Information card for entry 4310355

Structure parameters

• Formula: H84 K Mn6 Na16 O136 P3 W24
• Calculated formula: K Mn6 Na16 O136 P3 W24
• SMILES: [K+].[Mn]1234([O]=[W]567(=O)O[W]89%10(=O)O[W]%11%12%13(=O)O[W]%14%15(=O)(O8)O[W]8(=O)(O6)(O[W]6%16(=O)(O%14)O[W]%14%17(=O)(O%11)O[W]%11%18(=O)(O%12)O[W]%12(=O)(O9)(O5)=[O][Mn]59%19([O]=%11)[O]2([Mn]2%11([O]=6)([O]=%14)[O]=[W]6%14%20(=O)O[W]%21%22(=O)([O]32)O[W]23(=O)(O6)[O]6[Mn]%23%24%25([O]=[W]%26%27%28(=O)O[W]%29%30%31(=O)O[W]%32%33%34(=O)O[W]%35%36(=O)(O%29)O[W]%29(=O)(O%27)(O[W]%27%37(=O)(O%35)O[W]%35%38(=O)(O%33)O[W]%33%39(=O)(O%32)O[W]%32(=O)(O%30)(O%26)=[O][Mn]%266([O]=%33)([O]%24([Mn]6%24([O]=%27)([O]=%35)[O]%25[W]%25%27(=O)(O2)O[W]2(=O)(O%21)([O]45)O[W](=O)(O%25)(=[O]6)(=[O]9)[O]%272P([O]%20%223)(=[O]%19%11)[O]%26%24)P(=[O]%34%38%39)([O]%28%31%32)[O]%36%29%37)[O]=%14)=[O]%23)[OH2])P(=[O]%13%17%18)([O]7%10%12)[O]%158%16)=[O]1)[OH2].[Na+].[Na+].[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.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: Decomposition of A-Type Sandwiches. Synthesis and Characterization of New Polyoxometalates Incorporating Multiple d-Electron-Centered Units
• Authors of publication: Michelle D. Ritorto; Travis M. Anderson; Wade A. Neiwert; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 44 - 49
• a: 17.4862 ± 0.001 Å
• b: 22.3071 ± 0.0012 Å
• c: 35.1195 ± 0.0018 Å
• α: 90°
• β: 95.898 ± 0.001°
• γ: 90°
• Cell volume: 13626.4 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1409
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No