Rapid dielectric bistable switching materials without a time/temperature responsive blind area in the linarite-like type molecular large-size single crystals
Cheng Chen; Wan-Ying Zhang; Heng-Yun Ye; Qiong Ye; Da-Wei Fu; Journal of Materials Chemistry C 4 (2016) 9009–9020; doi:10.1039/C6TC02166B

data_7235035
_publ_section_title
;
 Rapid dielectric bistable switching materials without a time/temperature
 responsive blind area in the linarite-like type molecular large-size
 single crystals
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              9009
_journal_page_last               9020
_journal_paper_doi               10.1039/C6TC02166B
_journal_volume                  4
_journal_year                    2016
_chemical_formula_sum            'C6 H12 Br2 Cd N2 O4 S'
_chemical_formula_weight         480.46
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.752(7)
_cell_length_b                   17.244(12)
_cell_length_c                   7.521(5)
_cell_measurement_temperature    223(2)
_cell_volume                     1264.8(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_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  0.0574
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4479
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         3.59
_exptl_absorpt_coefficient_mu    8.210
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.91
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.523
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.358
_refine_diff_density_min         -1.084
_refine_diff_density_rms         0.423
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.973
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     40
_refine_ls_number_reflns         804
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.954
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0838
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2475
_refine_ls_wR_factor_ref         0.2546
_reflns_number_gt                711
_reflns_number_total             804
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2016-4-9009.cif
_cod_data_source_block           14
_cod_original_sg_symbol_H-M      Cmcm
_cod_database_code               7235035