Information card for entry 1565063

Structure parameters

• Formula: C83 H106 Al2 N4 O6 Re
• Calculated formula: C83 H106 Al2 N4 O6 Re
• Title of publication: Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation
• Authors of publication: Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 13.5551 ± 0.0002 Å
• b: 15.5294 ± 0.0003 Å
• c: 36.6963 ± 0.001 Å
• α: 90°
• β: 95.819 ± 0.002°
• γ: 90°
• Cell volume: 7684.9 ± 0.3 ų
• Cell temperature: 173.1 ± 0.2 K
• Ambient diffraction temperature: 173.1 ± 0.2 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: 0.0745
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No