Information card for entry 7719999

Structure parameters

• Formula: C20 H29 Br3 Ru2
• Calculated formula: C20 H29 Br3 Ru2
• Title of publication: Dinuclear p-Cymene Ruthenium Hydrido Complexes as Active Catalysts for the Hydrogenation of Levulinic Acid to γ-Valerolactone with Formic Acid as the Hydrogen Source
• Authors of publication: Tay, Boon Ying; Wang, Cun; Tan, Davin; Dighe, Shashikant U.; Stubbs, Ludger P.; Gholap, Sandeep Suryabhan; Huynh, Han Vinh
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 13.961 ± 0.003 Å
• b: 16.166 ± 0.003 Å
• c: 19.464 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4392.9 ± 1.5 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No