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_7225871
_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      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.1242(1)
_cell_length_b                   13.8132(2)
_cell_length_c                   9.0359(1)
_cell_measurement_temperature    100
_cell_volume                     1138.83(2)
_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      100
_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    1.719
_exptl_crystal_F_000             588
_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        3.00600
_pd_proc_ls_background_function
'linear extrapolation of automatically determined points'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_wR_factor       0.058
_pd_proc_number_of_points        6166
_pd_spec_mounting                'glass capillary'
_pd_spec_mount_mode              transmission
_refine_diff_density_max         0.000
_refine_diff_density_min         0.000
_refine_diff_density_rms         0.000
_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         948
_refine_ls_number_restraints     20
_refine_ls_R_I_factor            0.223
_refine_ls_shift/su_max          0.171
_refine_ls_shift/su_mean         0.093
_refine_ls_weighting_details     1/Yobs
_refine_ls_weighting_scheme      calc
_cod_data_source_file            c6cp02433e2.cif
_cod_data_source_block           DiminFeCl4_100K
_cod_depositor_comments
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The following automatic conversions were performed:

'_space_group_crystal_system' value 'Orthorhombic' changed to
'orthorhombic' 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        1138.84(2)
_cod_database_code               7225871