Information card for entry 7107373

Structure parameters

• Formula: C66 H53 Cl9 F6 P2 Rh Sb
• Calculated formula: C66 H53 Cl9 F6 P2 Rh Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Rh]123([P]4(Cc5ccc6ccccc6c5c5c(C4)ccc4ccccc54)c4ccccc4)([P]4(Cc5ccc6ccccc6c5c5c(C4)ccc4ccccc54)c4ccccc4)[CH]4=[CH]1C1[CH]2=[CH]3C4C1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Captured at last: a catalyst-substrate adduct and a Rh-dihydride solvate in the asymmetric hydrogenation by a Rh-monophosphine catalyst
• Authors of publication: Ilya D. Gridnev; Elisabetta Alberico; Serafino Gladiali
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2186
• a: 11.173 ± 0.0013 Å
• b: 22.609 ± 0.003 Å
• c: 25.378 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6410.7 ± 1.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No