Enhanced stability and tunable photoluminescence in Mn<sup>2+</sup>-doped one-dimensional hybrid lead halide perovskites for high-performance white light emitting diodes.
Zhang, Jie; Sun, Kai-Qi; Zhang, Zhong-Hui; Wang, Ri-Cheng; Lin, Zi-Han; Lei, Xiao-Wu; Wang, Yu-Yin; Ju, Ping; He, Yuan-Chun; RSC advances 13 (2023) 19039–19045; doi:10.1039/d3ra02813e

data_7246948
_publ_section_title
;
 Enhanced stability and tunable photoluminescence in Mn<sup>2+</sup>-doped
 one-dimensional hybrid lead halide perovskites for high-performance white
 light emitting diodes.
;
_journal_issue                   28
_journal_name_full               'RSC advances'
_journal_page_first              19039
_journal_page_last               19045
_journal_paper_doi               10.1039/d3ra02813e
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'C12 H38 Cl10 N6 O Pb2'
_chemical_formula_weight         1051.36
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-03-29 deposited with the CCDC.	2023-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.1950(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.4649(6)
_cell_length_b                   17.1481(8)
_cell_length_c                   13.2881(6)
_cell_measurement_temperature    296(2)
_cell_volume                     3050.3(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_unetI/netI     0.0282
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            36111
_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         27.547
_diffrn_reflns_theta_min         1.521
_exptl_absorpt_coefficient_mu    11.919
_exptl_crystal_density_diffrn    2.289
_exptl_crystal_F_000             1976
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.505
_refine_diff_density_min         -0.995
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       0.00048(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         7033
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0196P)^2^+5.0730P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0488
_refine_ls_wR_factor_ref         0.0511
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5991
_reflns_number_total             7033
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ra02813e2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7246948
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.329
_shelx_estimated_absorpt_t_max   0.382
_shelx_res_checksum              79973