Information card for entry 4067073

Structure parameters

• Formula: C25 H30 F12 N2 O P2 Ru S Te
• Calculated formula: C25 H30 F12 N2 O P2 Ru S Te
• SMILES: [Ru]1234567([Te](c8ccc(OC)cc8)CC[NH]2Cc2ccccc2[S]1C)[cH]1[cH]3[cH]4[cH]5[cH]6[cH]71.CC#N.[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: 10.182 ± 0.002 Å
• b: 11.275 ± 0.002 Å
• c: 15.173 ± 0.003 Å
• α: 96.173 ± 0.003°
• β: 98.567 ± 0.003°
• γ: 109.155 ± 0.003°
• Cell volume: 1604.1 ± 0.5 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: 0.0551
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No