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_7720270
_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 Eu0.671 N6 Na2 O30 Y1.329, 6(H2 O), 4(C H6 N3)'
_chemical_formula_sum            'C46 H66 Eu0.67 N18 Na2 O36 Y1.33'
_chemical_formula_weight         1713.21
_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                89.751(2)
_cell_angle_beta                 75.010(2)
_cell_angle_gamma                77.732(2)
_cell_formula_units_Z            1
_cell_length_a                   11.7306(5)
_cell_length_b                   11.9014(6)
_cell_length_c                   12.3547(6)
_cell_measurement_reflns_used    9592
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      33.123
_cell_measurement_theta_min      2.514
_cell_volume                     1625.76(13)
_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 0.991
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0924
_diffrn_reflns_av_unetI/netI     0.0439
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            136854
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.297
_diffrn_reflns_theta_min         2.971
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    1.948
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.3656
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1381 before and 0.0926 after correction.
The Ratio of minimum to maximum transmission is 0.4898.
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    1.750
_exptl_crystal_description       'rect. Prism'
_exptl_crystal_F_000             872
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          1.144
_exptl_crystal_size_mid          0.947
_exptl_crystal_size_min          0.528
_refine_diff_density_max         1.910
_refine_diff_density_min         -1.639
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         12452
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0338
_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^)+(0.0348P)^2^+1.8000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0823
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11013
_reflns_number_total             12452
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt02952j2.cif
_cod_data_source_block           mo_d8v6167_0m
_cod_depositor_comments
'Adding full bibliography for 7720268--7720277.cif.'
_cod_database_code               7720270
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_max   0.426
_shelx_estimated_absorpt_t_min   0.214
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Shared sites
{Y1, Eu1}
3. Uiso/Uaniso restraints and constraints
Uanis(Y1) = Uanis(Eu1)
4. Others
 Sof(Eu1)=1-FVAR(1)
 Sof(Y1)=FVAR(1)
5.a Free rotating group:
 O2W(H2WA), O1W(H1WA,H1WB)
5.b Rotating group:
 O4W(H4WA), O6W(H6WA,H6WB), O5W(H5WA,H5WB)
5.c Aromatic/amide H refined with riding coordinates:
 C11(H11), C18(H18), C17(H17), C10(H10), C12(H12), C19(H19), C3(H3), C5(H5),
 C4(H4)
5.d X=CH2 refined with riding coordinates:
 N9(H9A,H9B), N8(H8A,H8B), N4(H4A,H4B), N6(H6A,H6B), N7(H7A,H7B), N5(H5A,H5B)
;
_shelx_res_checksum              640
_shelx_hkl_checksum              16985
_olex2_submission_special_instructions 'No special instructions were received'