Information card for entry 7016221

Structure parameters

• Formula: C29 H50 Al N3 O
• Calculated formula: C29 H50 Al N3 O
• SMILES: [AlH]12([NH](C(C)(C)C)Cc3ccc(C[NH]2C(C)(C)C)n13)Oc1c(C(C)(C)C)cc(cc1C(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: 17.1684 ± 0.0003 Å
• b: 10.139 ± 0.0002 Å
• c: 16.2407 ± 0.0003 Å
• α: 90°
• β: 92.734 ± 0.001°
• γ: 90°
• Cell volume: 2823.81 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No