Information card for entry 7229057

Structure parameters

• Common name: [Ru(MeCN)3(tripphos)](CF3SO3)2
• Formula: C49 H48 F6 N3 O6 P3 Ru S2
• Calculated formula: C49 H48 F6 N3 O6 P3 Ru S2
• Title of publication: [Ru(triphos)(CH3CN)3](OTf)2 as a homogeneous catalyst for the hydrogenation of biomass derived 2,5-hexanedione and 2,5-dimethyl-furan in aqueous acidic medium.
• Authors of publication: Latifi, Elnaz; Marchese, Austin; Hulls, Margaret; Soldatov, Dmitriy V.; Schlaf, Marcel
• Journal of publication: Green Chem.
• Year of publication: 2017
• a: 16.0271 ± 0.0003 Å
• b: 13.2323 ± 0.0003 Å
• c: 24.2112 ± 0.0005 Å
• α: 90°
• β: 91.014 ± 0.002°
• γ: 90°
• Cell volume: 5133.8 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No