Information card for entry 7229056

Structure parameters

• Common name: Bis(1,1,1-tris(diphenylphosphinomethyl)ethane)-tris(mu2-hydroxo)-di-ruthenium(II) truflate methanol water acetonitrile solvate
• Formula: C88 H99.54 F3 N O10.77 P6 Ru2 S
• Calculated formula: C88 H81 F3 N O10.77 P6 Ru2 S
• 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: 13.49822 ± 0.00011 Å
• b: 23.26985 ± 0.00016 Å
• c: 27.6329 ± 0.0002 Å
• α: 90°
• β: 91.6656 ± 0.0008°
• γ: 90°
• Cell volume: 8675.87 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No