Information card for entry 1518339

Structure parameters

• Formula: C15 H12 Au N O2
• Calculated formula: C15 H12 Au N O2
• SMILES: [Au](C#[N]c1ccccc1)c1ccc(cc1)C(=O)OC
• Title of publication: Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds
• Authors of publication: Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1491
• a: 7.3807 ± 0.0012 Å
• b: 11.755 ± 0.002 Å
• c: 15.94 ± 0.003 Å
• α: 102.912 ± 0.005°
• β: 92.025 ± 0.005°
• γ: 100.595 ± 0.005°
• Cell volume: 1320.8 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.2496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No