Information card for entry 2210382

Structure parameters

• Common name: BAlq-13
• Chemical name: Bis(2-methyl-8-quinolinolato)(2,6-diphenylphenolato)aluminium(III)
• Formula: C38 H29 Al N2 O3
• Calculated formula: C38 H29 Al N2 O3
• SMILES: [Al]12(Oc3c4[n]1c(ccc4ccc3)C)(Oc1c3[n]2c(ccc3ccc1)C)Oc1c(cccc1c1ccccc1)c1ccccc1
• Title of publication: Bis(2,6-diphenylphenolato)(2-methylquinolin-8-olato)aluminium(III)
• Authors of publication: Rajeswaran, Manju; Place, David W.; Sathiosatham, Muhunthan; Deaton, Joseph C.; Brown, Christopher T.; Lenhart, William C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2216 - m2217
• a: 15.4526 ± 0.0003 Å
• b: 13.0266 ± 0.0004 Å
• c: 15.757 ± 0.0003 Å
• α: 90°
• β: 108.205 ± 0.002°
• γ: 90°
• Cell volume: 3013.04 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes