Information card for entry 2021710

Structure parameters

• Chemical name: Diaqua(6,6'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2-methoxyphenolato)-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^)aluminium(III) nitrate ethanol monosolvate
• Formula: C24 H28 Al N3 O10
• Calculated formula: C24 H28 Al N3 O10
• Title of publication: Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand
• Authors of publication: Truscott, James Charles; Conradie, Jeanet; Swart, Hendrik C.; Duvenhage, Mart-Marie; Visser, Hendrik Gideon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• a: 12.413 ± 0.005 Å
• b: 13.394 ± 0.005 Å
• c: 16.368 ± 0.005 Å
• α: 87.899 ± 0.005°
• β: 79.578 ± 0.005°
• γ: 66.635 ± 0.005°
• Cell volume: 2455.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes