Information card for entry 4068066

Structure parameters

• Formula: C25 H26 Cl2 N2 O5 W
• Calculated formula: C25 H26 Cl2 N2 O5 W
• SMILES: [W]12(C#[O])([O]=C(C=C(O1)C)C)([O]=C(C=C(O2)C)C)=NN=C(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Bis(acetylacetonate) Tungsten(IV) Complexes Containing a π-Basic Diazoalkane or Oxo Ligand
• Authors of publication: Khosla, Chetna; Jackson, Andrew B.; White, Peter S.; Templeton, Joseph L.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 987
• a: 9.995 ± 0.0005 Å
• b: 10.7278 ± 0.0005 Å
• c: 13.1644 ± 0.0006 Å
• α: 96.237 ± 0.003°
• β: 92.891 ± 0.003°
• γ: 109.044 ± 0.003°
• Cell volume: 1320.84 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No