Information card for entry 4104432

Structure parameters

• Common name: PCy3AuBr3
• Formula: C18 H33 Au Br3 P
• Calculated formula: C18 H33 Au Br3 P
• SMILES: [P]([Au](Br)(Br)Br)(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: 14.7919 ± 0.0009 Å
• b: 16.4575 ± 0.001 Å
• c: 9.0123 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2193.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No