Information card for entry 7133865

Structure parameters

• Formula: C53 H64 Al F15 O2 P4 W
• Calculated formula: C53 H64 Al F15 O2 P4 W
• 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 (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 90
• Pages of publication: 13235 - 13238
• a: 13.8441 ± 0.0004 Å
• b: 11.8025 ± 0.0003 Å
• c: 34.6152 ± 0.0008 Å
• α: 90°
• β: 99.341 ± 0.002°
• γ: 90°
• Cell volume: 5581 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No