High red luminescence intensity under sunlight exposure of a PMMA polymer doped with a tetrakis Eu3+ β-diketonate complex containing a benzimidazolium counterion
Assunção, Israel P.; Costa, Israel F.; Blois, Lucca; Felinto, Maria Claudia F. C.; Deflon, Victor M.; Ando, Rômulo A.; Malta, Oscar L.; Brito, Hermi F.; RSC Advances 15 (2025) 435–445; doi:10.1039/D4RA06451H

data_7249739
_publ_section_title
;
 High red luminescence intensity under sunlight exposure of a PMMA polymer
 doped with a tetrakis Eu3+ \b-diketonate complex containing a
 benzimidazolium counterion
;
_journal_issue                   1
_journal_name_full               'RSC Advances'
_journal_page_first              435
_journal_page_last               445
_journal_paper_doi               10.1039/D4RA06451H
_journal_volume                  15
_journal_year                    2025
_chemical_formula_sum            'C41 H29 Eu F12 N2 O9 S4'
_chemical_formula_weight         1201.86
_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
;
2024-08-28 deposited with the CCDC.	2024-11-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.5740(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2374(4)
_cell_length_b                   23.0415(9)
_cell_length_c                   19.8634(8)
_cell_measurement_reflns_used    9604
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.24
_cell_volume                     4534.7(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            59993
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.412
_diffrn_reflns_theta_min         1.379
_exptl_absorpt_coefficient_mu    1.673
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.760
_exptl_crystal_description       prism
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.032
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     614
_refine_ls_number_reflns         9297
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0199P)^2^+9.2947P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0616
_refine_ls_wR_factor_ref         0.0645
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8012
_reflns_number_total             9297
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ra06451h2.cif
_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7249739
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.670
_shelx_estimated_absorpt_t_max   0.952
_shelx_res_checksum              14715
_shelx_hkl_checksum              63944