Information card for entry 4070532

Structure parameters

• Formula: C24 H31 Au Br P
• Calculated formula: C24 H31 Au Br P
• SMILES: [Au](Br)[P](c1ccccc1c1ccccc1)(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: 9.7079 ± 0.0006 Å
• b: 10.1259 ± 0.0006 Å
• c: 12.1991 ± 0.0007 Å
• α: 110.563 ± 0.001°
• β: 96.051 ± 0.001°
• γ: 93.479 ± 0.001°
• Cell volume: 1110.36 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No