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_4500804
_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_systematic
;
 ?
;
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 91.33(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.1337(12)
_cell_length_b                   14.362(3)
_cell_length_c                   7.1111(14)
_cell_measurement_temperature    293(2)
_cell_volume                     626.3(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.776
_diffrn_measured_fraction_theta_max 0.776
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0956
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       4
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            1578
_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    2.017
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             310
_refine_diff_density_max         2.036
_refine_diff_density_min         -2.007
_refine_diff_density_rms         0.265
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.0(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.116
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         1578
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      2.146
_refine_ls_R_factor_all          0.1857
_refine_ls_R_factor_gt           0.1425
_refine_ls_shift/su_max          0.088
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3397
_refine_ls_wR_factor_ref         0.3707
_reflns_number_gt                1094
_reflns_number_total             1578
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg200326n_si_002.cif
_cod_data_source_block           sample11
_cod_database_code               4500804