Information card for entry 1573904

Structure parameters

• Formula: C72 H108 Au2 N4 O4
• Calculated formula: C72 H108 Au2 N4 O4
• 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: 12.7986 ± 0.0005 Å
• b: 15.2227 ± 0.0005 Å
• c: 18.1384 ± 0.0007 Å
• α: 90°
• β: 101.827 ± 0.001°
• γ: 90°
• Cell volume: 3458.9 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0318
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No