Information card for entry 1549757

Structure parameters

• Formula: C30 H12 Ag Al F34 O3
• Calculated formula: C30.006 H12.004 Ag Al F34.002 O3
• SMILES: [Ag]1([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)([cH]2cc(F)c(c[cH]12)F)[cH]1ccc(F)c(c1)F.Fc1c(F)cccc1
• 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: 10.2659 ± 0.0002 Å
• b: 17.4605 ± 0.0004 Å
• c: 20.9905 ± 0.0005 Å
• α: 90°
• β: 99.098 ± 0.001°
• γ: 90°
• Cell volume: 3715.17 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No