1-ethyl-2,3-dimethylimidazolium paramagnetic ionic liquids with 3D magnetic ordering in its solid state: synthesis, structure and magneto-structural correlations
Garcia Saiz, Abel; de Pedro, Imanol; Vallcorba, Oriol; Migowski, Pedro; Campo, Ignacio; Fernandez Barquin, Luis; Abrahams, I.; Motevalli, Majid; Dupont, Jairton; Gonzalez, Jesus Antonio; Rogriguez, Jesus; RSC Adv.  (2015) –; doi:10.1039/C5RA05723J

data_7220858
_publ_section_title
;
 1-ethyl-2,3-dimethylimidazolium paramagnetic ionic liquids with 3D
 magnetic ordering in its solid state: synthesis, structure and
 magneto-structural correlations
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA05723J
_journal_year                    2015
_chemical_formula_moiety         'C7 H13 N2, Cl4 Fe'
_chemical_formula_sum            'C7 H13 Cl4 Fe N2'
_chemical_formula_weight         322.84
_chemical_name_common
'1-ethyl-2,3-dimethylimidazolium tetrachloroferrate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_update_record
;
2015-03-25 deposited with the CCDC.
2015-06-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.261(1)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.6703(1)
_cell_length_b                   14.3513(2)
_cell_length_c                   9.5744(1)
_cell_measurement_temperature    100
_cell_volume                     1325.08(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      100
_diffrn_detector                 MYTHEN-II
_diffrn_radiation_monochromator  'Si (111)'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.6193
_exptl_absorpt_coefficient_mu    0.746
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_F_000             652
_pd_instr_location
;
'BL04-MSPD, ALBA Synchrotron Light Source (SPAIN)'
;
_pd_meas_2theta_range_inc        0.006
_pd_meas_2theta_range_max        43.092
_pd_meas_2theta_range_min        1.104
_pd_meas_number_of_points        6999
_pd_proc_2theta_range_inc        0.00600
_pd_proc_2theta_range_max        33.99597
_pd_proc_2theta_range_min        4.00200
_pd_proc_ls_background_function
'linear extrapolation of visually estimated points'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_wR_factor       0.060
_pd_proc_number_of_points        4999
_pd_spec_mounting                'glass capillary'
_pd_spec_mount_mode              transmission
_refine_diff_density_max         0.520
_refine_diff_density_min         -0.419
_refine_ls_goodness_of_fit_all   6.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     54
_refine_ls_number_reflns         2330
_refine_ls_number_restraints     36
_refine_ls_R_I_factor            0.042
_refine_ls_shift/su_max          0.101
_refine_ls_shift/su_mean         0.051
_refine_ls_weighting_details     1/Yobs
_refine_ls_weighting_scheme      calc
_cod_data_source_file            c5ra05723j2.cif
_cod_data_source_block           edimimFeCl4_100K
_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 3271 2015-04-21 07:52:19Z andrius 
;
_cod_database_code               7220858