Information card for entry 4303439

Structure parameters

• Formula: C12 H56 K5 Na5 O92 Ru2 Sb2 W20
• Calculated formula: C12 H12 K5 Na4 O90 Ru2 Sb2 W20
• SMILES: [W]1234([O]56[W]78(=O)(O2)O[W]25(O[W]59(O[W]%10%11%12%13[O]%14%15[W](=O)(O7)(O2)(O%11)O[W]2%14(=O)(O%12)O[W]7%11([O]%12([W]%14(=[O][Ru]%16%17%18%19%20([cH]%21[cH]%16[cH]%17[cH]%18[cH]%19[cH]%20%21)([O]=1)[O]=[W]1%16%17([O]%18%19[W]%20%21(=O)(O[W]%22%23%24([O]%25%26[W]%27(=[O][Ru]%28%29%30%31%32([O]=%10)([cH]%10[cH]%28[cH]%29[cH]%30[cH]%31[cH]%32%10)[O]=[W]%10%28([O]%29([W]%30(=O)(O%24)(O[W]%18(=O)(O%21)(O%17)O[W]%29(=O)(O%30)(O%28)O9)O%10)[Sb]%19%26)(=O)O%27)(=O)(O%22)O[W]%25(O[W](=O)(=O)(O%13)(O[W]%12(=O)(O2)(O%11)O%14)O1)(=O)(O%23)O%20)=O)O%16)O5)(=O)(O4)O7)[Sb]6%15)(=O)O8)(=O)=O)(=O)O3)=O.[K+].[K+].[K+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O
• Title of publication: Organo-Ruthenium Supported Heteropolytungstates: Synthesis, Structure, Electrochemistry, and Oxidation Catalysis
• Authors of publication: Li-Hua Bi; Ghada Al-Kadamany; Elena V. Chubarova; Michael H. Dickman; Lifang Chen; Divakara S. Gopala; Ryan M. Richards; Bineta Keita; Louis Nadjo; Helge Jaensch; Georges Mathys; Ulrich Kortz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10068 - 10077
• a: 12.1625 ± 0.0002 Å
• b: 13.1677 ± 0.0002 Å
• c: 16.0141 ± 0.0003 Å
• α: 78.9201 ± 0.0007°
• β: 74.4442 ± 0.0008°
• γ: 78.9019 ± 0.0008°
• Cell volume: 2397.59 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1255
• 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