Information card for entry 4067069

Structure parameters

• Formula: C22 H23 F12 N P2 Ru S2
• Calculated formula: C22 H23 F12 N P2 Ru S2
• SMILES: [Ru]1234567([S](c8ccccc8)CC[N]2=Cc2ccccc2[S]1C)[cH]1[cH]3[cH]4[cH]5[cH]6[cH]71.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 9.391 ± 0.003 Å
• b: 10.564 ± 0.003 Å
• c: 15.151 ± 0.005 Å
• α: 96.954 ± 0.006°
• β: 105.272 ± 0.006°
• γ: 105.829 ± 0.006°
• Cell volume: 1364.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No