Information card for entry 4308563

Structure parameters

• Formula: Cs4 Fe6 Ge2 H69 Na7 O107 W18
• Calculated formula: Cs4 Fe6 Ge2 Na O107 W18
• SMILES: [W]1234([O]56[W]78(O1)(O[W]19%10([O]%11%12[W]%13(O2)(O1)(O[W]12([O]%14%15[Ge]5%11[O]5%11[W]%16(O7)(O9)(O[W]79%11(O[W]6(O8)(O3)(O[W]%14(O1)(O7)(=[O][Fe]13%15(O[Fe]6%12(O[Fe]5(O[Fe]578%11[O]%12%14[W]%15%17(O[W]%18%19%20([O]%21%22[W]%23%24(O%18)(O[W]%18%25%26([O]%27%28[W](O%19)(O%18)(O%15)(=[O][Fe]%28(O[Fe]%15%18([O]%19([Ge]%12%21%27)[W](O%25)(O%24)(O[W]%12%19(O[W]%22(O%20)(O%23)(O[W]%14(O%17)(O%12)(=[O]%11)=O)=O)(=[O]%18)=O)(=[O]%15)=O)(O3)O8)(O6)(O5)[O]=%26)=O)=O)=O)=O)(=[O]7)=O)(O%16)(O1)O9)([O]=%13)[O]=%10)O2)=O)=O)=O)=O)(O4)=O)=O)=O)=O)=O.[Cs+].[Cs+].[Cs+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Cs+].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Structure, Electrochemistry, and Magnetism of the Iron(III)-Substituted Keggin Dimer, [Fe6(OH)3(A-α-GeW9O34(OH)3)2]11-
• Authors of publication: Li-Hua Bi; Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Johan van Tol; Naresh S. Dalal; Bineta Keita; Louis Nadjo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 896 - 903
• a: 36.981 ± 0.004 Å
• b: 16.5759 ± 0.0015 Å
• c: 16.0678 ± 0.0015 Å
• α: 90°
• β: 95.311 ± 0.003°
• γ: 90°
• Cell volume: 9807.2 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No