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_7707986
_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         'C39 H37 Eu N2 O6'
_chemical_formula_sum            'C39 H37 Eu N2 O6'
_chemical_formula_weight         781.66
_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
_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                95.16(3)
_cell_angle_beta                 105.55(3)
_cell_angle_gamma                110.74(3)
_cell_formula_units_Z            2
_cell_length_a                   11.925(2)
_cell_length_b                   12.023(2)
_cell_length_c                   14.135(3)
_cell_measurement_reflns_used    7505
_cell_measurement_temperature    120
_cell_measurement_theta_max      33.01
_cell_measurement_theta_min      2.73
_cell_volume                     1787.0(8)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_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  0.0242
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            14155
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.279
_diffrn_reflns_theta_min         1.851
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.803
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_correction_T_min  0.6086
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0842 before and 0.0337 after correction.
The Ratio of minimum to maximum transmission is 0.8152.
The \l/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.830
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         8790
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0317P)^2^+0.6528P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0665
_refine_ls_wR_factor_ref         0.0691
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7886
_reflns_number_total             8790
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt02269e2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7707986--7707989.cif.'
_cod_database_code               7707986
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.737
_shelx_estimated_absorpt_t_min   0.571
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H16(0.02) H18(0.034) H19(0.03) H21(0.023) H22(0.023) H24(0.022)
 H28(0.02) H30(0.025) H31(0.028) H32(0.036) H35(0.04) H36(0.025) H38(0.027)
 H40A(0.048) H40B(0.048) H40C(0.048) H42(0.027) H44A(0.045) H44B(0.045)
 H44C(0.045) H47(0.037) H2(0.032) H3(0.027) H4A(0.038) H4B(0.038) H4C(0.038)
 H5A(0.037) H5B(0.037) H5C(0.037) H6(0.031) H7A(0.053) H7B(0.053) H7C(0.053)
 H8(0.033) H9A(0.042) H9B(0.042) H9C(0.042)
 Fixed X: H16(0.14379) H18(0.566046) H19(0.574499) H21(0.46607) H22(0.018649)
 H24(0.545336) H28(0.307589) H30(0.12564) H31(0.075986) H32(0.629333) H35(-
 0.310035) H36(-0.08361) H38(0.040908) H40A(-0.099158) H40B(-0.076582) H40C(-
 0.152259) H42(0.391143) H44A(-0.187921) H44B(-0.148625) H44C(-0.140626) H47(-
 0.191749) H2(-0.210521) H3(0.545783) H4A(0.299912) H4B(0.223102) H4C(0.359824)
 H5A(0.70133) H5B(0.690304) H5C(0.630705) H6(0.025319) H7A(0.344214)
 H7B(0.20996) H7C(0.281514) H8(0.444161) H9A(0.293635) H9B(0.429519) H9C(0.3076)
 Fixed Y: H16(1.45261) H18(1.643195) H19(1.561439) H21(1.080141) H22(1.036126)
 H24(1.23087) H28(1.468557) H30(1.524881) H31(0.763051) H32(1.704909)
 H35(1.384685) H36(1.168724) H38(0.633803) H40A(0.924457) H40B(0.858434)
 H40C(0.779286) H42(1.294578) H44A(0.684043) H44B(0.655284) H44C(0.788647)
 H47(1.591451) H2(1.247713) H3(1.06056) H4A(0.667875) H4B(0.677452)
 H4C(0.78093) H5A(1.062586) H5B(1.021275) H5C(0.922029) H6(1.660797)
 H7A(0.687539) H7B(0.579497) H7C(0.583894) H8(1.438219) H9A(1.012627)
 H9B(1.123209) H9C(1.145106)
 Fixed Z: H16(0.426472) H18(0.924246) H19(0.642477) H21(0.504647)
 H22(0.129505) H24(0.649795) H28(0.563234) H30(0.262986) H31(0.523047)
 H32(0.788476) H35(0.212818) H36(0.119431) H38(-0.019952) H40A(0.406673)
 H40B(0.499165) H40C(0.387724) H42(0.768637) H44A(0.036506) H44B(-0.059723)
 H44C(-0.023373) H47(0.22649) H2(0.223433) H3(0.113197) H4A(0.488023)
 H4B(0.56334) H4C(0.580597) H5A(0.343853) H5B(0.229749) H5C(0.29001)
 H6(0.250083) H7A(0.062978) H7B(0.004126) H7C(0.118591) H8(0.913836) H9A(-
 0.051141) H9B(-0.013501) H9C(-0.004684)
;
_olex2_submission_special_instructions 'No special instructions were received'