Information card for entry 4115196

Structure parameters

• Formula: Co4 H128 Na16 O174 P4 W30
• Calculated formula: Co4 Na16 O174 P4 W30
• SMILES: O=[W]1234O[W]567(=O)O[W]89(O1)(=O)O[W]1%10%11(=O)O[W]%12%13(O5)(=O)O[W]5%14(=O)(O7)[O]7=[P]([O]469)([O]%10%12)[O]4[W]6(O8)(O1)(=O)O[W]189(=O)[O]%10[P]%12%15=[O]%16[W]%17%18%19O[W]7(=O)(O2)(O%14)O[W]4(=O)(O3)(O6)O[W]%10(=O)(O1)(O%17)=[O][Co]1234[O]6%15[Co]7%10([O]=%18)([OH2])[O]=[W]%16(O5)(O%19)(=O)O[W]5%14(=O)(O%13)[O]%12[W](=O)(O%11)(O5)(O9)[O]5[Co]69%11([O]=%14)[O]63P3%12=[O]%13[W]%14%15%16(=O)O[W]%17%18%19(=O)O[W]%20%21%22(=O)O[W]%23%24%25(=O)O[W]%26%27(=O)(O%20)O[W]%20%28%29(=O)O[W]%30%31(=O)(O%24)O[W]%24(=O)(O%23)(O%17)[O]%18=P([O]%21%25%26)([O]%28%30)[O]%17[W]%18(=O)(O%27)(O%20)O[W]%17(=O)(O%22)(O%19)O[W]%17(=O)(O%14)(=[O]9)[O]%12[W](=O)(O%18)(O%17)([O]7%11)O[W]7(=O)(O%29)([O]1%10)[O]3[W](=O)(O%31)(O7)(=[O]4)O[W]%13(=O)(O%24)(O%15)=[O][Co]56([O]82)([O]=%16)[OH2].[Na+].O.O.[Na+].O.[Na+].O.O.O.O.O.[Na+].O.O.[Na+].[Na+].O.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.[Na+].O.[Na+].O.[Na+].O.O.O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: The Structure of Self-Assembled Multilayers with Polyoxometalate Nanoclusters
• Authors of publication: Shaoqin Liu; Dirk G. Kurth; Bjoern Bredenkötter; Dirk Volkmer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12279 - 12287
• a: 13.6284 ± 0.0008 Å
• b: 13.8525 ± 0.0008 Å
• c: 22.8234 ± 0.0013 Å
• α: 89.906 ± 0.001°
• β: 78.302 ± 0.001°
• γ: 61.571 ± 0.001°
• Cell volume: 3687.9 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No