Information card for entry 1564718

Structure parameters

• Formula: C150 H208 Al2 Cu2 N4 O8 P2
• Calculated formula: C150 H208 Al2 Cu2 N4 O8 P2
• 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: 13.0313 ± 0.0004 Å
• b: 15.8057 ± 0.0007 Å
• c: 18.8852 ± 0.0009 Å
• α: 112.876 ± 0.004°
• β: 98.299 ± 0.003°
• γ: 92.821 ± 0.003°
• Cell volume: 3522.6 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.1519
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2453
• Weighted residual factors for all reflections included in the refinement: 0.3017
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No