Information card for entry 4068067

Structure parameters

• Formula: C17 H19 N O5 W
• Calculated formula: C17 H19 N O5 W
• SMILES: [W]123(=O)(N=C1c1ccccc1)([O]=C(C=C(O2)C)C)OC(=CC(=[O]3)C)C
• 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: 8.1887 ± 0.0003 Å
• b: 13.2225 ± 0.0005 Å
• c: 16.1876 ± 0.0006 Å
• α: 90°
• β: 95.298 ± 0.002°
• γ: 90°
• Cell volume: 1745.23 ± 0.11 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: 0.0525
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No