Crystallinity-dependence of ionic conductivity in the ion pairs of a multi-interactive anion.
Lee, Gil Ryeong; Ohtsu, Hiroyoshi; Koo, Jinyoung; Yakiyama, Yumi; Park, Moon Jeong; Inoue, Daishi; Hashizume, Daisuke; Kawano, Masaki; Chemical communications (Cambridge, England) 52 (2016) 3962–3965; doi:10.1039/c5cc10136k

data_7118726
_publ_section_title
;
 Crystallinity-dependence of ionic conductivity in the ion pairs of a
 multi-interactive anion.
;
_journal_issue                   20
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3962
_journal_page_last               3965
_journal_paper_doi               10.1039/c5cc10136k
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C22 N9 Na O5'
_chemical_formula_sum            'C22 N9 Na O5'
_chemical_formula_weight         493.283
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
;
2015-11-13 deposited with the CCDC.
2016-02-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.59(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   32.313(3)
_cell_length_b                   19.769(2)
_cell_length_c                   3.7343(3)
_cell_measurement_temperature    300
_cell_volume                     2358.7(4)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_computing_structure_solution    DASH
_diffrn_ambient_temperature      300
_diffrn_detector                 'Imaging Plate'
_diffrn_measurement_device_type  'large Debye-Scherrer camera'
_diffrn_radiation_monochromator  Si(111)
_diffrn_radiation_wavelength     1.300000
_diffrn_source                   synchrotron
_diffrn_source_target            'SPring-8 BL19B2'
_diffrn_source_type              synchrotron
_exptl_crystal_density_diffrn    1.3891
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             984.00
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  'pale yellow'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        78.0700
_pd_meas_2theta_range_min        0.0100
_pd_meas_number_of_points        7807
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        50.0000
_pd_proc_2theta_range_min        3.0000
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.02243
_pd_proc_ls_prof_wR_expected     0.02314
_pd_proc_ls_prof_wR_factor       0.02955
_pd_proc_wavelength              1.3000
_pd_spec_mounting                capillary
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.2770
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_constraints    33
_refine_ls_number_parameters     272
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.04361
_refine_ls_R_Fsqd_factor         0.03995
_refine_ls_R_I_factor            0.05395
_refine_ls_shift/su_max          1.0E-6
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c5cc10136k2.cif
_cod_data_source_block           1_NaTPHAP-H
_cod_depositor_comments
'Adding full bibliography for 7118726--7118729.cif.'
_cod_original_sg_symbol_Hall     '-P 2ybc'
_cod_database_code               7118726