Information card for entry 7133866

Structure parameters

• Formula: C58 H48 Al2 F30 Mo O4 P4
• Calculated formula: C58 H48 Al2 F30 Mo O4 P4
• Title of publication: Low-valent Group 6 Metals/Al(C6F5)3 Donor-Acceptor Systems for CO2 Activation and Cleavage
• Authors of publication: Escomel, Léon; Le Dé, Quentin; Benonie, Maxime; Vendier, Laure; Simonneau, Antoine
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 13.8498 ± 0.0004 Å
• b: 14.1073 ± 0.0005 Å
• c: 21.9884 ± 0.0008 Å
• α: 90°
• β: 107.491 ± 0.003°
• γ: 90°
• Cell volume: 4097.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No