Information card for entry 7003386

Structure parameters

• Formula: Cl2 Co9 H109 K15 Na2 O148.6 Si3 W24
• Calculated formula: Cl2 Co9 K15 Na2 O148.6 Si3 W24
• SMILES: [W]1234(O[W]567([O]8[Co]9%10%11([Cl]%12[Co]%13%14%15([O]%16[Co]%17%18%19([Cl]%20[Co]%21%22%23([O]%24[Co]%25%26%27([O]%22[W]%22%28%29(O[W]%30%31%32(O[W]%33(O%28)(O[W]%28%34(=[O][Co]%358([O]9[Co]8%20([O]=[W]9%20(O[W]%36%37(O[W]%38%39(=O)(=[O][Co]%40%16([O]=[W]%16%41(O%38)(O[W]%38(=O)(O[W](O%16)(O%37)(=O)([O]6%38[Si]([O]%108)([O]39%36)[O]%39%41)O7)(=[O]%11)O5)=O)([O]%15[W]356([O]78[W]9%10(O[W]7(O[W]7(=O)(=[O]%26)(O[W]%11%15(=[O]%27)(O[W]%16%26([O]%27([W](O%16)(O%11)(O[W]%27(O3)([O]%19%40)(O%26)=O)(=O)O%10)[Si]8([O]%13%17)[O]7%15)(=[O]%18)=O)=O)O9)(=[O]%14)(O5)=O)(O6)=O)=O)[OH2])O%20)(O1)=O)(=O)O2)([OH2])[O]4%35)([O]=[W]12(O[W]34(O[W]56(O%22)([O]74[W](=[O][Co]%12%24([O]%21[Si]7([O]%29%31%33)[O]%281)([O]%255)[OH2])(O3)(O2)(O6)=O)=O)(O%30)=O)(=O)O%34)[OH2])(=O)O%32)(=[O]%23)=O)=O)=O)[OH2])[OH2])[OH2])[OH2])[OH2])=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[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.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: 13.4409 ± 0.0004 Å
• b: 18.2739 ± 0.0005 Å
• c: 28.8546 ± 0.0007 Å
• α: 86.139 ± 0.002°
• β: 85.279 ± 0.002°
• γ: 82.646 ± 0.002°
• Cell volume: 6993.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No