Information card for entry 4129067

Structure parameters

• Formula: C44 H64 Al Li N4 O4
• Calculated formula: C44 H64 Al Li N4 O4
• Title of publication: Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.
• Authors of publication: Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 11.577 ± 0.0003 Å
• b: 15.551 ± 0.0004 Å
• c: 22.4542 ± 0.0006 Å
• α: 90°
• β: 100.411 ± 0.003°
• γ: 90°
• Cell volume: 3975.97 ± 0.18 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• 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: 0.138
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2694
• Weighted residual factors for all reflections included in the refinement: 0.3094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No