Information card for entry 4065791

Structure parameters

• Formula: C16 H28 F6 N O2 Os P
• Calculated formula: C16 H28 F6 N O2 Os P
• SMILES: [OsH]1234567([NH](CC[c]81[cH]2[cH]3[cH]4[cH]58)C)[CH](O)=[C]6(C7)C.[P](F)(F)(F)(F)(F)[F-].O1CCCC1
• 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: 12.497 ± 0.002 Å
• b: 19.794 ± 0.004 Å
• c: 8.1791 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No