Information card for entry 7027464

Structure parameters

• Chemical name: Tris(3-hydroxy-2(1H)-pyridonate)aluminium(III)
• Formula: C15 H9 Al N3 O6
• Calculated formula: C15 H9 Al N3 O6
• SMILES: c12c(ccc[nH]2)O[Al]23([O]=1)([O]=c1c(ccc[nH]1)O2)[O]=c1c(ccc[nH]1)O3
• Title of publication: Complexation of aluminium(III) with 3-hydroxy-2(1H )-pyridinone. Solution state study and crystal structure of tris(3-hydroxy-2(1H )-pyridinonato)aluminium(III)
• Authors of publication: Di Marco, Valerio B.; Bombi, G. Giorgio; Tapparo, Andrea; Powell, Annie K.; Anson, Christopher E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2427
• a: 9.684 ± 0.0014 Å
• b: 9.684 ± 0.0014 Å
• c: 29.523 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2397.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.116
• Goodness-of-fit parameter for all reflections: 1.149
• Goodness-of-fit parameter for significantly intense reflections: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No