Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.
Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian; Journal of the American Chemical Society 140 (2018) 13115–13124; doi:10.1021/jacs.8b09205

data_4133275
_publ_section_title
;
 Realization of Thermally Stimulated Delayed Phosphorescence in
 Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting
 Organic Light-Emitting Devices.
;
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13115
_journal_page_last               13124
_journal_paper_doi               10.1021/jacs.8b09205
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C43 H50 Au N3'
_chemical_formula_sum            'C43 H50 Au N3'
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 98.369(4)
_cell_angle_gamma                104.009(3)
_cell_formula_units_Z            2
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_cell_length_c                   15.779(2)
_cell_measurement_reflns_used    347
_cell_measurement_temperature    149(2)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      149(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 VENTURE FIXED-CHI PHOTON 100 CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_min         2.014
_diffrn_source                   'I\mS HB micro-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_description       needles
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.371
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.027
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_exptl_transmission_factor_min   0.3699
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_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         6350
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_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0215
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0132P)^2^+0.7273P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0426
_refine_ls_wR_factor_ref         0.0444
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5685
_reflns_number_total             6350
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja8b09205_si_003.cif
_cod_data_source_block           mo_CHEM0372_a
_cod_original_cell_volume        1807.1(4)
_cod_database_code               4133275
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.311
_shelx_estimated_absorpt_t_max   0.897
_shelx_res_checksum              41113
_shelx_hkl_checksum              12836