Information card for entry 1564716

Structure parameters

• Formula: C78 H117 Al Cu N4 O P
• Calculated formula: C78 H117 Al Cu N4 O P
• Title of publication: Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide
• Authors of publication: Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 12.6572 ± 0.0004 Å
• b: 19.3809 ± 0.0006 Å
• c: 30.2695 ± 0.0012 Å
• α: 90°
• β: 98.787 ± 0.004°
• γ: 90°
• Cell volume: 7338.2 ± 0.4 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 7
• 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: 0.1236
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No