Information card for entry 4077517

Structure parameters

• Formula: C58 H59 F3 N5 O7 P3 Ru S2
• Calculated formula: C58 H51 F3 N5 O7 P3 Ru S2
• SMILES: [Ru]12([P](CC(C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)Cc1ccc(S(=O)(=O)[O-])cc1)(c1ccccc1)c1ccccc1)([N]#CC)([N]#CC)[N]#CC.C(F)(F)(F)S(=O)(=O)[O-].N#CC.N#CC.O
• Title of publication: Preparation, Characterization, and Performance of the Supported Hydrogen-Bonded Ruthenium Catalyst [(sulphos)Ru(NCMe)3](OSO2CF3)/SiO2. Comparisons with Analogous Homogeneous and Aqueous-Biphase Catalytic Systems in the Hydrogenation of Benzylideneacetone and Benzonitrile
• Authors of publication: Bianchini, Claudio; Dal Santo, Vladimiro; Meli, Andrea; Oberhauser, Werner; Psaro, Rinaldo; Vizza, Francesco
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 2433
• a: 13.154 ± 0.008 Å
• b: 15.008 ± 0.003 Å
• c: 29.868 ± 0.006 Å
• α: 90 ± 0.005°
• β: 90.84 ± 0.05°
• γ: 90 ± 0.005°
• Cell volume: 5896 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections: 0.2152
• Weighted residual factors for significantly intense reflections: 0.1755
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No