Information card for entry 7003385

Structure parameters

• Formula: Co3 H54 K2 Na12 O92 Si2 W17
• Calculated formula: Co3 K2 Na12 O91.1 Si2 W17
• SMILES: [W]1234(O[W]567([O]8[Co]9%10%11%12[O]%13[Si]%14%15[O]%16[W]%17%18(O[W]%19(O5)(=O)(=[O]%10)[O]7%15[W](O[W]57(O[W](O1)(=[O][Co]1%10%15%13[O]=[W]%13%20%21([O]%22%23[W]%24%25(O[W]%26%22(O[W]%22%27%28(O[W]%29([O]%30%27[W](=[O]9)(O[W]9%27(=O)(O[W]%31(O%26)(O[W]%26(O%24)(=[O][Co]8([O]%111[Si]%23%30[O]9%31%26)([OH2])([O]=%25)[O]4%10)(=O)O%27)(O%28)=O)=[O]%12)(O%22)(O%29)=O)(=O)(=[O]%15)O%21)=O)(O%13)=O)(O%20)=O)=O)([O]3%145)(O[W]%16(=O)(O%18)(O7)=O)=O)(O2)=O)(O%17)(O6)(=O)O%19)(=O)=O)=O)=O.[K+].[K+].[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
• Title of publication: Isolation of extendable transition metal incorporated polyoxometalate intermediates with structural control
• Authors of publication: Mitchell, Scott G.; Ritchie, Chris; Long, De-Liang; Cronin, Leroy
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1415 - 1417
• a: 12.089 ± 0.0012 Å
• b: 21.174 ± 0.002 Å
• c: 33.888 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8674.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No