Information card for entry 4070459

Structure parameters

• Formula: C39.5 H43 Cl P2 Ru
• Calculated formula: C39.5 H43 Cl P2 Ru
• Title of publication: Ruthenium-Diphosphine-Catalyzed Allylation of Phenols: Agem-Dialkyl-Type Effect Induces High Selectivity toward O-Allylation
• Authors of publication: van Rijn, Jimmy A.; Siegler, Maxime A.; Spek, Anthony L.; Bouwman, Elisabeth; Drent, Eite
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 7006
• a: 15.227 ± 0.0006 Å
• b: 14.1527 ± 0.0008 Å
• c: 18.0689 ± 0.0007 Å
• α: 90°
• β: 119.047 ± 0.003°
• γ: 90°
• Cell volume: 3404.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No