Information card for entry 7133867

Structure parameters

• Formula: C54 H62 Al F15 Mo N O P4
• Calculated formula: C54 H62 Al F15 Mo N O 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: 24.8425 ± 0.0004 Å
• b: 20.3105 ± 0.0004 Å
• c: 27.5805 ± 0.0004 Å
• α: 90°
• β: 113.272 ± 0.002°
• γ: 90°
• Cell volume: 12783.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No