Information card for entry 1563349

Structure parameters

• Formula: C4 H6 Ge2 K8 Na4 O110 Tb2 W22
• Calculated formula: C4 H6 Ge2 K8 Na4 O110 Tb2 W22
• SMILES: C1(=[O][Tb]2345([O]1[Tb]1678([OH2])([O]=[W]9%10%11(O[W]%12%13%14(=O)O[W]%15%16%17(O[W]%18%19(O[W]%20%21%22(O[W]%23%24(O[W]%25%26([O]%24([W](O%23)(=O)(O9)(O%26)O%14)[Ge]9([O]%12%16%19)[O]%12%22[W](O[W]%12(=O)(O%20)(O%25)=[O]6)(O%15)(=O)(O%21)O[W](O1)(O%10)([O]%119)(O%17)=O)(=O)=[O]7)(O%18)=O)=O)(O%13)=O)=O)=O)[O]=C(C)[O]58)([O]=[W]156(O[W]789(=O)O[W]%10%11%12(O[W]%13%14(O[W]%15%16%17(O[W]%18%19(O[W]%20%21(O[W]%22(=O)(O%15)(O[W]%15(O%10)(=O)(O%16)[O]%17%22[Ge]([O]%19%21[W](O%20)(O%18)(=O)(O1)O9)([O]7%11%14)[O]6[W](=[O]2)(O5)(O%15)(O%12)=O)=[O]3)(=O)=[O]4)(=O)O%13)=O)(O8)=O)=O)=O)[OH2])C.[K+].O.[K+].O.[K+].O.[K+].O.[Na+].O.[Na+].[Na+].O.O.O.O.O.O.O.O.[K+].O.[K+].O.[K+].O.[K+].O.[Na+].O.O.O.O.O.O.O.O.O
• Title of publication: A new series of lanthanoid containing Keggin-type germanotungstates with acetate chelators: [{Ln(CH3COO)GeW11O39(H2O)}2]12− {Ln=EuIII, GdIII, TbIII, DyIII, HoIII, ErIII, TmIII, and YbIII}
• Authors of publication: Hussain, Firasat; Sandriesser, Stefan; Speldrich, Manfred; Patzke, Greta R.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 1
• Pages of publication: 214 - 219
• a: 20.1171 ± 0.0005 Å
• b: 12.6768 ± 0.0002 Å
• c: 21.13 ± 0.0005 Å
• α: 90°
• β: 110.886 ± 0.003°
• γ: 90°
• Cell volume: 5034.5 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No