Information card for entry 4067071

Structure parameters

• Formula: C22 H25 Cl F6 N O P Ru S2
• Calculated formula: C22 H25 Cl F6 N O P Ru S2
• SMILES: [Ru]1234567([S](c8ccccc8)CC[NH]2Cc2ccccc2[S]1C)[cH]1[cH]7[cH]6[cH]5[cH]4[cH]31.[P](F)(F)(F)(F)(F)[F-].[Cl-].O
• Title of publication: Transfer Hydrogenation of Ketones and Catalytic Oxidation of Alcohols with Half-Sandwich Complexes of Ruthenium(II) Designed Using Benzene and Tridentate (S, N, E) Type Ligands (E = S, Se, Te)
• Authors of publication: Singh, Pradhumn; Singh, Ajai K.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6433
• a: 9.753 ± 0.004 Å
• b: 11.004 ± 0.005 Å
• c: 14.276 ± 0.006 Å
• α: 78.704 ± 0.008°
• β: 83.444 ± 0.008°
• γ: 63.762 ± 0.007°
• Cell volume: 1347 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No