Information card for entry 4070534

Structure parameters

• Formula: C25 H33 Au Br P
• Calculated formula: C25 H33 Au Br P
• SMILES: [Au](Br)[P](c1ccccc1c1ccccc1C)(C1CCCCC1)C1CCCCC1
• Title of publication: Dialkylbiarylphosphine Complexes of Gold(I) Halides. Gold−Aryl π-Interactions in the Solid State
• Authors of publication: Partyka, David V.; Robilotto, Thomas J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 28
• a: 23.054 ± 0.004 Å
• b: 10.1873 ± 0.0017 Å
• c: 19.95 ± 0.003 Å
• α: 90°
• β: 92.877 ± 0.003°
• γ: 90°
• Cell volume: 4679.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.454
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No