Information card for entry 7105355

Structure parameters

• Formula: C18 H36 Au P
• Calculated formula: C18 H36 Au P
• SMILES: [Au](C#CC(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Cationic Au(I) alkyne complexes: synthesis, structure and reactivity.
• Authors of publication: Hooper, Thomas N; Green, Michael; Russell, Christopher A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 2313 - 2315
• a: 12.9328 ± 0.0008 Å
• b: 13.8471 ± 0.0009 Å
• c: 11.1422 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1995.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.779
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No