Information card for entry 4067070

Structure parameters

• Formula: C24.5 H27 F12 N1.5 O P2 Ru S Te
• Calculated formula: C24.5 H27 F12 N1.5 O P2 Ru S Te
• SMILES: C1C[N]2=Cc3ccccc3[S](C)[Ru]345672([cH]2[cH]3[cH]4[cH]5[cH]6[cH]72)[Te]1c1ccc(cc1)OC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 21.614 ± 0.004 Å
• b: 11.1952 ± 0.0019 Å
• c: 27.619 ± 0.005 Å
• α: 90°
• β: 109.987 ± 0.003°
• γ: 90°
• Cell volume: 6280.5 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No