Information card for entry 2015834

Structure parameters

• Common name: Aluminiumacetylacetonate
• Chemical name: Tris(pentane-2,4-dionato-κ^2^O,O')aluminium(III)
• Formula: C15 H21 Al O6
• Calculated formula: C15 H21 Al O6
• SMILES: [Al]123([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]3)C)C
• Title of publication: α-Tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')aluminium(III) at 240, 210, 180, 150 and 110K: a new δ phase at 110 K
• Authors of publication: Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m129 - m134
• a: 22.7424 ± 0.0011 Å
• b: 7.4467 ± 0.0002 Å
• c: 29.6165 ± 0.0013 Å
• α: 90°
• β: 103.221 ± 0.002°
• γ: 90°
• Cell volume: 4882.8 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes