Information card for entry 7217289

Structure parameters

• Common name: PPh4-Aletpat
• Formula: C92 H124 Al O4 P
• Calculated formula: C92 H124 Al O4 P
• SMILES: [Al]12(Oc3c(cc(cc3C(C)(C)CC)C(C)(C)CC)CCc3c(O1)c(cc(c3)C(C)(C)CC)C(C)(C)CC)Oc1c(cc(cc1C(C)(C)CC)C(C)(C)CC)CCc1c(O2)c(cc(c1)C(C)(C)CC)C(C)(C)CC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions
• Authors of publication: Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.
• Journal of publication: Green Chem.
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 4696
• a: 23.163 ± 0.002 Å
• b: 27.127 ± 0.003 Å
• c: 30.989 ± 0.003 Å
• α: 115.645 ± 0.002°
• β: 99.092 ± 0.003°
• γ: 100.786 ± 0.003°
• Cell volume: 16604 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1781
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2477
• Weighted residual factors for all reflections included in the refinement: 0.303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No