Information card for entry 1566763

Structure parameters

• Formula: C53 H80 Al K N2 O5 Se Si2
• Calculated formula: C53 H80 Al K N2 O5 Se Si2
• 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: 9.75833 ± 0.00009 Å
• b: 31.8983 ± 0.0003 Å
• c: 17.54162 ± 0.00015 Å
• α: 90°
• β: 92.6949 ± 0.0008°
• γ: 90°
• Cell volume: 5454.21 ± 0.09 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No