Information card for entry 4134886

Structure parameters

• Formula: C35 H70 Al K N2 O8 Si2
• Calculated formula: C35 H70 Al K N2 O8 Si2
• 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: 15.8845 ± 0.0006 Å
• b: 19.0232 ± 0.0007 Å
• c: 28.713 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8676.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No