Information card for entry 4310055

Structure parameters

• Formula: Al Cs6 H0 Na O54.5 W12
• Calculated formula: Al Cs6 Na O54.5 W12
• SMILES: [W]1234([O]56[W]78(O1)(=O)O[W]15(=O)(O2)O[W]259([O]%10%11[W]%12(O8)(O[W]8%13([O]%14%15[W]%16(O4)(O[W]4%17([O]%18([W](O1)(O5)(=O)(O4)O[W]1%18(O%17)(O[W]%10(O%12)(O9)(O[W]%14(O%16)(O%13)(=O)O1)=O)=O)[Al]6%11%15)(O3)=O)(=O)O8)(O7)=O)(=O)O2)=O)=O.[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Electron Exchange between α-Keggin Tungstoaluminates and a Well-Defined Cluster-Anion Probe for Studies in Electron Transfer
• Authors of publication: Yurii V. Geletii; Craig L. Hill; Alan J. Bailey; Kenneth I. Hardcastle; Rajai H. Atalla; Ira A. Weinstock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8955 - 8966
• a: 12.1412 ± 0.0012 Å
• b: 13.191 ± 0.0017 Å
• c: 18.5921 ± 0.0019 Å
• α: 94.253 ± 0.003°
• β: 90.38 ± 0.003°
• γ: 110.296 ± 0.003°
• Cell volume: 2783.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0992
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No