Lanthanide 9-anthracenate: solution processable emitters for efficient purely NIR emitting host-free OLEDs
Valentina V. Utochnikova; Alena S. Kalyakina; Ivan S. Bushmarinov; Andrey A. Vashchenko; Lukasz Marciniak; Anna M. Kaczmarek; Rik Van Deun; Stefan Brase; Natalia P. Kuzmina; Journal of Materials Chemistry C 4 (2016) 9848–9855; doi:10.1039/C6TC03586H

data_7235052
_publ_section_title
;
 Lanthanide 9-anthracenate: solution processable emitters for efficient
 purely NIR emitting host-free OLEDs
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              9848
_journal_page_last               9855
_journal_paper_doi               10.1039/C6TC03586H
_journal_volume                  4
_journal_year                    2016
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C45 H27 Eu O6'
_chemical_formula_sum            'C45 H27 Eu O6'
_chemical_formula_weight         815.63
_chemical_name_mineral           eu_antr3
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3 :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   28.0947(13)
_cell_length_b                   28.0947(13)
_cell_length_c                   3.71428(16)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    298
_cell_measurement_theta_max      40
_cell_measurement_theta_min      2
_cell_volume                     2538.9(2)
_computing_cell_refinement
;
TOPAS 4.2 (Coelho, 2003; Bruker, 2009)
;
_computing_data_collection
;
Bruker XRD Commander 2.6 (Bruker, 2007)
;
_computing_data_reduction
;
TOPAS 4.2 (Coelho, 2003; Bruker, 2009)
;
_computing_molecular_graphics
;
OLEX2 1.2 (Dolomanov et al., 2009, 2)
;
_computing_publication_material
;
PLATON (Spek, 2003)
;
_computing_structure_refinement
;
TOPAS 4.2 (Coelho, 2003; Bruker, 2009)
;
_computing_structure_solution
;
FOX 1.9.7.0 (Favre-Nicolin, Cerny, 2002)
;
_diffrn_ambient_temperature      298
_diffrn_detector
;
1D linear
;
_diffrn_detector_type
;
Bruker LynxEye compound silicon strip 1D linear detector 
;
_diffrn_measurement_device_type
;
Bruker D8 Advance Vario
;
_diffrn_radiation_monochromator
;
Ge 111
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.540596
_diffrn_source
;
sealed X-ray tube
;
_diffrn_source_target            Cu
_exptl_absorpt_coefficient_mu    13.693
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_F_000             1224
_pd_block_id                     eu_antr3
_pd_char_colour                  white
_pd_char_particle_morphology     round
_pd_meas_2theta_range_inc        0.01047880
_pd_meas_2theta_range_max        80.00629280
_pd_meas_2theta_range_min        5.02000000
_pd_meas_number_of_points        7157
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.01047880
_pd_proc_2theta_range_max        80.00629280
_pd_proc_2theta_range_min        5.02000000
_pd_proc_ls_background_function
;
20th order Chebyshev polynomial 
;
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.01345
_pd_proc_ls_prof_wR_expected     0.00724
_pd_proc_ls_prof_wR_factor       0.01774
_pd_proc_wavelength              1.540596
_pd_spec_mounting
; 
deposited on sticky tape 
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   flat_sheet
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.448
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     79
_refine_ls_number_restraints     49
_refine_ls_R_I_factor            0.006
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_details     1/Y~i~
_refine_ls_weighting_scheme      calc
_cod_data_source_file            J-Mater-Chem-C-2016-4-9848.cif
_cod_data_source_block           eu_antr3
_cod_original_cell_volume        2539.0(3)
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               7235052