Information card for entry 2222123

Structure parameters

• Chemical name: Bis[μ-2-(2<i>H</i>-benzotriazol-2-yl)-4- methylphenolato]bis[dimethylaluminium(III)]
• Formula: C30 H32 Al2 N6 O2
• Calculated formula: C30 H32 Al2 N6 O2
• SMILES: [Al]12([n]3c4ccccc4nn3c3c([O]1[Al]1([O]2c2c(cc(cc2)C)n2n1c1ccccc1[n]2)(C)C)ccc(c3)C)(C)C
• Title of publication: Bis[μ-2-(2<i>H</i>-benzotriazol-2-yl)-4-methylphenolato]bis[dimethylaluminium(III)]
• Authors of publication: Li, Chen-Yu; Lin, Chia-Her; Ko, Bao-Tsan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m670
• a: 7.422 ± 0.0004 Å
• b: 9.712 ± 0.0005 Å
• c: 11.6331 ± 0.0006 Å
• α: 112.517 ± 0.002°
• β: 94.824 ± 0.003°
• γ: 109.574 ± 0.002°
• Cell volume: 707.79 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes