Information card for entry 7016223

Structure parameters

• Formula: C18 H36 Al N3
• Calculated formula: C18 H36 Al N3
• SMILES: [Al]1(CC)(CC)[NH](Cc2ccc(CNC(C)(C)C)n12)C(C)(C)C
• Title of publication: Aluminium complexes containing bidentate and symmetrical tridentate pincer type pyrrolyl ligands: synthesis, reactions and ring opening polymerization.
• Authors of publication: Huang, Wen-Yen; Chuang, Sheng-Jie; Chunag, Nien-Tsu; Hsiao, Ching-Sheng; Datta, Amitabha; Chen, Shau-Jiun; Hu, Ching-Han; Huang, Jui-Hsien; Lee, Ting-Yu; Lin, Chia-Her
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 28
• Pages of publication: 7423 - 7433
• a: 10.4122 ± 0.0007 Å
• b: 17.7071 ± 0.0011 Å
• c: 10.7696 ± 0.0007 Å
• α: 90°
• β: 102.188 ± 0.007°
• γ: 90°
• Cell volume: 1940.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0945
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No