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_7225873
_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           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 89.921(1)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   6.5434(2)
_cell_length_b                   14.0286(2)
_cell_length_c                   6.5314(2)
_cell_measurement_temperature    300
_cell_volume                     599.55(3)
_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      300
_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    1.633
_exptl_crystal_F_000             294
_pd_instr_location
;
'BL04-MSPD, ALBA Synchrotron Light Source (SPAIN)'
;
_pd_meas_2theta_range_inc        0.00600
_pd_meas_2theta_range_max        63.09606
_pd_meas_2theta_range_min        1.10400
_pd_meas_number_of_points        10332
_pd_proc_2theta_range_inc        0.00600
_pd_proc_2theta_range_max        40.00000
_pd_proc_2theta_range_min        4.00600
_pd_proc_ls_background_function
'linear extrapolation of automatically determined points'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_wR_factor       0.061
_pd_proc_number_of_points        5999
_pd_spec_mounting                'glass capillary'
_pd_spec_mount_mode              transmission
_refine_diff_density_max         0.523
_refine_diff_density_min         -0.664
_refine_diff_density_rms         0.228
_refine_ls_goodness_of_fit_all   6.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     50
_refine_ls_number_reflns         888
_refine_ls_number_restraints     33
_refine_ls_R_I_factor            0.071
_refine_ls_shift/su_max          0.167
_refine_ls_shift/su_mean         0.082
_refine_ls_weighting_details     1/Yobs
_refine_ls_weighting_scheme      calc
_cod_data_source_file            c6cp02433e4.cif
_cod_data_source_block           DiminFeCl4_300K
_cod_depositor_comments
;
The following automatic conversions were performed:

'_space_group_crystal_system' value 'Monoclinic' changed to
'monoclinic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_cell_volume        599.55(4)
_cod_database_code               7225873