Information card for entry 2200252

Structure parameters

• Common name: tris(acetylacetonato)-vanadium(III) (alpha form)
• Chemical name: Tris(2,4-pentanedionato-O,O')-vanadium(III) (alpha form)
• Formula: C15 H21 O6 V
• Calculated formula: C15 H21 O6 V
• SMILES: C1(C)=CC(C)=[O][V]23(O1)(OC(=CC(C)=[O]2)C)OC(=CC(C)=[O]3)C
• Title of publication: α-Form of tris(2,4-pentanedionato-<i>O</i>,<i>O</i>')vanadium(III), re-refinement against new intensity data
• Authors of publication: Filgueiras, Carlos A. L.; Horn Jr, Adolfo; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: m157 - m158
• a: 15.4466 ± 0.0007 Å
• b: 16.6228 ± 0.0008 Å
• c: 13.5016 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3466.7 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes