Information card for entry 1574620

Structure parameters

• Formula: C60 H102 Al K N2 O7 Si2
• Calculated formula: C60 H102 Al K N2 O7 Si2
• Title of publication: Enhancing the nucleophilicity of aluminyl anions: targeting selective C–H activation
• Authors of publication: Kallmeier, Fabian; Nelmes, Gareth R.; McMullin, Claire L.; Edwards, Alison J.; Hicks, Jamie
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 10750 - 10758
• a: 13.527 ± 0.0001 Å
• b: 23.8483 ± 0.0001 Å
• c: 20.0037 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6453.11 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1732
• Residual factor for significantly intense reflections: 0.1061
• Weighted residual factors for significantly intense reflections: 0.2347
• Weighted residual factors for all reflections included in the refinement: 0.2837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.003 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No