Information card for entry 4068570

Structure parameters

• Formula: C38 H46 Cl4 N4 O6 Ru2 Zn
• Calculated formula: C38 H46 Cl4 N4 O6 Ru2 Zn
• SMILES: [Ru]123([Cl][Zn]4([Cl]1)[Cl][Ru]15([Cl]4)([N]4=C(OCC4(C)C)c4c5c(c(cc4C)C)C4=[N]1C(CO4)(C)C)C#[O])([N]1=C(OCC1(C)C)c1c3c(c(cc1C)C)C1=[N]2C(CO1)(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: 8.32 ± 0.007 Å
• b: 10.286 ± 0.009 Å
• c: 26.63 ± 0.02 Å
• α: 97.657 ± 0.017°
• β: 91.08 ± 0.02°
• γ: 105.23 ± 0.02°
• Cell volume: 2176 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No