Information card for entry 4329899

Structure parameters

• Formula: C21 H36 Au P
• Calculated formula: C21 H36 Au P
• SMILES: [Au](C#CC)[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: 17.478 ± 0.003 Å
• b: 7.5496 ± 0.0014 Å
• c: 17.326 ± 0.003 Å
• α: 90°
• β: 118.546 ± 0.002°
• γ: 90°
• Cell volume: 2008.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No