Information card for entry 7231649

Structure parameters

• Formula: Ce9 Cs3.25 Na7 O182.25 Si4 W36
• Calculated formula: Ce9 Cs3.25 Na7 O182.25 Si4 W36
• SMILES: [W]1234([O]5[W]678(=[O][Ce]9%10%11%12%13%14([OH][Ce]%15%16%17%18%19%20%21[O]%22%23[W]%24(O[W]%25%26%27(=O)[O]%28%29[W]%30%31(O[W]%32%33(=[O][Ce]%34%35%36([OH]9)([O]9%37[W]%38%39(O[W]%40%41(=[O]%11)(O[W]%11%42(O[W]%43%44([O]%45%15[W]%15(O[W]%46%47([O]%48([W](O%42)(O%43)(O[W]%48(O%40)(O%38)(=O)O%47)(=O)O%46)[Si]%37%45[O]%13%41%11)(=O)O[W]9(O%15)(=O)(=[O]%36)O%39)(=[O]%21)(=O)O%44)(=[O]%18)=O)(=[O]%10)=O)=O)(=[O]%34)=O)([O]%32([W]9(O%33)(O[W]%22(O%24)(=[O]%17)(O[W]%28(O%26)(O%30)(=O)O9)=O)(=[O]%35)=O)[Si]%23%29[O]37%12)([O]%14%19)[OH]%20)(O8)=O)([O]6[Ce]3675([O]5[Ce]89%10%11%12([O]6[Ce]6%13%14%15%17([O]%18[Ce]%19%20%21%22([O]%23[Ce]%24%26%285([O]8[Ce]58%18%23([O]9%15)([O]=[W]9%15%18([O]%23[W]%29(O5)(O[W]5%30(=[O]%19)(O[W]%19%32(O[W]%33%34(O[W]%35(=[O]%24)([O]%28%33[Si]%23([O]%23%24[W]%28(O%34)(O%19)(O[W]%24(O%29)(O%30)(O[W]%23(O%15)(O%35)(O%28)=O)=O)=O)[O]%225%32)(O9)=O)(=[O]%26)=O)(=[O]%21)=O)=O)(O%18)=O)=O)[O]=[W]59%15([O]%18[Si]%19%21[O]%22%13[W]%13%23(=[O]%14)(O[W]%14%24(=[O]%10)([O]%11%19[W]%10(=[O]%12)(O%14)(=O)O[W]%18(=[O]8)(O[W]8%11([O]%12%21[W](O%23)(O%24)(=O)(O%11)O[W]%12(O[W]%22(=[O]%17)(O%13)(O5)=O)(O%15)(=O)O8)(O%10)=O)(O9)=O)=O)=O)=O)([O]7%20)[OH2])([O]36)[OH2])[OH2])[OH2])([O]1%25)[O]%27%31)=O)(O4)(=[O]%16)=O)[O]=2)=O)=O.[Cs+].[Cs+].O.O.[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Cs+].O.O.O.O.O.O
• Title of publication: Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates
• Authors of publication: Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 44
• Pages of publication: 7144
• a: 18.741 ± 0.0011 Å
• b: 21.5447 ± 0.0012 Å
• c: 30.606 ± 0.0016 Å
• α: 70.021 ± 0.003°
• β: 86.051 ± 0.003°
• γ: 66.33 ± 0.003°
• Cell volume: 10603.4 ± 1.1 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 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: 0.1097
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No