Information card for entry 1574626

Structure parameters

• Formula: C175 H253 Al2 K2 N4 O16 Si4
• Calculated formula: C175 H253 Al2 K2 N4 O16 Si4
• 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: 11.5727 ± 0.0001 Å
• b: 26.0715 ± 0.0004 Å
• c: 28.9632 ± 0.0004 Å
• α: 88.405 ± 0.001°
• β: 79.773 ± 0.001°
• γ: 89.78 ± 0.001°
• Cell volume: 8596.53 ± 0.19 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.15 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: 0.0852
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No