Information card for entry 4329897

Structure parameters

• Formula: C26 H40 Au O P
• Calculated formula: C26 H40 Au O P
• SMILES: [Au](c1ccc(cc1)C(=O)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations
• Authors of publication: David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8394 - 8401
• a: 11.3384 ± 0.0008 Å
• b: 16.1535 ± 0.0011 Å
• c: 13.7362 ± 0.001 Å
• α: 90°
• β: 104.374 ± 0.001°
• γ: 90°
• Cell volume: 2437.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No