Information card for entry 1561670

Structure parameters

• Formula: As4 Cl2 K Na12 O179.5 W40
• Calculated formula: As4 Cl2 K Na12 O179.5 W40
• SMILES: [As]12[O]34[W]567(=O)O[W]89%10(=O)O[W]%11%12(=O)(O5)O[W]5%13%14(O[W]%15%16(O8)(O[W]8(O9)(O[W]3(O6)(O[W]4(=O)(O[W](O%11)(=O)(=O)([O]2%12%13)O%14)(=O)O7)(O[W]2(=O)(O8)(=O)O[W]346(=O)O[W]78(=O)(O2)O[W]29(O[W]%11%12(O7)(=O)O[W]7%13%14(=O)O[W]%17(=O)(O%11)(O3)O[W]3%11(O[W]%18(O%13)([O]%14([As]([O]4%173)[O]89%12)[W](O7)(=O)(O%18)(O2)=O)(=O)O[W]2(O%11)(=O)(=O)O[W]347(O[W]89(=O)(O[W]%11%12([O]%13%14[As]%17[O]48[W]4(O9)(O7)(=O)O[W]789(O[W]%18(O2)(=O)(O3)O[W]2(O[W]3(O[W]%13(O%11)(O2)(O[W]%14(O%12)(O4)(O9)=O)=O)(O[W]249(=O)[O]%11%12[As]%13[O]%14%19[W]%20%21%22(=O)O[W](O5)(O%16)(=O)(=O)O[W]5%16(=O)(O[W]%23%24(=O)(O[W]%11(=O)(=O)(O2)O[W]2%12(O[W]%19(O[W]%14(O3)(O%20)(=O)O9)(=O)(O[W](=O)(O2)(O%23)([O]%135%24)O%16)O%21)(O4)=O)=O)O%22)(=O)=O)(=O)([O]%177%18)O8)=O)(=O)=O)=O)=O)(=O)O6)(=O)=O)=O)(=O)[O]1%10%15)=O)=O.[Cl-].[Cl-].[K+].[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.O.O.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: 19.178 ± 0.003 Å
• b: 19.677 ± 0.003 Å
• c: 30.803 ± 0.005 Å
• α: 94.414 ± 0.005°
• β: 98.453 ± 0.005°
• γ: 116.279 ± 0.004°
• Cell volume: 10176 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No