Unique cation-template three-dimensional hybrid material demonstrates dielectric switchable response.
Zhang, Tie; Song, Shuang-Teng; Zhu, Hao-Nan; Chu, Lu-Lu; Fu, Da-Wei; Zhang, Yi; Dalton transactions (Cambridge, England : 2003) 50 (2021) 10142–10146; doi:10.1039/d1dt01812d

data_7707765
_publ_section_title
;
 Unique cation-template three-dimensional hybrid material demonstrates
 dielectric switchable response.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10142
_journal_page_last               10146
_journal_paper_doi               10.1039/d1dt01812d
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'B3 F12 K, C7 H16 N2'
_chemical_formula_sum            'C7 H16 B3 F12 K N2'
_chemical_formula_weight         427.75
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2021-05-27 deposited with the CCDC.	2021-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 119.608(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8794(4)
_cell_length_b                   8.9060(4)
_cell_length_c                   19.7825(8)
_cell_measurement_reflns_used    5228
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.7550
_cell_measurement_theta_min      2.5810
_cell_volume                     1513.31(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0137
_diffrn_reflns_av_sigmaI/netI    0.0159
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            6694
_diffrn_reflns_theta_full        24.25
_diffrn_reflns_theta_max         24.25
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    0.480
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Strip
_exptl_crystal_F_000             856.0
_refine_diff_density_max         1.864
_refine_diff_density_min         -1.490
_refine_diff_density_rms         0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         2351
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.198
_refine_ls_R_factor_all          0.1498
_refine_ls_R_factor_gt           0.1424
_refine_ls_shift/su_max          0.092
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+30.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2964
_refine_ls_wR_factor_ref         0.2987
_reflns_number_gt                2123
_reflns_number_total             2450
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1dt01812d2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7707765--7707766.cif.'
_cod_original_cell_volume        1513.31(11)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7707765