Information card for entry 7226852

Structure parameters

• Formula: C38 H76 Al2 N6 O2
• Calculated formula: C38 H76 Al2 N6 O2
• SMILES: C1(CCCCC1)N1C(=[N]([Al]21(C)[O]([Al]1([N](C3CCCCC3)=C(N(CC)CC)N1C1CCCCC1)([O]2C)C)C)C1CCCCC1)N(CC)CC
• 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: 27.518 ± 0.006 Å
• b: 12.706 ± 0.003 Å
• c: 12.306 ± 0.003 Å
• α: 90°
• β: 90.849 ± 0.004°
• γ: 90°
• Cell volume: 4302.2 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No