Information card for entry 7129956

Structure parameters

• Formula: C84 H152 Al2 K2 N8 O6 Si4
• Calculated formula: C84 H152 Al2 K2 N8 O6 Si4
• Title of publication: Extending Chain Growth Beyond C1 → C4 in CO Homologation: Aluminyl Promoted Formation of the [C5O5]5– Ligand
• Authors of publication: Evans, Matthew J.; Gardiner, Michael; Anker, Mathew David; Coles, Martyn P.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 19.3051 ± 0.0007 Å
• b: 24.5006 ± 0.001 Å
• c: 24.9778 ± 0.0013 Å
• α: 115.548 ± 0.006°
• β: 108.416 ± 0.005°
• γ: 97.403 ± 0.004°
• Cell volume: 9616 ± 1.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2444
• Weighted residual factors for all reflections included in the refinement: 0.2916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No