Information card for entry 4065658

Structure parameters

• Formula: C25 H40 B F4 O P Ru
• Calculated formula: C25 H40 B F4 O P Ru
• SMILES: [RuH]12345([P](C6CCCCC6)(C6CCCCC6)C6CCCCC6)([cH]6[cH]1[cH]2[cH]3[cH]4[cH]56)C#[O].[B](F)(F)(F)[F-]
• Title of publication: Intermolecular Dehydrative Coupling Reaction of Arylketones with Cyclic Alkenes Catalyzed by a Well-Defined Cationic Ruthenium-Hydride Complex: A Novel Ketone Olefination Method via Vinyl C-H Bond Activation.
• Authors of publication: Yi, Chae S.; Lee, Do W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1883 - 1885
• a: 12.2618 ± 0.0007 Å
• b: 14.8597 ± 0.0008 Å
• c: 15.2625 ± 0.0009 Å
• α: 110.465 ± 0.002°
• β: 97.596 ± 0.002°
• γ: 92.709 ± 0.002°
• Cell volume: 2569.4 ± 0.3 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: 0.0483
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No