005
_publ_section_title
;
 A Supercooled Imidazolium Iodide Ionic Liquid as a Low-Viscosity
 Electrolyte for Dye-Sensitized Solar Cells
;
_journal_issue                   26
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10407
_journal_page_last               10409
_journal_paper_doi               10.1021/ic061232n
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C9 H15 N2, I'
_chemical_formula_sum            'C9 H15 I N2'
_chemical_formula_weight         278.13
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                72.026(9)
_cell_angle_beta                 73.529(8)
_cell_angle_gamma                82.548(7)
_cell_formula_units_Z            4
_cell_length_a                   9.3702(8)
_cell_length_b                   11.1295(10)
_cell_length_c                   12.3296(13)
_cell_measurement_reflns_used    5588
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      28.7556
_cell_measurement_theta_min      2.3287
_cell_volume                     1171.6(2)
_computing_cell_refinement       'Oxford Diffraction CrysAlis RED'
_computing_data_collection       'Oxford Diffraction CrysAlis CCD'
_computing_data_reduction        'Oxford Diffraction CrysAlis RED'
_computing_molecular_graphics    'Crystal Impact DIAMOND'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SiR92 (Altomare et al, 1993)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.875
_diffrn_measured_fraction_theta_max 0.875
_diffrn_measurement_device_type  'Oxford Diffraction KM4/Sapphire CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0375
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6904
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.24
_exptl_absorpt_coefficient_mu    2.691
_exptl_absorpt_correction_T_max  0.7950
_exptl_absorpt_correction_T_min  0.4000
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
(See: Walker, N. & Stuart, D. (1983) Acta Cryst. A39, 158-166)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.874
_refine_diff_density_min         -0.972
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     239
_refine_ls_number_reflns         3624
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0628P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0897
_reflns_number_gt                3133
_reflns_number_total             3624
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061232nsup1.cif
_cod_data_source_block           3a_pd354
_cod_original_cell_volume        1171.60(19)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4333005