Information card for entry 1573902

Structure parameters

• Formula: C56 H72 Au2 N4
• Calculated formula: C56 H72 Au2 N4
• SMILES: C1(N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)=[Au]C#C[Au]=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C
• 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: 9.3309 ± 0.0004 Å
• b: 12.6622 ± 0.0005 Å
• c: 14.2997 ± 0.0006 Å
• α: 72.396 ± 0.001°
• β: 72.255 ± 0.001°
• γ: 82.124 ± 0.002°
• Cell volume: 1531.89 ± 0.11 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0477
• 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