Information card for entry 4109864

Structure parameters

• Formula: C24 H25 N O5 W
• Calculated formula: C24 H25 N O5 W
• SMILES: [W]12(C#[O])([N](=Cc3ccccc3)c3ccccc3)(OC(=CC(=[O]1)C)C)OC(=CC(=[O]2)C)C
• Title of publication: Tungsten(II) Monocarbonyl Bis(acetylacetonate): A Fourteen-Electron Docking Site for η2Four-Electron Donor Ligands
• Authors of publication: Andrew B. Jackson; Cynthia K. Schauer; Peter S. White; Joseph L. Templeton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10628 - 10629
• a: 8.9096 ± 0.0002 Å
• b: 39.8596 ± 0.0009 Å
• c: 13.1378 ± 0.0003 Å
• α: 90°
• β: 97.651 ± 0.001°
• γ: 90°
• Cell volume: 4624.13 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No