Information card for entry 7224853

Structure parameters

• Chemical name: ethanol-cis-dioxo-(2-oxobenzaldehyde isonicotinylhydrazonato)tungsten(VI)
• Formula: C16 H17 N3 O6 W
• Calculated formula: C16 H17 N3 O6 W
• SMILES: C1(=N[N]2=Cc3c(c(ccc3)OC)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: 7.2563 ± 0.0004 Å
• b: 10.4696 ± 0.0005 Å
• c: 12.6154 ± 0.0005 Å
• α: 113.702 ± 0.004°
• β: 96.023 ± 0.004°
• γ: 97.909 ± 0.004°
• Cell volume: 855.53 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No