Information card for entry 1565065

Structure parameters

• Formula: C84 H105 Al2 Mn N4 O6
• Calculated formula: C84 H105 Al2 Mn N4 O6
• 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: 16.8869 ± 0.0007 Å
• b: 22.7289 ± 0.0009 Å
• c: 19.8568 ± 0.0009 Å
• α: 90°
• β: 91.256 ± 0.004°
• γ: 90°
• Cell volume: 7619.6 ± 0.6 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: 0.1357
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No