Information card for entry 1565072

Structure parameters

• Formula: C80.5 H115 Al2 N4 O5 Re
• Calculated formula: C80.5 H115 Al2 N4 O5 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: 45.706 ± 0.002 Å
• b: 17.2177 ± 0.0017 Å
• c: 20.3938 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16049 ± 2 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No