Information card for entry 4325574

Structure parameters

• Formula: As4 H104 Mn2 Na18 O164 W30
• Calculated formula: As4 Mn2 Na14 O152 W30
• SMILES: [W]1234(=O)O[W]567(O[W]89(O1)(O[W]1%10%11(O[W]%12%13(O3)([O]34[W]4(O2)(=O)(O[W]2%14%15(O[W]%16(O4)(O6)([O]7=[As]3([O]8%11)[O]%15[W](O%13)(O1)(O%14)(=O)O[W]134(=O)=[O][Mn]678%11[O]=[W]%13(O2)(O3)([O]4=[As]23[O]4[W]%14(O%10)(O1)(=O)=[O][Mn]1([O]=[W]4(O9)(O%14)(=O)O[W]4(O5)(=O)(=O)O[W](O%16)([O]24)(=O)(=O)O%13)([O]63)([O]=[W]234(O[W]569(O[W]%10%13%14(O[W]%15%16%17(=O)O[W]%18%19%20(O[W]%21%22(O%15)(O[W]%15(O%14)(=O)(O5)O[W]5(O2)(=O)(=[O]7)O[W]2(O%22)([O]5[As]5[O]4[W]4(O[W]7%14(O[W](O%16)([O]%10%17)(=O)(O[W](O%19)([O]%20[As]([O]%21%15)[O]9%14)(O[W]9(O[W](O%18)(O2)(=O)(=O)[O]59)(=O)(=O)O4)(=O)O7)O%13)(=O)O6)(O3)(=O)=[O]1)(=O)=[O]8)=O)=O)=O)=O)=O)O%11)=O)=O)=O)O%12)=O)=O)=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.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: 17.0151 ± 0.0007 Å
• b: 15.257 ± 0.0007 Å
• c: 31.912 ± 0.0015 Å
• α: 90°
• β: 91.294 ± 0.003°
• γ: 90°
• Cell volume: 8282.2 ± 0.6 ų
• Cell temperature: 276 ± 2 K
• Ambient diffraction temperature: 276 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2487
• Weighted residual factors for all reflections included in the refinement: 0.2993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No