Information card for entry 4346243

Structure parameters

• Formula: C68 H54 Al30 Cl2 O128 P2 S12
• Calculated formula: C68 H54 Al30 Cl2 O128 P2 S12
• Title of publication: Characterization of Phosphate and Arsenate Adsorption onto Keggin-Type Al30 Cations by Experimental and Theoretical Methods.
• Authors of publication: Corum, Katie W.; Fairley, Melissa; Unruh, Daniel K.; Payne, Maurice K.; Forbes, Tori Z.; Mason, Sara E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8367 - 8374
• a: 16.249 ± 0.003 Å
• b: 20.213 ± 0.003 Å
• c: 20.859 ± 0.003 Å
• α: 87.323 ± 0.004°
• β: 73.148 ± 0.003°
• γ: 73.918 ± 0.003°
• Cell volume: 6296 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No