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_7707989
_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         'C45 H18 Eu F15 N2 O7, 2(C4 H8 O)'
_chemical_formula_sum            'C53 H34 Eu F15 N2 O9'
_chemical_formula_weight         1279.78
_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   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                90.00
_cell_angle_beta                 92.3140(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8114(6)
_cell_length_b                   15.8899(8)
_cell_length_c                   28.6502(15)
_cell_measurement_reflns_used    7652
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      2.28
_cell_volume                     4917.9(4)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0999
_diffrn_reflns_av_unetI/netI     0.0789
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            57591
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.91
_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    1.394
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0751 before and 0.0642 after correction.
The Ratio of minimum to maximum transmission is 0.8590.
The \l/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2544
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.094
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     722
_refine_ls_number_reflns         12218
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0287P)^2^+0.3577P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0684
_refine_ls_wR_factor_ref         0.0825
_reflns_number_gt                7349
_reflns_number_total             12218
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1dt02269e2.cif
_cod_data_source_block           a_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7707986--7707989.cif.'
_cod_database_code               7707989
_olex2_refinement_description
;
1.a Rotating group:
 O5(H5A,H5B)
1.b Secondary CH2 refined with riding coordinates:
 C56(H56A,H56B), C62(H62A,H62B), C75(H75A,H75B), C76(H76A,H76B), C78(H78A,
 H78B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B)
1.c Aromatic/amide H refined with riding coordinates:
 C26(H26), C30(H30), C31(H31), C33(H33), C44(H44), C49(H49), C51(H51),
 C54(H54), C55(H55), C57(H57), C59(H59), C60(H60), C64(H64), C71(H71), C72(H72),
  C73(H73)
;
_olex2_submission_special_instructions 'No special instructions were received'