Information card for entry 7239599

Structure parameters

• Formula: C3 H3 As3 Ce6 Na15 O156 W27
• Calculated formula: C3 H3 As3 Ce6 Na15 O156 W27
• SMILES: [W]1234(O[W]567(O[W]89%10(O[W]%11%12%13(O[W](O8)(O2)(O[W]28(O1)(O[W]1%14(=[O][Ce]%15%16%17%18%19([O]%20[Ce]%21%22%23%24([O]%25[Ce]%26%27%28%29%20([OH]%21)(OC=O)[O]%20%17[Ce]%17%21%30%31%32([O]%15[Ce]%15%33%34%35%36([O]%23[Ce]%23%37%25([OH]%22)([OH]%26)([O]%29%17)(OC=O)[O]%21%15=[As]%15%17[O]%21%22[W]%25%26(O[W]%29%38%22(O[W]%21(O[W]%21%22(O[W]%39%40(O[W](=[O]%23)(O[W]%23%41(O[W]%42(O[W](O%23)(=O)([O]%17%41%42)(O%26)=[O]%32)(=O)(O%38)O%40)(=[O]%37)=O)(O%21)([O]%15%22%39)=O)(O%29)=O)(=[O]%34)=O)(O%25)(=[O]%35)=O)=O)(=[O]%30)=O)[O]=[W]%15(O1)(O%12)(O[W](O6)([O]79=[As]([O]%18%24%33)(O32)[O]%13%14%15)(=[O]%36)(=O)O%10)=O)[O]=[W]123(O[W]67(O[W]9%10%12(O[W]%13%14(O[W]%15(=[O]%27)(O1)(=O)[O]2%13[As]1%20=[O]2[W]%13(O[W](=[O]%16)(=O)(O%10)([O]6%121)O7)(O[W]2(=[O]%28)(O[W](O9)(O%13)(=O)O%14)(=O)O%15)(=O)=[O]%19)(=O)O3)=O)(=[O]%31)=O)=O)(OC=O)([O]=5)[O]=4)[O]=8)(O%11)=O)=O)=O)=O)=O)=O)=O.[Na+].O.O.O.O.[Na+].O.O.[Na+].O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O.O.O.O.O.[Na+].[Na+].O.[Na+].O.O.O.O.O.O.O.[Na+].[Na+].O.O
• Title of publication: Influence of pH on CeIV-[AsIIIW9O33]9− association for the formation of hexanuclear cerium(iv) oxo-hydroxo-clusters stabilized by trivacant polyanions
• Authors of publication: Dufaye, Maxime; Duval, Sylvain; Stoclet, Gregory; Loiseau, Thierry
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 2
• Pages of publication: 371 - 380
• a: 18.4264 ± 0.0012 Å
• b: 19.3634 ± 0.0012 Å
• c: 26.7239 ± 0.0015 Å
• α: 105.118 ± 0.003°
• β: 98.139 ± 0.003°
• γ: 112.226 ± 0.002°
• Cell volume: 8207.4 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1086
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No