Information card for entry 2218829

Structure parameters

• Chemical name: 2-(2-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato-κ^3^O,N,O')aluminate(III) trihydrate
• Formula: C24 H21 Al N4 O11
• Calculated formula: C24 H21 Al N4 O11
• SMILES: [Al]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.O.O.O.[nH+]1ccccc1c1ncccc1
• Title of publication: 2-(2-Pyridyl)pyridinium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')aluminate(III) trihydrate
• Authors of publication: Soleimannejad, Janet; Aghabozorg, Hossein; Mohammadzadeh, Yaghoub; Hooshmand, Shabnam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m870 - m871
• a: 9.3744 ± 0.0013 Å
• b: 10.9039 ± 0.0016 Å
• c: 13.005 ± 0.002 Å
• α: 106.335 ± 0.007°
• β: 98.889 ± 0.007°
• γ: 97.521 ± 0.007°
• Cell volume: 1238.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes