Information card for entry 4133275

Structure parameters

• Formula: C43 H50 Au N3
• Calculated formula: C43 H50 Au N3
• SMILES: [Au]12(c3cc(ccc3c3nc(nc([n]23)c2c1cc(cc2)C(C)(C)C)c1ccc(C(C)(C)C)cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.
• Authors of publication: Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 40
• Pages of publication: 13115 - 13124
• a: 10.6434 ± 0.0014 Å
• b: 11.5563 ± 0.0014 Å
• c: 15.779 ± 0.002 Å
• α: 101.439 ± 0.003°
• β: 98.369 ± 0.004°
• γ: 104.009 ± 0.003°
• Cell volume: 1807 ± 0.4 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No