Information card for entry 7226855

Structure parameters

• Formula: C36 H44 Al N5
• Calculated formula: C36 H44 Al N5
• SMILES: [Al]1([N](c2c(cccc2C)C)=C(N(CC)CC)N(c2ccccc2)/C(=N/c2c(cccc2C)C)N1c1ccccc1)(C)C
• Title of publication: Guanidinatoaluminum Complexes: Synthesis, Crystal Structures and Reactivities
• Authors of publication: Han, HongFei; Guo, Zhiqiang; Zhang, ShaoFeng; Li, Jie; Wei, Xuehong
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.464 ± 0.003 Å
• b: 20.316 ± 0.004 Å
• c: 13.201 ± 0.003 Å
• α: 90°
• β: 94.897 ± 0.004°
• γ: 90°
• Cell volume: 3330.5 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No