Information card for entry 1566850

Structure parameters

• Formula: C3 H18 Al F9 O18 S3
• Calculated formula: C3 H18 Al F9 O18 S3
• SMILES: S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.[Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O
• Title of publication: A sobering examination of the feasibility of aqueous aluminum batteries
• Authors of publication: Pastel, Glenn R.; Chen, Ying; Pollard, Travis P.; Schroeder, Marshall A.; Bowden, Mark E.; Zheng, Allen; Hahn, Nathan T.; Ma, Lin; Murugesan, Vijayakumar; Ho, Janet; Garaga, Mounesha; Borodin, Oleg; Mueller, Karl; Greenbaum, Steven; Xu, Kang
• Journal of publication: Energy & Environmental Science
• Year of publication: 2022
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2460 - 2469
• a: 6.4503 ± 0.0002 Å
• b: 15.415 ± 0.0005 Å
• c: 22.904 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2277.38 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No