Information card for entry 4073821

Structure parameters

• Formula: C46 H44 Cl8 N2 P2 Ru
• Calculated formula: C45.589 H43.178 Cl7.178 N2 P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](c3c(C[NH]2Cc2[n]1cccc2)cccc3)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl
• Title of publication: [RuCl2(PPh3)(PNN‘)] Complexes as Efficient Catalysts in Transfer Hydrogenation of Ketones
• Authors of publication: Del Zotto, Alessandro; Baratta, Walter; Ballico, Maurizio; Herdtweck, Eberhardt; Rigo, Pierluigi
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5636
• a: 37.2956 ± 0.001 Å
• b: 9.9079 ± 0.0003 Å
• c: 24.8352 ± 0.0005 Å
• α: 90°
• β: 90.938 ± 0.002°
• γ: 90°
• Cell volume: 9175.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No