Information card for entry 1577085

Structure parameters

• Formula: C70 H100 Al2 D6 N4
• Calculated formula: C64 H86 Al2 D6 N4
• Title of publication: Aluminylation: a generalizable route towards low-valent aluminum under moderate conditions with controlled product nuclearity through precursor design
• Authors of publication: Reuel, Paris C.; Shandilya, Yogesh; Wattoo, M. Talha; Altman, Alison B.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 12.395 ± 0.0007 Å
• b: 10.6767 ± 0.0007 Å
• c: 24.4982 ± 0.0014 Å
• α: 90°
• β: 98.873 ± 0.003°
• γ: 90°
• Cell volume: 3203.2 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No