Realizing efficient broadband near-infrared emission and multimode photoluminescence switching <i>via</i> coordination structure modulation in Sb<sup>3+</sup>-doped 0D organic metal chlorides.
Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo; Materials horizons 11 (2024) 2230–2241; doi:10.1039/d3mh01962d

data_1571019
_publ_section_title
;
 Realizing efficient broadband near-infrared emission and multimode
 photoluminescence switching <i>via</i> coordination structure modulation
 in Sb<sup>3+</sup>-doped 0D organic metal chlorides.
;
_journal_issue                   9
_journal_name_full               'Materials horizons'
_journal_page_first              2230
_journal_page_last               2241
_journal_paper_doi               10.1039/d3mh01962d
_journal_volume                  11
_journal_year                    2024
_chemical_formula_sum            'C40 H40 Cd Cl4 P2'
_chemical_formula_weight         836.86
_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
;
2023-10-13 deposited with the CCDC.	2024-02-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.272(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2339(14)
_cell_length_b                   21.044(2)
_cell_length_c                   16.5713(19)
_cell_measurement_temperature    296(2)
_cell_volume                     3948.0(7)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.980
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0196
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11782
_diffrn_reflns_point_group_measured_fraction_full 0.742
_diffrn_reflns_point_group_measured_fraction_max 0.705
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.611
_diffrn_reflns_theta_min         2.656
_exptl_absorpt_coefficient_mu    0.932
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_F_000             1704
_refine_diff_density_max         0.616
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.067
_refine_ls_abs_structure_details
;
 Flack x determined using 1610 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.028(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         6450
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0313
_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^)+(0.0406P)^2^+0.7613P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0771
_reflns_Friedel_coverage         0.435
_reflns_Friedel_fraction_full    0.485
_reflns_Friedel_fraction_max     0.428
_reflns_number_gt                5755
_reflns_number_total             6450
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3mh01962d2.cif
_cod_data_source_block           230521hp2_0m
_cod_depositor_comments
'Adding full bibliography for 1571018--1571019.cif.'
_cod_original_cell_volume        3948.0(8)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               1571019
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              73948