Information card for entry 4508610

Structure parameters

• Formula: C90 H50 Al30 Cu2 O184 S18
• Calculated formula: C90 H50 Al30 Cu2 O184 S18
• Title of publication: Contaminant adsorption on nanoscale particles: structural and theoretical characterization of cu(2+) bonding on the surface of keggin-type polyaluminum (al30) molecular species.
• Authors of publication: Abeysinghe, Samangi; Corum, Katie W.; Neff, Diane L.; Mason, Sara E.; Forbes, Tori Z.
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2013
• Journal volume: 29
• Journal issue: 46
• Pages of publication: 14124 - 14134
• a: 18.323 ± 0.005 Å
• b: 18.469 ± 0.005 Å
• c: 24.985 ± 0.008 Å
• α: 73.966 ± 0.01°
• β: 80.078 ± 0.01°
• γ: 62.392 ± 0.009°
• Cell volume: 7191 ± 4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2456
• Weighted residual factors for all reflections included in the refinement: 0.2634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No