Information card for entry 4332150

Structure parameters

• Formula: C13 H14 O7 W
• Calculated formula: C13 H14 O7 W
• SMILES: [W]12(OC(=CC(=[O]1)C)C)([O]=C(C=C(O2)C)C)(C#[O])(C#[O])C#[O]
• 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: 15.261 ± 0.008 Å
• b: 15.416 ± 0.008 Å
• c: 12.883 ± 0.008 Å
• α: 90°
• β: 94.87 ± 0.02°
• γ: 90°
• Cell volume: 3020 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No