Information card for entry 4065790

Structure parameters

• Formula: C12 H18 F6 N3 Os P
• Calculated formula: C12 H19 F5.94 N3 Os P
• Title of publication: Redox Isomerization of Allylic Alcohols Catalyzed by Osmium and Ruthenium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Amine or Phosphoramidite Group: X-ray Structure of an η3-1-Hydroxyallyl-Metal-Hydride Intermediate
• Authors of publication: Batuecas, María; Esteruelas, Miguel A.; García-Yebra, Cristina; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2166
• a: 7.2245 ± 0.0019 Å
• b: 13.747 ± 0.004 Å
• c: 16.602 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1648.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No