Information card for entry 7716776

Structure parameters

• Formula: C87 H121 Al2 N6 Na
• Calculated formula: C87 H121 Al2 N6 Na
• Title of publication: Reducing Hybrid Ligand based Alane and Chasing Aluminium(I): Dialane and unusual transient Dialumene
• Authors of publication: Wang, Xiaobai; Ligorio, Raphael F.; Rüttger, Franziska; Krengel, David; Graw, Nico; Herbst-Irmer, Regine; Krawczuk, Anna; Stalke, Dietmar
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 13.176 ± 0.002 Å
• b: 22.183 ± 0.002 Å
• c: 28.27 ± 0.003 Å
• α: 87.9 ± 0.02°
• β: 77.9 ± 0.02°
• γ: 78.68 ± 0.03°
• Cell volume: 7922 ± 1.9 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: 0.1011
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No