Information card for entry 1566760

Structure parameters

• Formula: C151 H250 Al4 K4 N8 O4 S4 Si8
• Calculated formula: C112 H184 Al4 K4 N8 O4 S4 Si8
• SMILES: [K+].[S-][Al]1N([Si](O[Si](N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Carbon–chalcogen bond formation initiated by [Al(NONDipp)(E)]− anions containing Al–E{16} (E{16} = S, Se) multiple bonds
• Authors of publication: Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Neale, Samuel E.; Rajabi, Nasir A.; Coles, Martyn P.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 25.01159 ± 0.00015 Å
• b: 19.41543 ± 0.00012 Å
• c: 33.7313 ± 0.0002 Å
• α: 90°
• β: 100.884 ± 0.0006°
• γ: 90°
• Cell volume: 16085.6 ± 0.17 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 119.99 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No