Information card for entry 7044076

Structure parameters

• Formula: H57.3333 K2 Na1.3333 O136.6667 Tb4 W29
• Calculated formula: K2 Na1.33333 O136.667 Tb4 W29
• SMILES: [W]123=[O][Tb]456([O]=[W]789%10[O]=[Tb]%11%12([O]=[W]%13%14%15%16O[W]%17%18%19(=[O][Tb]([O]=[W]%20%21%22%23[O]=[W]%24%25(=[O][Tb]([O]=[W]%26%27(O7)([O]8[W]78%28%29[O]%30%10[W]%10(O9)(O8)(=O)(O[W]8%30([O]%29[W]9([O]%277[W]7(O%26)(O%28)(O9)(=O)OO7)(O8)(=O)=O)(=O)=O)OO%10)=[O]4)([O]=1)([O]=%21)([OH2])([OH2])([OH2])([OH2])O%17)(=[O]5)[O]%20[W]1457[O]8%25[W]9(O%24)(O4)(=O)(O[W]48([O]7[W]7([O]%231[W]1(O%22)(O5)(O7)(=O)OO1)(O4)(=O)=O)(=O)=O)OO9)([O]=2)([O]=%14)([OH2])([OH2])([OH2])([OH2])[O]=[W]124(=[O]%11)O[W]57([O]1[W]189%10[O]%114[W]4(O2)(O8)(=O)(O[W]2%11([O]%10[W]8([O]71[W]1(O5)(O9)(O8)(=O)OO1)(O2)(=O)=O)(=O)=O)OO4)(=[O]%12)=[O]6)[O]%13[W]1245[O]6%19[W]7(O%18)(O2)(=O)(O[W]26([O]5[W]5([O]%161[W]1(O%15)(O4)(O5)(=O)OO1)(O2)(=O)=O)(=O)=O)OO7)([O]=3)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])[OH2].[Na+].[K+].[Na+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis, characterization and catalytic epoxidation properties of lanthanide-stabilized peroxoisopolytungstates
• Authors of publication: Guo, Jipeng; Niu, Yanjun; Song, Lanying; Xu, Qiaofei; Lu, Jingkun; Ma, Pengtao; Zhang, Dongdi; Zhang, Chao; Niu, Jingyang; Wang, Jingping
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 35.774 ± 0.004 Å
• b: 35.774 ± 0.004 Å
• c: 35.774 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 45783 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No