Information card for entry 4349207

Structure parameters

• Formula: C29 H24 Au2 N2 O
• Calculated formula: C29 H23.75 Au2 N2 O
• SMILES: [Au](c1ccccc1)C#[N]c1ccccc1c1ccccc1[N]#C[Au]c1ccccc1.O1C[C@@H]1C
• Title of publication: Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.
• Authors of publication: Seki, Tomohiro; Jin, Mingoo; Ito, Hajime
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12309 - 12320
• a: 13.9136 ± 0.0009 Å
• b: 14.8769 ± 0.0009 Å
• c: 15.0369 ± 0.0009 Å
• α: 78.416 ± 0.003°
• β: 65.9278 ± 0.0014°
• γ: 63.373 ± 0.005°
• Cell volume: 2539.8 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2274
• Weighted residual factors for all reflections included in the refinement: 0.251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No