Information card for entry 7129957

Structure parameters

• Formula: C157 H256 Al4 K6 N15 O14 Si8
• Calculated formula: C128 H200 Al4 K6 N10 O14 Si8
• 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: 15.4856 ± 0.00007 Å
• b: 32.8594 ± 0.0002 Å
• c: 36.3809 ± 0.0002 Å
• α: 90°
• β: 97.0291 ± 0.0005°
• γ: 90°
• Cell volume: 18373.2 ± 0.17 ų
• Cell temperature: 150 ± 3 K
• Ambient diffraction temperature: 150 ± 3 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No