Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences in the luminescence spectra and concentration quenching of Eu<sup>3+</sup> luminescence.
Mortensen, Sabina Svava; Sørensen, Thomas Just; Dalton transactions (Cambridge, England : 2003) 55 (2026) 4988–4996; doi:10.1039/d5dt02952j

data_7720272
_publ_section_title
;
 Eu<sup>3+</sup> doped Y<sup>3+</sup> dipicolinate crystals: differences
 in the luminescence spectra and concentration quenching of
 Eu<sup>3+</sup> luminescence.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4988
_journal_page_last               4996
_journal_paper_doi               10.1039/d5dt02952j
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C42 H30 N6 Na2 O30 Y2, 6(H2 O), 4(C H6 N3)'
_chemical_formula_sum            'C46 H66 N18 Na2 O36 Y2'
_chemical_formula_weight         1670.96
_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   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2026-01-05
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2026-01-07 deposited with the CCDC.	2026-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                89.612(3)
_cell_angle_beta                 74.984(3)
_cell_angle_gamma                77.739(3)
_cell_formula_units_Z            1
_cell_length_a                   11.7224(9)
_cell_length_b                   11.8824(9)
_cell_length_c                   12.3528(8)
_cell_measurement_reflns_used    9677
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      36.712
_cell_measurement_theta_min      2.975
_cell_volume                     1621.8(2)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'Bruker APEX 5'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0707
_diffrn_reflns_av_unetI/netI     0.0501
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            136513
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         37.785
_diffrn_reflns_theta_min         2.576
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    1.907
_exptl_absorpt_correction_T_max  0.7486
_exptl_absorpt_correction_T_min  0.3446
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1444 before and 0.0767 after correction.
The Ratio of minimum to maximum transmission is 0.4603.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_description       prism
_exptl_crystal_F_000             856
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.753
_exptl_crystal_size_mid          0.704
_exptl_crystal_size_min          0.274
_refine_diff_density_max         0.886
_refine_diff_density_min         -1.124
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       0.0133(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         17221
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0319
_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^)+(0.0389P)^2^+0.2892P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0773
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15408
_reflns_number_total             17221
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt02952j2.cif
_cod_data_source_block           mo_d8v6096_0m
_cod_depositor_comments
'Adding full bibliography for 7720268--7720277.cif.'
_cod_database_code               7720272
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_max   0.623
_shelx_estimated_absorpt_t_min   0.328
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C18(H18), C19(H19), C10(H10), C11(H11), C12(H12), C5(H5), C4(H4),
 C3(H3)
2.b X=CH2 refined with riding coordinates:
 N4(H4A,H4B), N6(H6A,H6B), N5(H5A,H5B), N7(H7A,H7B), N9(H9A,H9B), N8(H8A,H8B)
;
_shelx_res_checksum              23282
_shelx_hkl_checksum              23081
_olex2_submission_special_instructions 'No special instructions were received'