Information card for entry 7224031

Structure parameters

• Formula: C17 H24 Al N3
• Calculated formula: C17 H24 Al N3
• SMILES: [Al]1(C)(C)[N]2(Cc3cccn13)CCN(CC2)c1ccccc1
• Title of publication: Synthesis, Characterization and Reactivity Study of Aluminum Compounds Incorporating Bi- and Tri-dentate Pyrrole-piperazine Ligands
• Authors of publication: Huang, Jui-Hsien; Hu, Ting-Jia; Wu, Ming-Chun; Wu, Shih-Sheng; Hu, Ching-Han; Lin, Chia-Her; Datta, Amitabha; Lin, Tzung-Han
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.9611 ± 0.0004 Å
• b: 11.238 ± 0.0003 Å
• c: 8.7019 ± 0.0003 Å
• α: 90°
• β: 101.676 ± 0.002°
• γ: 90°
• Cell volume: 1624.34 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No