Information card for entry 7003384

Structure parameters

• Formula: Co3 H58 K9 Na3 O92.7 Si2 W17
• Calculated formula: Co3 K9 Na3 O92.7 Si2 W17
• SMILES: [W]1234(O[W]567(=O)[O]89[W]%10%11(O[W]%12%13(=O)(O[W]%14%15(O[W]%16%17(=O)(=[O][Co]%18%19%20%21[O]1[Co]1%22%23([OH2])[O]%24%20[Co]%20([O]=[W]%25%26([O]%27%28[W]%29%30(O[W]%31%27(O[W]%27%32%33(O[W]%34(O%31)(=O)(=[O]1)O[W]1(O[W]%31%35([O]%36([W](O[W]%36(O%29)(O%32)(=O)O%35)(=[O]%20)(=O)(O%31)O%30)[Si]%24%28[O]%33%341)(=[O]%21)=O)(=[O]%18)(=O)O%27)=O)(O%25)=O)(O%26)=O)(=[O]%23)=O)([O]=%10)([O]%19[Si]9([O]%13%14)[O]3%17[W](O[W]8(O%12)(O%11)(O5)=O)(O2)(O%16)(=O)O%15)[O]7%22)O4)(=O)=O)=O)(O6)=O)=O.[K+].[K+].[K+].[K+].[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.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: 12.7351 ± 0.0006 Å
• b: 18.3684 ± 0.0008 Å
• c: 19.3171 ± 0.0009 Å
• α: 82.947 ± 0.003°
• β: 78.214 ± 0.003°
• γ: 79.073 ± 0.003°
• Cell volume: 4326.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No