Information card for entry 7103038

Structure parameters

• Formula: H184 K7 Mn2 Na15 O243 P6 W41
• Calculated formula: K7 Mn2 Na14 O178 P6 W41
• SMILES: [W]1234(O[W]567([O]=P89[O]%10[W]%11(O1)(O[W]1%12%13(O[W]%14%15%16(O[W]%17%18%19(O[W]%20(=O)(O%14)(O[W]%14%21(O[W]([O]28)(O[W]%10(O%15)(O%14)(O%11)=O)(=O)(O[W]2(O3)(O[W]38%10(O[W]%11%14(O[W]%15%22%23(O[W]%24%25([O]%15P%15(=[O][W](=[O][Mn]([O]=6)([OH2])([OH2])([OH2])[OH2])(O[W]6%26(O[W]%27%28(O[W]%29%30(=O)([O]%27P%27(=[O][W]%31(O[W](O%24)(O%15)(=O)(=[O][Mn]([O]=%21)([OH2])([OH2])([OH2])[OH2])O%10)(=O)(O[W]%10%15(=O)(O%29)O[W](O%26)(O%28)(=O)(O[W]%21(O%10)(=O)(O[W]%10%24%26([O]%28[W]%29(O%24)(=O)(O[W]%24%32%33([O]%34[W]%35(O[W]%36(=O)(O%26)([O]=P%28%34O[W](O[W](O%31)(=O)(=O)([OH2])[OH2])(O%24)(O%29)(O[W]%24%26(=O)(O[W]%28%29%31(O[W]%34%37%38(=O)O[W]%39%40(O%35)([O]([W](O%29)(=O)(O%32)(O%24)O%39)P(=[O][W](O[W](O[W]%24(O5)([O]=P(O%20)([O]%19[W](=O)(O%18)(O%24)(O[W](=O)(O%28)(O%17)(O%34)=O)O%13)[O]1%16)(=O)O%12)(=O)(=O)([OH2])[OH2])(O%37)(O%36)(O%40)=O)([O]%31%38)O%26)=O)=O)=O)=O)=O)(O%10)(=O)O%33)=O)O%21)=O)=O)[O]%27%15)O%30)O6)O%25)(O%22)=O)(=O)=O)(O%23)(=O)O%14)[O]8%11)(O3)=O)=O)(=O)O2)=O)(=O)=O)O4)(O9)=O)=O)=O)=O)=O)(O7)=O)=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: New trimeric polyoxotungstate aggregates based on [P2W12O48]14- building blocks.
• Authors of publication: Zhang, Zhi-Ming; Yao, Shuang; Li, Yang-Guang; Wang, Yong-Hui; Qi, Yan-Fei; Wang, En-Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1650 - 1652
• a: 19.481 ± 0.004 Å
• b: 22.414 ± 0.005 Å
• c: 29.869 ± 0.006 Å
• α: 70.31 ± 0.03°
• β: 72.36 ± 0.03°
• γ: 71.26 ± 0.03°
• Cell volume: 11348 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1566
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No