Information card for entry 4115358

Structure parameters

• Formula: C27 H40 Au P
• Calculated formula: C27 H40 Au P
• Title of publication: Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties
• Authors of publication: Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14696 - 14706
• a: 12.062 ± 0.002 Å
• b: 16.782 ± 0.003 Å
• c: 12.667 ± 0.002 Å
• α: 90°
• β: 97.83 ± 0.02°
• γ: 90°
• Cell volume: 2540.2 ± 0.7 ų
• Cell temperature: 301.2 K
• Ambient diffraction temperature: 301.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0493
• Goodness-of-fit parameter for significantly intense reflections: 1.231
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No