Information card for entry 1557838

Structure parameters

• Formula: C72 H102 Al2 N4
• Calculated formula: C72 H102 Al2 N4
• Title of publication: Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
• Authors of publication: Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 4817 - 4827
• a: 13.5339 ± 0.0006 Å
• b: 13.5131 ± 0.0006 Å
• c: 18.1559 ± 0.0006 Å
• α: 90°
• β: 100.481 ± 0.002°
• γ: 90°
• Cell volume: 3265 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No