Information card for entry 1573908

Structure parameters

• Formula: C38 H51 Au N2 O4 Si
• Calculated formula: C38 H51 Au N2 O4 Si
• SMILES: [Au](=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)C(=C(\C(=O)OC)C#C[Si](C)(C)C)\C(=O)OC
• Title of publication: Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.
• Authors of publication: Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 4684 - 4694
• a: 12.7366 ± 0.0005 Å
• b: 15.5654 ± 0.0006 Å
• c: 19.9574 ± 0.0007 Å
• α: 90°
• β: 92.718 ± 0.002°
• γ: 90°
• Cell volume: 3952.1 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No