Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).
Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei; Dalton transactions (Cambridge, England : 2003) 47 (2018) 7005–7012; doi:10.1039/c8dt00353j

data_7702174
_publ_section_title
;
 Tunable dielectric transitions in layered organic-inorganic hybrid
 perovskite-type compounds:
 [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>]
 (x = 0, 1/4, 1).
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7005
_journal_page_last               7012
_journal_paper_doi               10.1039/c8dt00353j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'Cd2 Cl8, 4(C2 Cl N)'
_chemical_formula_sum            'C8 Cd2 Cl12 N4'
_chemical_formula_weight         802.34
_space_group_crystal_system      orthorhombic
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-05-18 deposited with the CCDC.
2018-04-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.5041(15)
_cell_length_b                   24.658(5)
_cell_length_c                   7.4996(15)
_cell_measurement_reflns_used    863
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.482
_cell_measurement_theta_min      3.179
_cell_volume                     1387.7(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku SCXmini diffractometer'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4530
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         3.179
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.690
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.920
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flake
_exptl_crystal_F_000             752
_refine_diff_density_max         1.921
_refine_diff_density_min         -1.067
_refine_diff_density_rms         0.247
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     48
_refine_ls_number_reflns         863
_refine_ls_number_restraints     67
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0740
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1381P)^2^+15.1768P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2072
_refine_ls_wR_factor_ref         0.2258
_reflns_Friedel_coverage         0.000
_reflns_number_gt                656
_reflns_number_total             863
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00353j2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_Hall     '-C 2bc 2'
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               7702174
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              74326