Information card for entry 2206240

Structure parameters

• Chemical name: α-Tris(2,4-pentanedionato-κ^2^O,O')vanadium(III)
• Formula: C15 H21 O6 V
• Calculated formula: C15 H21 O6 V
• SMILES: [V]123(OC(=CC(=[O]1)C)C)([O]=C(C=C(O2)C)C)OC(=CC(=[O]3)C)C
• Title of publication: The α polymorph of racemic tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')vanadium(III), redetermined at 120 K
• Authors of publication: Kavitha, S. Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1326 - m1328
• a: 13.392 ± 0.0007 Å
• b: 16.4043 ± 0.0006 Å
• c: 15.1901 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3337.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.156
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1347
• 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: No
• Has Fobs: Yes