From erbium(iii) to samarium(iii): generalized photomodulation of NIR to red lanthanide luminescence with a DTE ligand and its versatile role in the quenching processes.
Phan, Tuan-Anh; Gendron, Frédéric; Kiraev, Salauat; Galangau, Olivier; Fréroux, Yoann; Al Sabea, Hassan; Mittelheisser, Cédric; Dallon, Marie; Bouchet, Aude; Riobé, François; Métivier, Remi; Sliwa, Michel; Le Guennic, Boris; Maury, Olivier; Banyasz, Akos; Marekha, Bogdan; Norel, Lucie; Rigaut, Stéphane; Chemical science 16 (2025) 22504–22516; doi:10.1039/d5sc07174g

data_1576089
_publ_section_title
;
 From erbium(iii) to samarium(iii): generalized photomodulation of NIR to
 red lanthanide luminescence with a DTE ligand and its versatile role in
 the quenching processes.
;
_journal_issue                   47
_journal_name_full               'Chemical science'
_journal_page_first              22504
_journal_page_last               22516
_journal_paper_doi               10.1039/d5sc07174g
_journal_volume                  16
_journal_year                    2025
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C87 H50 Dy F27 N2 O6 S6'
_chemical_formula_sum            'C87 H50 Dy F27 N2 O6 S6'
_chemical_formula_weight         2087.15
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2024-11-14 deposited with the CCDC.	2025-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                84.532(5)
_cell_angle_beta                 82.784(4)
_cell_angle_gamma                77.108(4)
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_cell_length_c                   22.734(3)
_cell_measurement_reflns_used    9825
_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      2.3357
_cell_measurement_wavelength     0.710730
_cell_volume                     4649.0(10)
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2014)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2014)'
_computing_molecular_graphics
;
   'PLATON, A.L.Spek, Acta Cryst. 2009, D65, 148-155'
;
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'CRYSCALC (T. Roisnel, local program, ver. 2023)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
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_diffrn_measurement_method       'rotation images'
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_diffrn_orient_matrix_UB_22      -0.0251638
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_diffrn_orient_matrix_UB_32      -0.0499394
_diffrn_orient_matrix_UB_33      0.0221450
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0502
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_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            56719
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_min         1.918
_diffrn_source_current           1.00
_diffrn_source_power             1500.0
_diffrn_source_voltage           50.00
_exptl_absorpt_coefficient_mu    1.043
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.678
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_description       stick
_exptl_crystal_F_000             2078
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.244
_refine_diff_density_min         -2.151
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         17626
_refine_ls_number_restraints     479
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0947
_refine_ls_R_factor_gt           0.0786
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0993P)^2^+28.1165P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1976
_refine_ls_wR_factor_ref         0.2111
_reflns_number_gt                14634
_reflns_number_total             17626
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d5sc07174g2.cif
_cod_data_source_block           3Dyccc
_cod_depositor_comments          'Adding full bibliography for 1576089.cif.'
_cod_database_code               1576089
_shelx_res_checksum              16202
_shelx_fab_checksum              34394