Information card for entry 1561669

Structure parameters

• Formula: As4 K5 Na O170 Ru4 W40
• Calculated formula: As4 K5 Na O170 Ru4 W40
• SMILES: [K+].[K+].O=[W]1234O[W]5678=[O][Ru]9%10%11([OH2])[O]=[W]%12%13%14(O[W]%15%16%17(O[W]%18(O[W]%19%20%21([O]%22[W]%23(=[O][Ru]%24%25([OH2])([O]=[W]%26%27%28(=[O][Ru]%29%30%31([OH2])[O]=[W]%32%33%34(=[O][Ru]%35%36([OH2])([O]=5)[As]5%37[O]%38[W]%39%40(O[W]%41(O%32)(=O)O[W]%32%42(O%34)(O[W]%34%43(O[W]%38(O%40)(O%41)(=O)O[W]%38%40(=O)(O%34)O[W](=O)(O7)(O[W](=O)(O8)(O%43)(O%32)[O]%37%42)O[W](=O)(=[O]%35)(O%39)(O%38)[O]5%40)=O)=O)(=[O]%36)=O)O[W]57(=O)O[W]8%32%34(=O)O[W]%35%36%37([O]%38[W]%39(O[W](O%26)(=O)(O[W]%26%40(O%28)(O[W](O%37)(=O)(O8)O[W](=O)(O%33)(O5)(O%26)[O]%40[As]%29%38[O]%34[W](=O)(=[O]%30)(O%39)(O%32)O7)=O)O%36)(=[O]%31)(=O)O%35)=O)O[W]57(=O)O[W]8%26(=O)(O%21)O[W](O%15)(O%20)(=O)O[W](=O)(O%27)(O5)(O%16)[O]%17[As]%22%24[O]%26[W](=O)(=[O]%25)(O%23)(O8)O7)[O]=%12)(=O)(O%19)O%18)=O)(O%13)=O)=O)O[W]57(=O)O[W]8%12%13(=O)O[W]%15%16%17([O]%18[W](O[W](O6)(=O)(O1)O%16)(=[O]%11)(=O)(O[W](=O)(=[O]%10)(O%12)([O]%13[As]9%18[O]4[W](=O)(O%14)(O[W](O2)(O%17)(=O)O8)(O5)O3)O7)O%15)=O.[Na+].O.O.O.O.O.O.O.[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Regulating the catalytic activity of multi-Ru-bridged polyoxometalates based on differential active site environments with six-coordinate geometry and five-coordinate geometry transitions.
• Authors of publication: Li, Huafeng; Chen, Wenjing; Zhao, Yujie; Zou, Yan; Zhao, Xue; Song, Junpeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping
• Journal of publication: Nanoscale
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 8077 - 8086
• a: 19.6886 ± 0.0013 Å
• b: 19.6886 ± 0.0013 Å
• c: 26.1118 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10122 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No