Information card for entry 4329898

Structure parameters

• Formula: C23 H37 Au N P
• Calculated formula: C23 H37 Au N P
• SMILES: [Au](c1ccncc1)[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: 9.4903 ± 0.0007 Å
• b: 11.324 ± 0.0009 Å
• c: 11.6943 ± 0.0009 Å
• α: 76.596 ± 0.001°
• β: 67.719 ± 0.001°
• γ: 81.084 ± 0.001°
• Cell volume: 1128.1 ± 0.15 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: 0.0211
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No