Information card for entry 1552377

Structure parameters

• Formula: C24 Al2 Cl3 F55 O6 S
• Calculated formula: C24 Al2 Cl3 F55 O6 S
• SMILES: [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)[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.[S+](Cl)(Cl)Cl
• Title of publication: First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase
• Authors of publication: Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.994 ± 0.0006 Å
• b: 13.817 ± 0.0007 Å
• c: 13.8774 ± 0.0007 Å
• α: 84.132 ± 0.002°
• β: 73.214 ± 0.002°
• γ: 81.787 ± 0.002°
• Cell volume: 2356 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No