Information card for entry 4072999

Structure parameters

• Formula: C47 H56 B Os P
• Calculated formula: C47 H56 B Os P
• SMILES: [OsH]123456([P](C(C)C)(C(C)C)C(C)C)([CH](=[CH]1C2)c1ccccc1)[cH]1[cH]3[cH]4[cH]5[cH]61.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: One-Pot Dehydrogenative Addition of Isopropyl to Alkynes Promoted by Osmium: Formation of γ-(η3-Allyl)-α-Alkenylphosphine Derivatives Starting from a Dihydride−Dihydrogen−Triisopropylphosphine Complex
• Authors of publication: Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2193
• a: 11.2407 ± 0.0016 Å
• b: 12.5147 ± 0.0018 Å
• c: 13.4682 ± 0.0019 Å
• α: 87.048 ± 0.002°
• β: 89.732 ± 0.002°
• γ: 87.597 ± 0.002°
• Cell volume: 1890.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No