Information card for entry 4074811

Structure parameters

• Formula: C23 H35 Os P
• Calculated formula: C23 H35 Os P
• SMILES: [Os]123456([P](C(C)C)(C(C)C)C(C)C)([cH]7[cH]4[cH]3[cH]2[cH]17)C[CH]5=[CH]6c1ccccc1
• Title of publication: Preparation of Half-Sandwich Osmium-Allyl Complexes by Consecutive C−C Bond Formation and C−H Bond Activation Reactions
• Authors of publication: Esteruelas, Miguel A.; González, Ana I.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 693
• a: 9.0672 ± 0.0014 Å
• b: 10.3723 ± 0.0016 Å
• c: 11.6987 ± 0.0018 Å
• α: 99.221 ± 0.002°
• β: 95.381 ± 0.002°
• γ: 105.264 ± 0.002°
• Cell volume: 1037 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No