Information card for entry 7716777

Structure parameters

• Formula: C54 H72 Al2 N4 O0.06
• Calculated formula: C54 H72 Al2 N4 O0.055
• 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: 11.397 ± 0.002 Å
• b: 19.267 ± 0.003 Å
• c: 23.219 ± 0.002 Å
• α: 90°
• β: 102.8 ± 0.02°
• γ: 90°
• Cell volume: 4971.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No