Information card for entry 4067072

Structure parameters

• Formula: C22 H25 F12 N P2 Ru S Se
• Calculated formula: C22 H25 F12 N P2 Ru S Se
• SMILES: c1ccccc1[Se]1CC[NH]2Cc3ccccc3[S](C)[Ru]3456712[cH]1[cH]7[cH]6[cH]5[cH]4[cH]31.[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: 9.6427 ± 0.0004 Å
• b: 20.2263 ± 0.0011 Å
• c: 13.7617 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2684 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No