Information card for entry 1564721

Structure parameters

• Formula: C75 H104 Ag Al N2 O4 P
• Calculated formula: C75 H104 Ag Al N2 O4 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: 13.0018 ± 0.0004 Å
• b: 15.7611 ± 0.0007 Å
• c: 19.2597 ± 0.001 Å
• α: 113.433 ± 0.004°
• β: 99.104 ± 0.003°
• γ: 91.609 ± 0.003°
• Cell volume: 3557.5 ± 0.3 ų
• Cell temperature: 150 ± 0.3 K
• Ambient diffraction temperature: 150 ± 0.3 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: 0.1077
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No