Information card for entry 4310826

Structure parameters

• Formula: Ge2 H68 Na12 O102 W18 Zn4
• Calculated formula: Ge2 Na12 O102 W18 Zn4
• SMILES: [W]1234([O]56[W]78(=O)(=[O][Zn]9%10%11([OH2])[O]%12%13[Ge]%146[O]6%15[W]%16%17(=O)(O1)O[W]1%18([O]%19%14[W]%14%20([O]%21[Zn]%22%23%24([O]%25[W]%15(=O)(O%17)(O[W]6(=O)(=[O][Zn]6%15%12%25[O]%12%22[Ge]%17%22[O]%25%26[W]%27%28%29(=O)O[W]%30%31%32([O]%33%17[W]%17%34(=O)(=[O][Zn]%13%21%12([O]=[W]%19(=O)(O%18)(O%20)O[W]5(=O)(=[O]9)(O4)O8)[O]%10[W]%33(=O)(O%32)(O%34)O[W]45([O]8%22[W](=O)(O%27)(O%30)(O4)O[W]8(=[O]%15)(=O)(O5)O[W]%26(=O)(=[O]%24)(O%29)O[W]%25(=O)(=[O]%23)(O%28)O%17)([O]%116)=O)O%31)=O)(O%16)O7)O%14)[OH2])(=O)O1)(=O)O2)O3)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.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: 11.589 ± 0.003 Å
• b: 12.811 ± 0.003 Å
• c: 17.221 ± 0.004 Å
• α: 97.828 ± 0.006°
• β: 106.169 ± 0.006°
• γ: 112.113 ± 0.005°
• Cell volume: 2189.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No