Information card for entry 7201854

Structure parameters

• Formula: C30 H31 Au N O P S
• Calculated formula: C30 H31 Au N O P S
• SMILES: [Au](SC(=N\c1ccc(C)cc1)/OC)[P](c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)C
• Title of publication: Electronic and steric control over Au⋯Au, C‒H⋯O and C‒H⋯π interactions in the crystal structures of mononuclear triarylphosphinegold(i) carbonimidothioates: R3PAu[SC(OMe)=NR′] for R = Ph, o-tol, m-tol or p-tol, and R′ = Ph, o-tol, m-tol, p-tol or C6H4NO2-4
• Authors of publication: Kuan, Fong Sheen; Yei Ho, Soo; Tadbuppa, Primjira P.; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 548
• a: 9.7125 ± 0.0008 Å
• b: 11.0257 ± 0.0009 Å
• c: 14.7644 ± 0.0012 Å
• α: 111.187 ± 0.002°
• β: 103.553 ± 0.002°
• γ: 97.693 ± 0.002°
• Cell volume: 1390.9 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No