Information card for entry 1563348

Structure parameters

• Formula: C4 H6 Gd2 Ge2 K8 Na4 O110 W22
• Calculated formula: C4 H6 Gd2 Ge2 K8 Na4 O110 W22
• SMILES: C1(=[O][Gd]2345([O]=[W]678(O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)O[W]9%17%18(O[W]%19%20(O%13)(O[W](O%12)(O6)(=O)([O]8[Ge]6([O]%11%14%16)[O]%17%19[W](O%20)(O%18)(=[O]4)(=O)O[W]48([O]%116[W](O%15)(O9)(=O)(O[W]%11(O%10)(=O)(O7)O8)O4)(=[O]3)=O)=[O]2)=O)=O)=O)([OH2])[O]2C(=[O][Gd]3462([O]=[W]278(O[W]9%10%11(=O)O[W]%12%13%14(=O)O[W]%15%16(=O)(O9)O[W]9%17%18(O[W]%19%20(O%13)(O[W](O%12)(O2)(=O)([O]8[Ge]2([O]%11%14%16)[O]%17%19[W](O%20)(O%18)(=[O]6)(=O)O[W]68([O]%112[W](O%15)(O9)(=O)(O[W]%11(O%10)(=O)(O7)O8)O6)(=[O]4)=O)=[O]3)=O)=O)=O)([OH2])[O]15)C)C.[K+].O.[K+].O.[K+].O.[K+].O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].[K+].O.[K+].O.[K+].O.[K+].O.[Na+].O.O.O.O.O.O.O.O.O.[Na+]
• 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: 20.1264 ± 0.0002 Å
• b: 12.6758 ± 0.0001 Å
• c: 21.1523 ± 0.0002 Å
• α: 90°
• β: 110.839 ± 0.001°
• γ: 90°
• Cell volume: 5043.33 ± 0.09 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: 0.0558
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No