Information card for entry 4104431

Structure parameters

• Common name: PCy3AuCl3
• Formula: C18 H33 Au Cl3 P
• Calculated formula: C18 H33 Au Cl3 P
• SMILES: [Au](Cl)(Cl)(Cl)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Halogen Photoreductive Elimination from Gold(III) Centers
• Authors of publication: Thomas S. Teets; Daniel G. Nocera
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7411 - 7420
• a: 17.2194 ± 0.0014 Å
• b: 13.7859 ± 0.0014 Å
• c: 18.2238 ± 0.0016 Å
• α: 90°
• β: 99.905 ± 0.002°
• γ: 90°
• Cell volume: 4261.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No