Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid
de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus; Phys. Chem. Chem. Phys.  (2016) –; doi:10.1039/C6CP02433E

data_7225872
_publ_section_title
;
 Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal
 Treatment on DimimFeCl4 Magnetic Ionic Liquid
;
_journal_name_full               'Phys. Chem. Chem. Phys.'
_journal_paper_doi               10.1039/C6CP02433E
_journal_year                    2016
_chemical_formula_moiety         'C5 H9 N2, Cl4 Fe'
_chemical_formula_sum            'C5 H9 Cl4 Fe N2'
_chemical_formula_weight         294.79
_chemical_name_common
;
DimimFeCl4 (dimim=1,3-dimethylimidazolium)
;
_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_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 115.539(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   14.1391(3)
_cell_length_b                   13.7039(3)
_cell_length_c                   13.2935(3)
_cell_measurement_temperature    220
_cell_volume                     2324.09(10)
_computing_data_reduction        'DAJUST (Vallcorba et al., 2012)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'RIBOLS (Rius, 2012)'
_computing_structure_solution    'TALP (Vallcorba et al., 2012)'
_diffrn_ambient_temperature      220
_diffrn_detector                 MYTHEN-II
_diffrn_measurement_device_type  'three-circle diffractometer'
_diffrn_radiation_monochromator  'Si (111)'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.61969
_exptl_absorpt_coefficient_mu    1.412
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_F_000             1176
_pd_instr_location
;
'BL04-MSPD, ALBA Synchrotron Light Source (SPAIN)'
;
_pd_meas_2theta_range_inc        0.00400
_pd_meas_2theta_range_max        30.17067
_pd_meas_2theta_range_min        1.99862
_pd_meas_number_of_points        7043
_pd_proc_2theta_range_inc        0.00400
_pd_proc_2theta_range_max        30.17067
_pd_proc_2theta_range_min        3.60400
_pd_proc_ls_background_function
'linear extrapolation of automatically determined points'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_wR_factor       0.037
_pd_proc_number_of_points        6643
_pd_spec_mounting                'glass capillary'
_pd_spec_mount_mode              transmission
_refine_diff_density_max         1.700
_refine_diff_density_min         -0.920
_refine_diff_density_rms         0.439
_refine_ls_goodness_of_fit_all   8.593
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     87
_refine_ls_number_reflns         1442
_refine_ls_number_restraints     46
_refine_ls_R_I_factor            0.025
_refine_ls_shift/su_max          0.158
_refine_ls_shift/su_mean         0.084
_refine_ls_weighting_details     1/Yobs
_refine_ls_weighting_scheme      calc
_cod_data_source_file            c6cp02433e3.cif
_cod_data_source_block           DiminFeCl4_220K
_cod_original_cell_volume        2324.1(1)
_cod_database_code               7225872