Information card for entry 4505970

Structure parameters

• Formula: C60 H36 Al26 O114 S12
• Calculated formula: C60 H36 Al26 O113.94 S12
• Title of publication: Crystallization of Keggin-Type Polyaluminum Species by Supramolecular Interactions with Disulfonate Anions
• Authors of publication: Abeysinghe, Samangi; Unruh, Daniel K.; Forbes, Tori Z.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2044
• a: 15.6751 ± 0.0017 Å
• b: 17.9295 ± 0.0019 Å
• c: 19.711 ± 0.002 Å
• α: 111.216 ± 0.005°
• β: 112.494 ± 0.005°
• γ: 93.962 ± 0.005°
• Cell volume: 4630.7 ± 0.9 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.234
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.2619
• Weighted residual factors for all reflections included in the refinement: 0.293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No