Information card for entry 4310356

Structure parameters

• Formula: Co6 H21 K5 Na3 O117 P3 W24
• Calculated formula: Co6 K5 Na3 O117 P3 W24
• SMILES: [W]1234([O]5[Co]6789[O]%10%11[Co]%12%13%14%15[O]=[W]%16%17%18(O[W]%19%20(O[W]%21%22(O[W]%23%24(=O)(O%19)O[W]%19%25%26(=[O][Co]5%10([O]=[W]5([O]([W](O%21)(=O)(O%18)(=[O]%15)O5)=P5%11[O]%24%19[W](O%23)(=O)(=[O]6)(O[W](O%20)(O%16)([O]%175)(=O)=[O]7)O%26)(O%25)(=O)O%22)([OH2])[O]%12[W]56(O[W]7%10(=[O]%14)(=O)=[O][Co]%11%12%14%15[O]%16[Co]%17%18%19%20[O]=[W]%21(=[O]9)(O1)([O]13[W]3(O2)(=O)(O[W]([O]57=P%161[O]8%13)(O6)(=O)(O%10)[O]%15[Co]12([OH2])([O]=[W]567(=O)O[W]89(O[W]%10%13(O[W]%15%16%22(O[W]%23%24(=[O]%11)(=O)[O]%22([W](O6)(O%16)(=O)(=[O]2)O%23)=P([O]59%10)([O]%14%181)[O]12[W]5(O8)(O[W]1(=O)(=[O]%12)(O[W]2(O%13)(=O)(O5)O%15)O%24)(=O)=[O]%20)=O)(=O)O7)(=O)=[O]%17)[O]%193)O%21)=O)(=O)O4)=O)=O)=O)=O)=O.[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].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: 13.1585 ± 0.0016 Å
• b: 21.06 ± 0.003 Å
• c: 22.891 ± 0.003 Å
• α: 79.787 ± 0.002°
• β: 85.57 ± 0.002°
• γ: 89.225 ± 0.002°
• Cell volume: 6224.3 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1698
• Residual factor for significantly intense reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.2842
• Weighted residual factors for all reflections included in the refinement: 0.3082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No