Information card for entry 4068571

Structure parameters

• Formula: C32 H30 N2 O5 Ru
• Calculated formula: C32 H30 N2 O5 Ru
• SMILES: [Ru]123([N]4=C(OC[C@@H]4c4ccccc4)c4c3c(c(cc4C)C)C3=[N]1[C@H](CO3)c1ccccc1)(OC(=CC(=[O]2)C)C)C#[O]
• Title of publication: New Bis(oxazolinyl)phenyl−Ruthenium(II) Complexes and Their Catalytic Activity for Enantioselective Hydrogenation and Transfer Hydrogenation of Ketones
• Authors of publication: Ito, Jun-ichi; Ujiie, Satoshi; Nishiyama, Hisao
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 630
• a: 11.9056 ± 0.0006 Å
• b: 13.1663 ± 0.0006 Å
• c: 18.7063 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2932.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0248
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No