Information card for entry 7011329

Structure parameters

• Common name: Al(maltolate)3.0.5H2O
• Formula: C18 H16 Al O9.5
• Calculated formula: C18 H16 Al O9.5
• SMILES: [Al]123(OC4=C(OC=CC4=[O]1)C)(OC1C(=[O]2)C=COC=1C)OC1C(=[O]3)C=COC=1C.O
• Title of publication: Rates of solvent exchange in aqueous aluminium(iii)‒maltolate complexes
• Authors of publication: Yu, Ping; Phillips, Brian L.; Olmstead, Marilyn M.; Casey, William H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2119
• a: 18.3169 ± 0.0007 Å
• b: 11.5723 ± 0.0005 Å
• c: 17.6072 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3732.2 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.114
• 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: No