Information card for entry 4066189

Structure parameters

• Formula: C32 H41 Al N2
• Calculated formula: C32 H41 Al N2
• SMILES: [Al]1(c2c(cccc2/C=N/c2c(cccc2CC)CC)C=[N]1c1c(cccc1CC)CC)(CC)CC
• Title of publication: Bis(imino)aryl NCN Pincer Aluminum and Zinc Complexes: Synthesis, Characterization, and Catalysis onl-Lactide Polymerization
• Authors of publication: Liu, Zhizhou; Gao, Wei; Zhang, Jingshun; Cui, Dongmei; Wu, Qiaolin; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5783
• a: 8.7523 ± 0.0004 Å
• b: 15.8948 ± 0.0008 Å
• c: 21.0373 ± 0.001 Å
• α: 90°
• β: 93.469 ± 0.001°
• γ: 90°
• Cell volume: 2921.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No