High-temperature phase transition and switchable dielectric properties of the [2-amino-3-methylpyridine]<sub>2</sub>[ZnBr<sub>4</sub>] complex.
Song, Jia-Le; Song, Jia; Zhang, Guang-Ying; Zhang, Su-Jing; Shi, Xiang-Yu; Yang, Ze-Feng; Qi, Ting-Ting; Gao, Ji-Xing; Dalton transactions (Cambridge, England : 2003) 54 (2025) 14480–14485; doi:10.1039/d5dt01583a

data_7719342
_publ_section_title
;
 High-temperature phase transition and switchable dielectric properties of
 the [2-amino-3-methylpyridine]<sub>2</sub>[ZnBr<sub>4</sub>] complex.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14480
_journal_page_last               14485
_journal_paper_doi               10.1039/d5dt01583a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C12 H18 Br4 N4 Zn'
_chemical_formula_sum            'C12 H18 Br4 N4 Zn'
_chemical_formula_weight         603.31
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2025-07-01 deposited with the CCDC.	2025-09-01 downloaded from the CCDC.
;
_cell_angle_alpha                89.075(5)
_cell_angle_beta                 89.252(5)
_cell_angle_gamma                67.393(5)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1150
_cell_measurement_theta_min      2.3760
_cell_volume                     975.37(10)
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_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 0.999
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at offset/far, HyPix'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1025
_diffrn_reflns_av_unetI/netI     0.1085
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.385
_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_correction_T_min  0.14972
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.054
_exptl_crystal_description       Flakes
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.029
_refine_diff_density_min         -1.479
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_refine_ls_extinction_coef       0.019(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         3424
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0702
_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^)+(0.1105P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1787
_refine_ls_wR_factor_ref         0.1952
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2287
_reflns_number_total             3424
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt01583a1.cif
_cod_data_source_block           P_1
_cod_depositor_comments          'Adding full bibliography for 7719342.cif.'
_cod_database_code               7719342
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.220
_shelx_estimated_absorpt_t_max   0.254
_shelx_res_checksum              8948
_shelx_hkl_checksum              1108