Information card for entry 4317951

Structure parameters

• Formula: Fe3 Na10.5 O143.5 P4 W30
• Calculated formula: Fe3 Na10.5 O143.5 P4 W30
• SMILES: [Fe]1234([O]56[Fe]789%10[O]=[W]%11%12%13([O]%14[W]%15%16(O%12)(=O)O[W]%12%17([O]%18[W]%19(=O)(O[W]%20%21([O]([W](O%20)(=O)(O%11)(O[W]%11%20%22(O[W]%23%24%25(=O)O[W]%26%27%28(=O)O[W]%29%30(=O)(O%23)O[W]%23(O[W]%31(O%29)(O[W]%29(O%27)(O[W]%27(O%26)(O[W](O%24)(O%20)(=O)([O]%27=P([O]%25%28%30)([O]%31%29)[O]%22%23)O%13)(=O)O%15)(=O)O%17)(=O)O%19)(=O)(O%11)O%21)=O)=[O]7)=P6%14%18)(=O)=[O]1)(O%12)=[O]2)(=O)=[O][Fe]125([O]=%16)[O]3[W]356(=O)O[W]7%11([O]48)(=O)O[W]48(=[O]9)(=O)O[W]9%12(=O)(=O)O[W]%13%14(=O)(=O)O[W](=[O]1)(=O)(O3)([O]5=P([O]9%13)([O]74)[O]%102)O[W]123([O]4[W]5(O6)(=O)(O[W]67([O]9[W]%10(O8)(O6)(=O)O[W]68([O]%13[W](O%14)(O6)(=O)(O1)O[W]16([O]%14([W](O5)(O7)(=O)(O[W]%14(O%10)(O8)(=O)O1)O6)=P49%13)(O3)=O)(O%12)=O)(O%11)=O)O2)=O)=O)[OH2].[Na+].[Na+].[Na+].[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.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: 13.797 ± 0.0007 Å
• b: 22.0512 ± 0.0012 Å
• c: 24.5937 ± 0.0013 Å
• α: 109.949 ± 0.001°
• β: 99.041 ± 0.001°
• γ: 93.748 ± 0.001°
• Cell volume: 6888.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0974
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No