Information card for entry 4310825

Structure parameters

• Formula: Cl Cs2 Cu4 Ge2 H66 Na11 O101 W18
• Calculated formula: Cl Cs2 Cu4 Ge2 Na10 O101 W18
• SMILES: [W]1234(O[W]567(O[W]89(O1)(O[W]1%10%11(O[W]%12%13(O6)(O[W]6%14(O5)(O[W]5%15(O2)(O[W]2%16(O3)(O[W]3(O8)(O1)([O]9%10[Ge]([O]452)([O]7%126)[O]12[Cu]4([OH2])([O]=%14)([O]=%13)[O]5[Cu]671([O]=%15)[O]%16[Cu]189([O]3[Cu]32([O]=%11)[O]=[W]2%10%11(O[W]%12%13%14(O[W]%15%16%17(O[W]%18%19(O%12)(O[W]%12%20(O[W]%21(O%16)(O[W](O%15)(O2)([O]%17%21[Ge]2([O]%11%14[W](O%13)(O%10)(O[W]5(O%18)(O%12)([O]%19%202)=O)([O]43)=O)[O]61)(=[O]8)=O)(=[O]9)=O)(=[O]7)=O)=O)=O)=O)=O)[OH2])=O)=O)=O)=O)=O)=O)=O)=O)=O.[Cs+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cl-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Cs+].[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: 12.2338 ± 0.0017 Å
• b: 12.3833 ± 0.0017 Å
• c: 15.449 ± 0.002 Å
• α: 100.041 ± 0.002°
• β: 97.034 ± 0.002°
• γ: 101.153 ± 0.002°
• Cell volume: 2231.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No