Information card for entry 7200694

Structure parameters

• Formula: Er4 Ge2 H70 Na12 O111 W20
• Calculated formula: Er4 Ge2 Na12 O101 W20
• SMILES: [Ge]123[O]45[W]678([O]9[Er]%10%11%12%13%14([O]=[W]%15%16%17(O[W]%18%19%20(O[W]%21%22%23(O[W]%24%25(O%15)(=[O][Er]%15%26%27%28([O]%29[W]%30%31%32(O[W]%33%34%35(O[W]%36%37%38(O[W]%39%40(O[W]%41%42(O[W]%43%44([O]1%36[W](O%30)(O%38)(O%44)(=[O][Er]59([O]=[W]4(O%43)(O8)(=O)O%42)([O]=%32)([O]%11%24)([OH]%14)[OH2])=O)(O%37)=O)([O]2%39[W](=[O][Er]%29([O]=6)([O]=%33)([O]3%31%35)([O]%27[W]12(=[O]%10)(=O)O[W]34(O[W]5(O[W]68(O[W]9(O[W](=[O]%12)([O]69[Ge]([O]%18%225)([O]%13%17%25)[O]%1523)(O1)(=O)O8)(=O)(O%16)O%20)(O4)=O)(=O)(O%23)O%19)(=[O]%26)=O)([OH2])[OH]%28)(O7)(O%40)(O%41)=O)=O)(O%34)=O)=O)=O)=O)([O]=%21)[OH2])=O)=O)=O)=O)[OH2])=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: New fabrication of lanthanide complexes based on the polyoxometalate ligand of the [α(1,4)-GeW10O38]12− anion
• Authors of publication: Li, YunGao; Xu, Lin; Gao, GuangGang; Jiang, Ning; Liu, Hong; Li, FengYan; Yang, YanYan
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1512
• a: 21.6734 ± 0.0009 Å
• b: 22.902 ± 0.001 Å
• c: 24.3891 ± 0.0011 Å
• α: 90°
• β: 114.226 ± 0.001°
• γ: 90°
• Cell volume: 11039.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No