Information card for entry 4112451

Structure parameters

• Formula: C50 H19 Cl2 F20 I O2 P2 Ru
• Calculated formula: C50 H19 Cl2 F20 I O2 P2 Ru
• SMILES: [Ru]12345(I)([P](Oc6ccc7ccccc7c6c6c(O[P]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)ccc1ccccc61)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]2[cH]3[cH]4[cH]51.C(Cl)Cl
• Title of publication: [CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies
• Authors of publication: Valérie Alezra; Gérald Bernardinelli; Clémence Corminboeuf; Urban Frey; E. Peter Kündig; André E. Merbach; Christophe M. Saudan; Florian Viton; Jacques Weber
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4843 - 4853
• a: 13.038 ± 0.001 Å
• b: 16.812 ± 0.001 Å
• c: 22.199 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4865.9 ± 0.6 ų
• Cell temperature: 200 K
• Number of distinct elements: 8
• 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: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.81
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No