Information card for entry 4325576

Structure parameters

• Formula: As4 H112 Mn3 Na15 O168 W30
• Calculated formula: As4 Mn3 Na13 O168 W30
• SMILES: O=[W]1234O[W]567(=O)[O]84[W]4(O1)(O5)(=O)O[W]159(=O)O[W]%10%11(O3)(=O)[O]9[As]38=[O]8[W]9%12(O6)(=O)O[W]6%13(O[W](O2)(O%10)(=O)(O[W]2%10%14(O[W]%15%16(O%11)(O[W]%11%17(O5)(=O)=[O][Mn]5%18[O]=[W]%19%20%21(O[W]%22%23%24(O[W]%25%26%27(O[W]%28%29%30(=O)O[W]%31%32([O]%33%30[W]%30(O%28)(O%31)(=O)O[W]%28%31%34(O[W]%35(O%29)([O]%34[As]%33(=[O]%29[W]%33(O%32)(O%24)(O[W]%24%32(O[W]%34%36(O[W]%29(O%30)(O%28)(O%33)=O)(=O)O[W]%28%29(O%31)(=O)=[O][Mn]%30%31[O]=[W]%33([O]2[As]2(=[O]%37[W]%38(O[W]8(O4)(O1)(O%12)=O)(=O)(O%17)O[W]%37(O9)(O%33)(=O)=[O][Mn]1([O]=%38)([O]=[W]4(O%35)(O%28)([O]%29[As](=[O]%24%34)([O]%21[W](O%26)(=O)(O4)(O%19)O1)[O]%18%31[Mn]([O]=%16)([O]=%36)([O]=%14)([O]=%32)[OH2])=O)([O]5%302)[OH2])[O]%15%11)(O%13)(O%10)=O)(O%20)=O)=O)[O]%22%27)(=O)O%25)=O)(=O)O%23)=O)=O)=O)=O)=O)[O]36)(O7)=O.[Na+].O.[Na+].O.O.O.[Na+].O.O.[Na+].O.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Manganese(III)-Containing Wells-Dawson Sandwich-Type Polyoxometalates: Comparison with their Manganese(II) Counterparts
• Authors of publication: Mounim Lebrini; Israël M. Mbomekallé; Anne Dolbecq; Jérôme Marrot; Patrick Berthet; Joseline Ntienoue; Francis Sécheresse; Jacky Vigneron; Arnaud Etcheberry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6437 - 6448
• a: 12.733 ± 0.005 Å
• b: 15.855 ± 0.007 Å
• c: 19.475 ± 0.008 Å
• α: 87.59 ± 0.02°
• β: 83.89 ± 0.02°
• γ: 75.2 ± 0.02°
• Cell volume: 3779 ± 3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 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: 0.0911
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.235
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No