Identifying lifetime as one of the key parameters responsible for the low brightness of lanthanide-based OLEDs.
Utochnikova, Valentina V.; Aslandukov, Andrey N.; Vashchenko, Andrey A.; Goloveshkin, Alexander S.; Alexandrov, Alexey A.; Grzibovskis, Raitis; Bünzli, Jean-Claude G; Dalton transactions (Cambridge, England : 2003) 50 (2021) 12806–12813; doi:10.1039/d1dt02269e

data_7707987
_publ_section_title
;
 Identifying lifetime as one of the key parameters responsible for the low
 brightness of lanthanide-based OLEDs.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12806
_journal_page_last               12813
_journal_paper_doi               10.1039/d1dt02269e
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety
'2(C24 H16 N2), C60 H50 Eu2 N4 O12, 2(C2 H5 O)'
_chemical_formula_sum            'C112 H92 Eu2 N8 O14'
_chemical_formula_weight         2077.86
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2021-06-14
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-06-14 deposited with the CCDC.	2021-08-09 downloaded from the CCDC.
;
_cell_angle_alpha                97.899(5)
_cell_angle_beta                 99.011(5)
_cell_angle_gamma                105.648(4)
_cell_formula_units_Z            1
_cell_length_a                   9.849(2)
_cell_length_b                   10.323(2)
_cell_length_c                   24.422(5)
_cell_measurement_reflns_used    3108
_cell_measurement_temperature    120
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.19
_cell_volume                     2319.0(8)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XH  (Sheldrick, 2008)'
_computing_structure_solution    'XS n/a (Sheldrick, 2008)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1103
_diffrn_reflns_av_unetI/netI     0.1584
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            26763
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.72
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.413
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6239
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0939 before and 0.0660 after correction. The Ratio of minimum to maximum transmission is 0.8362. The \l/2 correction factor is 0.0015.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1058
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.205
_refine_diff_density_min         -4.336
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     618
_refine_ls_number_reflns         11424
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.1275
_refine_ls_R_factor_gt           0.0798
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0950P)^2^+1.8368P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1817
_refine_ls_wR_factor_ref         0.2020
_reflns_number_gt                7472
_reflns_number_total             11424
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1dt02269e2.cif
_cod_data_source_block           a_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7707986--7707989.cif.'
_cod_original_cell_volume        2318.9(8)
_cod_database_code               7707987
_olex2_refinement_description
;
1.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C35(H35), C48(H48), C69(H69), C77(H77), C80(H80), C85(H85), C89(H89),
 C91(H91), C93(H93), C98(H98), C110(H110), C112(H112), C114(H114), C119(H119),
 C129(H129), C11(H11), C24(H24), C44(H44), C52(H52), C56(H56), C65(H65),
 C70(H70), C74(H74), C76(H76), C78(H78), C84(H84), C87(H87), C95(H95), C96(H96),
  C97(H97), C113(H113), C3(H3)
1.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C12(H12A,H12B,H12C), C81(H81A,H81B,H81C), C7(H7A,H7B,H7C)
1.c Idealised tetrahedral OH refined as rotating group:
 O23(H23)
;
_olex2_submission_special_instructions 'No special instructions were received'