Information card for entry 1567186

Structure parameters

• Formula: C30 H78 Al2 O4 Si8
• Calculated formula: C30 H78 Al2 O4 Si8
• Title of publication: Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.
• Authors of publication: Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 27
• Pages of publication: 8088 - 8094
• a: 14.912 ± 0.0003 Å
• b: 9.33098 ± 0.00017 Å
• c: 17.8266 ± 0.0005 Å
• α: 90°
• β: 104.662 ± 0.003°
• γ: 90°
• Cell volume: 2399.68 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No