Information card for entry 4109865

Structure parameters

• Formula: C18 H18 Cl2 O6 W
• Calculated formula: C18 H18 Cl2 O6 W
• SMILES: [W]123(C#[O])(O[C@@H]1c1c(Cl)cccc1Cl)([O]=C(C=C(O2)C)C)[O]=C(C=C(O3)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: 7.7644 ± 0.0004 Å
• b: 8.5412 ± 0.0004 Å
• c: 29.7831 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1975.13 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No