Information card for entry 4317950

Structure parameters

• Formula: Fe3 Na7.5 O81 P2 W15
• Calculated formula: Fe3 Na7.5 O81 P2 W15
• SMILES: [Fe]1234([O]56[Fe]78(O1)(O[Fe]15([OH2])(O2)[O]=[W]259([O]%10[W]%11(=[O]8)(O[W]8%12([O]%13[W]%14(=[O]3)(=O)(O8)O[W]38([O]([W](=[O]1)(O5)(=O)(O3)O[W]135([O]%15[W]%16(O8)(O3)(=O)O[W]38([O]%17[W]%18(O%12)(O3)(=O)O[W]3%12([O]%19[W](O9)(O3)(=O)(O1)O[W]13([O]9([W](O8)(O%16)(=O)(O[W]9(O%18)(O%12)(=O)O1)O3)=P%15%17%19)(O5)=O)(O%11)=O)(O%14)=O)=O)=P6%10%13)(=[O]4)=O)(=[O]7)=O)(=O)O2)=O)[OH2])[OH2].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Reactions of Trivacant Wells-Dawson Heteropolytungstates. Ionic Strength and Jahn-Teller Effects on Formation in Multi-Iron Complexes
• Authors of publication: Travis M. Anderson; Xuan Zhang; Kenneth I. Hardcastle; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2477 - 2488
• a: 12.8594 ± 0.0011 Å
• b: 13.3491 ± 0.0012 Å
• c: 22.2503 ± 0.0019 Å
• α: 92.471 ± 0.002°
• β: 97.309 ± 0.002°
• γ: 108.181 ± 0.002°
• Cell volume: 3585.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No