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_7127401
_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                 123.518(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1998(5)
_cell_length_b                   7.4008(3)
_cell_length_c                   21.8754(10)
_cell_measurement_reflns_used    6042
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      30.3680
_cell_measurement_theta_min      3.2030
_cell_volume                     1646.66(13)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_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  0.0327
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            7508
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        24.149
_diffrn_reflns_theta_max         24.149
_diffrn_reflns_theta_min         2.970
_exptl_absorpt_coefficient_mu    11.750
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.285
_exptl_crystal_description       ribbon
_exptl_crystal_F_000             1064
_refine_diff_density_max         1.770
_refine_diff_density_min         -2.527
_refine_diff_density_rms         0.281
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2501
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0349
_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^)+(0.0595P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0854
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2231
_reflns_number_total             2501
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc05648k2.cif
_cod_data_source_block           1-213k
_cod_depositor_comments
'Adding full bibliography for 7127401--7127402.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7127401
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              1389