A dicationic ionic liquid strategy to enhance the thermal stability of manganese bromide scintillators.
Chen, Guo-Yang; Lin, Hao-Wei; Ablez, Abdusalam; Guo, Xin-Pin; Ren, Yu-Wei; Luo, Jia-Hua; Zou, Qing-Hua; Du, Ke-Zhao; Wang, Ze-Ping; Huang, Xiao-Ying; Chemical science 17 (2026) 5532–5541; doi:10.1039/d5sc07813j

data_1576909
_publ_section_title
;
 A dicationic ionic liquid strategy to enhance the thermal stability of
 manganese bromide scintillators.
;
_journal_issue                   11
_journal_name_full               'Chemical science'
_journal_page_first              5532
_journal_page_last               5541
_journal_paper_doi               10.1039/d5sc07813j
_journal_volume                  17
_journal_year                    2026
_chemical_formula_moiety         'C22 H48 Br4 Mn N2'
_chemical_formula_sum            'C22 H48 Br4 Mn N2'
_chemical_formula_weight         715.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-07-24 deposited with the CCDC.	2026-01-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.371(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.8872(7)
_cell_length_b                   14.0460(5)
_cell_length_c                   15.5723(8)
_cell_measurement_reflns_used    6751
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.5190
_cell_measurement_theta_min      2.0875
_cell_volume                     2966.1(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.801
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.801
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13536
_diffrn_reflns_point_group_measured_fraction_full 0.825
_diffrn_reflns_point_group_measured_fraction_max 0.621
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.519
_diffrn_reflns_theta_min         2.087
_exptl_absorpt_coefficient_mu    5.845
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50057
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_description       block
_exptl_crystal_F_000             1436
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.795
_refine_diff_density_min         -0.565
_refine_diff_density_rms         0.105
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.008(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     267
_refine_ls_number_reflns         5628
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0316
_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^)+(0.0323P)^2^+5.5157P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0674
_refine_ls_wR_factor_ref         0.0688
_reflns_Friedel_coverage         0.550
_reflns_Friedel_fraction_full    0.650
_reflns_Friedel_fraction_max     0.441
_reflns_number_gt                5207
_reflns_number_total             5628
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5sc07813j2.cif
_cod_data_source_block           x_CCDC3
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               1576909
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.388
_shelx_estimated_absorpt_t_max   0.474
_shelx_res_checksum              51683