Information card for entry 7231650

Structure parameters

• Formula: C8 H10 Ce4 Na10 O106 Si2 W18
• Calculated formula: C8 H10 Ce4 Na10 O106 Si2 W18
• SMILES: [W]1234([O]5[W]678(O[W]9%10%11(=O)O[W]%12%13%14([O]%15%16[W]%17(O[W]%18%19%20([O]%21[W](O%12)(=O)(=[O][Ce]%12%22%23%24([O]%25[Ce]%26%27%28%29%30([O]6[Ce]6%31%32%335([O]3[Ce]35%34%25([O]4([W](O2)(O%18)(=[O]3)(=O)O%17)[Si]%16%21[O]7%10%26)([O]%276)[O]%24[W]234([O]%22[W]67(O[W]%10%16(=O)([O]%17%18[W]%21%22(O[W]%24%25([O]%26[W]%27(O[W]%17(O%10)(=O)(O[W](O6)(O%27)([O]%297[Si]%18%26[O]53[W](=O)(O%21)(O2)(O%25)=[O]%34)(=[O]%30)=O)O%22)(=O)(O%24)=[O]%32)(=O)=[O]%31)(O%16)=O)O4)([O]%23%28)=O)=O)[O]=C(O%33)CCC(=O)O)O%11)([O]=%20)[O]=C(O%12)CCC(=O)O)(O%19)O9)=O)(O[W]%15(=O)(O1)(O%13)O8)(=O)O%14)=O)=O)=O.[Na+].[Na+].O.O.O.O.O.O.[Na+].O.O.O.O.O.[Na+].O.[Na+].O.O.[Na+].[Na+].O.O.O.O.O.O.[Na+].O.O.O.O.O.[Na+].O.[Na+].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: 13.5499 ± 0.0003 Å
• b: 12.9776 ± 0.0003 Å
• c: 26.9266 ± 0.0006 Å
• α: 90°
• β: 98.2429 ± 0.0013°
• γ: 90°
• Cell volume: 4686 ± 0.18 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No