Information card for entry 4076209

Structure parameters

• Formula: C22 H34 B F4 O Os P
• Calculated formula: C22 H34 B F4 O Os P
• SMILES: [OsH]12345([P](C(C)C)(C(C)C)C(C)C)([O]=C(c6c1cccc6)C)[cH]1[cH]2[cH]3[cH]4[cH]51.[B](F)(F)(F)[F-]
• Title of publication: Reduction and C(sp2)−H Bond Activation of Ketones Promoted by a Cyclopentadienyl-Osmium- Dihydride-Dihydrogen Complex
• Authors of publication: Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5989
• a: 8.9899 ± 0.0008 Å
• b: 11.2125 ± 0.001 Å
• c: 11.9126 ± 0.0011 Å
• α: 78.686 ± 0.002°
• β: 82.282 ± 0.001°
• γ: 78.124 ± 0.001°
• Cell volume: 1146.71 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No