In-Situ Crystal Growth and Properties of the Magnetic Ionic Liquid [C2mim][FeCl4]
Bäcker, Tobias; Breunig, Oliver; Valldor, Martin; Merz, Klaus; Vasylyeva, Vera; Mudring, Anja-Verena; Crystal Growth & Design 11 (2011) 2564–; doi:10.1021/cg200326n

data_4500803
_publ_section_title
;
 In-Situ Crystal Growth and Properties of the Magnetic Ionic Liquid
 [C2mim][FeCl4]
;
_journal_issue                   6
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              2564
_journal_paper_doi               10.1021/cg200326n
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C6 H11 Cl4 Fe N2'
_chemical_formula_weight         308.82
_chemical_name_common
'1-ethyl-3-methylimidazolium tetrachloroferrat(III)'
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 129.841(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4124(19)
_cell_length_b                   14.645(3)
_cell_length_c                   12.444(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1317.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.881
_diffrn_measured_fraction_theta_max 0.881
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0704
_diffrn_reflns_av_sigmaI/netI    0.1251
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3335
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    1.919
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             620
_refine_diff_density_max         1.168
_refine_diff_density_min         -1.048
_refine_diff_density_rms         0.197
_refine_ls_extinction_coef       0.013(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     130
_refine_ls_number_reflns         2045
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.1590
_refine_ls_R_factor_gt           0.0982
_refine_ls_shift/su_max          1.989
_refine_ls_shift/su_mean         0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1968P)^2^+0.0282P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2509
_refine_ls_wR_factor_ref         0.3296
_reflns_number_gt                1079
_reflns_number_total             2045
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg200326n_si_001.cif
_cod_data_source_block           1
_cod_original_cell_volume        1317.1(6)
_cod_database_code               4500803