Information card for entry 7224854

Structure parameters

• Chemical name: methanol-cis-dioxo-(2-oxobenzaldehyde isonicotinylhydrazonato)tungsten(VI)
• Formula: C15 H15 N3 O6 W
• Calculated formula: C15 H15 N3 O6 W
• SMILES: C1(=N[N]2=Cc3c(c(ccc3)OC)O[W]2(O1)(=O)(=O)[OH]C)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: 6.782 ± 0.0003 Å
• b: 30.3344 ± 0.0016 Å
• c: 7.9111 ± 0.0005 Å
• α: 90°
• β: 93.335 ± 0.005°
• γ: 90°
• Cell volume: 1624.78 ± 0.15 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: 0.0372
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No