Information card for entry 7226853

Structure parameters

• Formula: C42 H60 Al2 N6 O2
• Calculated formula: C42 H60 Al2 N6 O2
• SMILES: c1(cccc(c1N1C(=[N]([Al]21([O](C)[Al]1([N](c3c(cccc3C)C)=C(N1c1ccccc1)N(CC)CC)([O]2C)C)C)c1ccccc1)N(CC)CC)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: 8.3047 ± 0.0003 Å
• b: 16.8422 ± 0.0006 Å
• c: 15.7434 ± 0.0006 Å
• α: 90°
• β: 103.654 ± 0.001°
• γ: 90°
• Cell volume: 2139.79 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No