Information card for entry 4332151

Structure parameters

• Formula: C15 H23 O6 P W
• Calculated formula: C15 H23 O6 P W
• SMILES: [W]12([P](C)(C)C)(C#[O])(C#[O])([O]=C(C=C(O1)C)C)OC(=CC(=[O]2)C)C
• Title of publication: Bis(acetylacetonato)tricarbonyl Tungsten(II): A Convenient Precursor to Chiral Bis(acac) Tungsten(II) Complexes
• Authors of publication: Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6205 - 6213
• a: 12.891 ± 0.002 Å
• b: 9.4512 ± 0.0017 Å
• c: 15.714 ± 0.003 Å
• α: 90°
• β: 105.093 ± 0.003°
• γ: 90°
• Cell volume: 1848.5 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 2.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No