Information card for entry 7224855

Structure parameters

• Chemical name: ethanol-cis-dioxo-(syalicilyaldehide isonicotinylhydrazone)tungsten(VI)
• Formula: C15 H15 N3 O5 W
• Calculated formula: C15 H15 N3 O5 W
• SMILES: C1(=N[N]2=Cc3c(cccc3)O[W]2(O1)(=O)(=O)[OH]CC)c1ccncc1
• Title of publication: Dioxotungsten(VI) complexes with isoniazid-related hydrazones as (pre)catalysts for olefin epoxidation: solvent and ligand substituent effects
• Authors of publication: Vrdoljak, Visnja; Pisk, Jana; Prugovečki, Biserka; Agustin, Dominique; Novak, Predrag; Matković-Čalogović, Dubravka
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.1744 ± 0.0002 Å
• b: 12.5034 ± 0.0002 Å
• c: 15.3736 ± 0.0003 Å
• α: 90°
• β: 97.032 ± 0.002°
• γ: 90°
• Cell volume: 1559.48 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No