Information card for entry 4133277

Structure parameters

• Formula: C39 H40 Au F2 N3
• Calculated formula: C39 H40 Au F2 N3
• SMILES: [Au]12(c3c(c4nc(nc([n]14)c1c2cc(cc1)C(C)(C)C)c1ccc(C(C)(C)C)cc1)ccc(c3)C(C)(C)C)c1cc(F)cc(F)c1
• 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: 7.3969 ± 0.0004 Å
• b: 22.2469 ± 0.0011 Å
• c: 20.6523 ± 0.001 Å
• α: 90°
• β: 98.442 ± 0.001°
• γ: 90°
• Cell volume: 3361.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No