Information card for entry 4109863

Structure parameters

• Formula: C18 H17 Cl2 N O5 W
• Calculated formula: C18 H17 Cl2 N O5 W
• SMILES: [W]123(C#[O])(N=C1c1c(Cl)cccc1Cl)(OC(=CC(=[O]2)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: 27.7307 ± 0.0011 Å
• b: 9.6208 ± 0.0004 Å
• c: 14.9968 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4001 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No