Information card for entry 4310824

Structure parameters

• Formula: Ge2 H80 Mn4 Na12 O108 W18
• Calculated formula: Ge2 Mn4 Na11 O108 W18
• SMILES: [W]1234(O[W]567(O[W]89%10(O[W]%11%12(O2)(O[W]2%13(O1)(=O)[O]3%12[Ge]13[O]%12%14[Mn]%15%16%17[O]=[W]%18%19(O[W]%20(O4)(O5)(O[W](O%18)(O[W](O6)(O8)(=[O][Mn]456%14[O]=[W]8%14%18(O[W]%21%22%23(O[W]%24%25%26(O[W]%27%28(O%21)(O[W]%21%29%30(O[W]%31%32(O%25)(O[W]%25(O%24)(O8)(=[O][Mn]8([O]%11[Mn]%11%12([O]=%13)([O]=%29)[O]%16[W]%12(O%27)(O%21)(O[W](O%22)(O%14)([O]%175)(=O)[O]%18%23[Ge]([O]68%11)([O]%26%32%25)[O]%28%30%12)=O)([O]=%31)[O]94)=O)=O)=O)=O)=O)=O)=O)(=O)[O]7%103)(=[O]%15)(=O)[O]1%19%20)=O)(O2)=O)=O)=O)=O)=O.[Na+].O.O.[Na+].O.O.O.[Na+].O.[Na+].O.O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.[Na+].O.O.O.O.[Na+].O.[Na+].O.O.[Na+].O.O.O.O.O.O.O
• Title of publication: Sandwich-type Germanotungstates: Structure and Magnetic Properties of the Dimeric Polyoxoanions [M~4~(H~2~O)~2~(GeW~9~O~34~)~2~]^12-^ (M = Mn^2+^, Cu^2+^, Zn^2+^, Cd^2+^)
• Authors of publication: Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Naresh S. Dalal; Urs Rauwald; Welbeck Danquah; Didier Ravot
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2308 - 2317
• a: 13.0419 ± 0.0008 Å
• b: 17.8422 ± 0.001 Å
• c: 21.1626 ± 0.0012 Å
• α: 90°
• β: 93.312 ± 0.001°
• γ: 90°
• Cell volume: 4916.2 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.344
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No