Achieving Switchable UV/Vis Circularly Polarized Luminescence by Varying Excitation Wavelength in Chiral Indium Halides
Guo, Xin-Ping; Lin, HaoWei; Ablez, Abdusalam; Zhang, Sheng-Mao; Ren, Yu-Wei; Chen, Guo-Yang; Zhang, Wei-Yu; Du, Kezhao; Wang, Zeping; Huang, Xiao-Ying; Chemical Science  (2026) –; doi:10.1039/D5SC09439A

data_1576574
_publ_section_title
;
 Achieving switchable UV/Vis circularly polarized luminescence by varying
 excitation wavelength in chiral indium halides.
;
_journal_issue                   15
_journal_name_full               'Chemical science'
_journal_page_first              7636
_journal_page_last               7642
_journal_paper_doi               10.1039/d5sc09439a
_journal_volume                  17
_journal_year                    2026
_chemical_absolute_configuration rm
_chemical_formula_sum            'C15 H22 Cl5 In N4'
_chemical_formula_weight         550.43
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-09-16 deposited with the CCDC.	2026-02-16 downloaded from the CCDC.
;
_cell_angle_alpha                94.1920(10)
_cell_angle_beta                 90.9660(10)
_cell_angle_gamma                93.0330(10)
_cell_formula_units_Z            2
_cell_length_a                   6.83710(10)
_cell_length_b                   11.9389(2)
_cell_length_c                   12.7775(2)
_cell_measurement_reflns_used    27297
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.4890
_cell_measurement_theta_min      2.2370
_cell_volume                     1038.52(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 0.858
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.0457
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.858
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            46902
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.777
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.521
_diffrn_reflns_theta_min         2.255
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.788
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95841
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_description       needle
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.224
_refine_diff_density_min         -0.583
_refine_diff_density_rms         0.109
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   -0.05(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         10736
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0314
_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^)+(0.0277P)^2^+0.3567P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0656
_reflns_Friedel_coverage         0.810
_reflns_Friedel_fraction_full    0.962
_reflns_Friedel_fraction_max     0.695
_reflns_number_gt                9629
_reflns_number_total             10736
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5sc09439a2.cif
_cod_data_source_block           x
_cod_depositor_comments
'Adding full bibliography for 1576574--1576575.cif.'
_cod_database_code               1576574
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.775
_shelx_estimated_absorpt_t_max   0.870
_shelx_res_checksum              78090