Information card for entry 7217282

Structure parameters

• Common name: Na(thf)4 Aletbat
• Formula: C76 H120 Al Na O8
• Calculated formula: C76 H120 Al Na O8
• SMILES: O1[Al]2(Oc3c(CCc4c1c(cc(c4)C(C)(C)C)C(C)(C)C)cc(C(C)(C)C)cc3C(C)(C)C)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)CCc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C.[O]1([Na]([O]2CCCC2)([O]2CCCC2)[O]2CCCC2)CCCC1
• 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: 14.1898 ± 0.0002 Å
• b: 14.7188 ± 0.0003 Å
• c: 19.354 ± 0.0004 Å
• α: 83.112 ± 0.001°
• β: 89.299 ± 0.001°
• γ: 71.328 ± 0.001°
• Cell volume: 3800.35 ± 0.13 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: 0.1158
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.2055
• 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