Information card for entry 4133935

Structure parameters

• Formula: C42.5 H39 Au Cl N3
• Calculated formula: C42 H38 Au N3
• Title of publication: Thermally Stimulated Delayed Phosphorescence (TSDP)-Based Gold(III) Complexes of Tridentate Pyrazine-Containing Pincer Ligand with Wide Emission Color Tunability and Their Application in Organic Light-Emitting Devices
• Authors of publication: Leung, Ming-Yi; Tang, Man-Chung; Cheung, Wai-Lung; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.0495 ± 0.001 Å
• b: 14.571 ± 0.0011 Å
• c: 19.6685 ± 0.0016 Å
• α: 86.267 ± 0.003°
• β: 86.395 ± 0.003°
• γ: 76.885 ± 0.003°
• Cell volume: 3630.1 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No