Information card for entry 4122257

Structure parameters

• Formula: C40 H40 Au O4 P Si
• Calculated formula: C40 H40 Au O4 P Si
• SMILES: C(=C(/C(=O)OC)[Au][Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(/C(=O)OC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Mechanisms of syn-Insertion of Alkynes and Allenes into Gold-Silicon Bonds: A Comprehensive Experimental/Theoretical Study.
• Authors of publication: Joost, Maximilian; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 29
• Pages of publication: 10373 - 10382
• a: 9.9038 ± 0.0004 Å
• b: 10.2229 ± 0.0004 Å
• c: 19.6958 ± 0.0009 Å
• α: 83.143 ± 0.002°
• β: 86.242 ± 0.002°
• γ: 65.473 ± 0.002°
• Cell volume: 1800.92 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0165
• Residual factor for significantly intense reflections: 0.0148
• Weighted residual factors for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections included in the refinement: 0.0366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No