Information card for entry 7217285

Structure parameters

• Common name: IPrAuSMe2-Aletbat
• Formula: C94 H142 Al Au N2 O4 S
• Calculated formula: C94 H142 Al Au N2 O4 S
• 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: 24.5162 ± 0.0013 Å
• b: 14.2702 ± 0.0007 Å
• c: 27.0151 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9451.3 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No