Information card for entry 1563351

Structure parameters

• Formula: C4 H6 Er2 Ge2 K8 Na4 O110 W22
• Calculated formula: C4 H6 Er2 Ge2 K8 Na4 O110 W22
• SMILES: C1(=[O][Er]2345([O]1[Er]1678([O]=[W]9%10%11([O]%12[W]%13(O%10)(O[W]%10%14%15(O[W]%16%17(O[W]%18%19(=O)(O[W]%20%21%22([O]%23%24[W](=O)(O%10)(O%13)(O%21)O[W]%24(=O)(O%20)(O[W]%10%13(O[W]%20(O[W](O%18)(O%22)(O%10)(=O)[O]%13%20[Ge]%12%23[O]%15%17%19)(O%16)(=O)O%11)(=O)=[O]1)=[O]7)=O)O%14)(O9)=O)=O)(=O)=[O]8)=O)([O]=C(C)[O]36)[OH2])([O]=[W]136([O]7[W]8(O3)(O[W]39%10(O[W]%11%12(O[W]%13%14(=O)(O[W]%15%16%17([O]%18%19[W](=O)(O3)(O8)(O%16)O[W]%19(=O)(O%15)(O[W]38(O[W]%15(O[W](O%13)(O%17)(O3)(=O)[O]8%15[Ge]7%18[O]%10%12%14)(O%11)(=O)O6)(=O)=[O]2)=[O]4)=O)O9)(O1)=O)=O)(=O)=[O]5)=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: 20.1187 ± 0.0006 Å
• b: 12.6618 ± 0.0002 Å
• c: 21.1639 ± 0.0005 Å
• α: 90°
• β: 110.858 ± 0.003°
• γ: 90°
• Cell volume: 5038 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No