Information card for entry 1565071

Structure parameters

• Formula: C80 H105 Al2 Co N4 O4
• Calculated formula: C80 H105 Al2 Co N4 O4
• 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: 13.046 ± 0.0002 Å
• b: 25.0267 ± 0.0005 Å
• c: 22.6264 ± 0.0005 Å
• α: 90°
• β: 96.9581 ± 0.0019°
• γ: 90°
• Cell volume: 7333.1 ± 0.2 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 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: 0.0842
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No