Information card for entry 2204728

Structure parameters

• Chemical name: bis(1,3-diphenyl-1,3-propanedionato-κ^2^O,O')oxo(pyridine-κN)vanadium(IV)
• Formula: C35 H27 N O5 V
• Calculated formula: C35 H27 N O5 V
• SMILES: [V]12(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(=O)[n]1ccccc1
• Title of publication: The first adduct of bis(1,3-diphenyl-1,3-propanedionato)oxovanadium(IV)
• Authors of publication: Meštrović, Ernest; Bučar, Dejan-Krešimir; Halasz, Ivan; Stilinović, Vladimir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1920 - m1922
• a: 15.291 ± 0.004 Å
• b: 18.973 ± 0.004 Å
• c: 9.831 ± 0.002 Å
• α: 90°
• β: 97.92 ± 0.018°
• γ: 90°
• Cell volume: 2824.9 ± 1.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0646
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes