Information card for entry 7224856

Structure parameters

• Chemical name: bis(acetylacetonato)dioxotungsten(VI) toluene solvate (2/1)
• Formula: C13.5 H18 O6 W
• Calculated formula: C13.5 H18 O6 W
• 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: 7.3569 ± 0.0004 Å
• b: 16.2269 ± 0.0007 Å
• c: 13.502 ± 0.0011 Å
• α: 90°
• β: 95.619 ± 0.006°
• γ: 90°
• Cell volume: 1604.12 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No