Information card for entry 4115362

Structure parameters

• Formula: C42 H46 Au P
• Calculated formula: C42 H46 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: 7.785 ± 0.002 Å
• b: 16.959 ± 0.003 Å
• c: 27.833 ± 0.006 Å
• α: 90°
• β: 95.44 ± 0.03°
• γ: 90°
• Cell volume: 3658.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No