Information card for entry 1549752

Structure parameters

• Formula: C24 Al2 F55 N O7
• Calculated formula: C24 Al2 F55 N O7
• SMILES: [Al]([F][Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[O+]#N
• Title of publication: Facile and systematic access to the least-coordinating WCA [(R^FO)₃Al-F-Al(OR^F)₃]^- and its more Lewis-basic brother [F-Al(OR^F)₃]^- (R^F = C(CF₃)₃).
• Authors of publication: Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 35
• Pages of publication: 7058 - 7068
• a: 10.6841 ± 0.0002 Å
• b: 18.2966 ± 0.0003 Å
• c: 22.3798 ± 0.0003 Å
• α: 90°
• β: 94.822 ± 0.001°
• γ: 90°
• Cell volume: 4359.38 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No