Information card for entry 1573903

Structure parameters

• Formula: C32.5 H42 Au N4 S
• Calculated formula: C32.5 H42 Au N4 S
• 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: 10.7024 ± 0.0006 Å
• b: 27.593 ± 0.0015 Å
• c: 12.0247 ± 0.0006 Å
• α: 90°
• β: 92.657 ± 0.002°
• γ: 90°
• Cell volume: 3547.2 ± 0.3 ų
• Cell temperature: 194 K
• Ambient diffraction temperature: 194 K
• Number of distinct elements: 5
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No