A one-dimensional switchable dielectric material with Pd uptake function: [(CH<sub>2</sub>)<sub>3</sub>NH<sub>2</sub>S]<sub>2</sub>BiCl<sub>5</sub>.
Liu, Yu-Ting; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei; Chemical communications (Cambridge, England) 56 (2020) 13764–13767; doi:10.1039/d0cc05648k

data_7127402
_publ_section_title
;
 A one-dimensional switchable dielectric material with Pd uptake function:
 [(CH<sub>2</sub>)<sub>3</sub>NH<sub>2</sub>S]<sub>2</sub>BiCl<sub>5</sub>.
;
_journal_issue                   89
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              13764
_journal_page_last               13767
_journal_paper_doi               10.1039/d0cc05648k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         '(C3 H8 N S)2??BiCl5'
_chemical_formula_sum            'C6 H16 Bi Cl5 N2 S2'
_chemical_formula_weight         566.56
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-06-13 deposited with the CCDC.	2020-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 123.339(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2320(4)
_cell_length_b                   7.5245(2)
_cell_length_c                   22.0936(8)
_cell_measurement_reflns_used    5256
_cell_measurement_temperature    363(2)
_cell_measurement_theta_max      30.4030
_cell_measurement_theta_min      2.9150
_cell_volume                     1698.84(10)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      363(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_av_unetI/netI     0.0324
_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            8011
_diffrn_reflns_point_group_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        24.245
_diffrn_reflns_theta_max         24.245
_diffrn_reflns_theta_min         2.923
_exptl_absorpt_coefficient_mu    11.389
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.215
_exptl_crystal_description       ribbon
_exptl_crystal_F_000             1064
_refine_diff_density_max         1.437
_refine_diff_density_min         -2.271
_refine_diff_density_rms         0.227
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2644
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0786P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1075
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2325
_reflns_number_total             2644
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc05648k2.cif
_cod_data_source_block           1-363K
_cod_depositor_comments
'Adding full bibliography for 7127401--7127402.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7127402
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              27394