Information card for entry 4134885

Structure parameters

• Formula: C41.5 H74 Al2 N2 Si4
• Calculated formula: C41.5 H74 Al2 N2 Si4
• Title of publication: Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.
• Authors of publication: Koshino, Kota; Kinjo, Rei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.1403 ± 0.0006 Å
• b: 12.5843 ± 0.0007 Å
• c: 16.9735 ± 0.0008 Å
• α: 82.54 ± 0.002°
• β: 77.864 ± 0.002°
• γ: 63.527 ± 0.002°
• Cell volume: 2267.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No