Information card for entry 4066259

Structure parameters

• Formula: C8 H11 O P
• Calculated formula: C8 H11 O P
• SMILES: P(=O)(c1ccccc1)(C)C
• Title of publication: Ni(acac)2/Phosphine as an Excellent Precursor of Nickel(0) for Catalytic Systems†
• Authors of publication: Ananikov, Valentine P.; Gayduk, Konstantin A.; Starikova, Zoya A.; Beletskaya, Irina P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5098
• a: 6.9726 ± 0.0004 Å
• b: 11.1807 ± 0.0006 Å
• c: 21.3756 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1666.41 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No