Information card for entry 7709254

Structure parameters

• Formula: C20 H23 Au I N3 O
• Calculated formula: C20 H23 Au I N3 O
• SMILES: [Au](I)=C1N(C(=C(N1CC)c1ccccc1)c1cnc(OC)cc1)CCC
• Title of publication: Investigations of the reactivity, stability and biological activity of halido (NHC)gold(I) complexes.
• Authors of publication: Goetzfried, Sina Katharina; Kapitza, Paul; Gallati, Caroline Marie; Nindl, Anna; Cziferszky, Monika; Hermann, Martin; Wurst, Klaus; Kircher, Brigitte; Gust, Ronald
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 1395 - 1406
• a: 10.2074 ± 0.0002 Å
• b: 16.3078 ± 0.0004 Å
• c: 12.9494 ± 0.0003 Å
• α: 90°
• β: 99.749 ± 0.001°
• γ: 90°
• Cell volume: 2124.43 ± 0.08 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No