Information card for entry 7229371

Structure parameters

• Chemical name: Carbonyl(trihydroborato)(hydruro)[bis(2-diisopropylphosphinoethyl)amido] ruthenium(II)
• Formula: C17 H40 B N O P2 Ru
• Calculated formula: C17 H40 B N O P2 Ru
• SMILES: [RuH]123([P](CC[N]2(CC[P]1(C(C)C)C(C)C)[BH2][H]3)(C(C)C)C(C)C)C#[O]
• Title of publication: Solvent- and Base-Free Synthesis of Wax Esters from Fatty Acid Methyl Esters by Consecutive One-Pot, Two-Step Catalysis.
• Authors of publication: Nguyen, Duc Hanh; Raffa, Guillaume; Morin, Yohann; Desset, Simon Laurent; Capet, Frédéric; nardello-rataj, veronique; Dumeignil, Franck Yves; Gauvin, Régis
• Journal of publication: Green Chem.
• Year of publication: 2017
• a: 14.1736 ± 0.0005 Å
• b: 15.6168 ± 0.0007 Å
• c: 20.0291 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4433.4 ± 0.3 ų
• Cell temperature: 99.98 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No