Information card for entry 7239598

Structure parameters

• Formula: C9 H9 As Ce6 Na6 O85.75 W9
• Calculated formula: C9 H9 As Ce6 Na6 O85.75 W9
• SMILES: [W]1234(O[W]567(=[O][Ce]89%10%11%12%13[O]=[W]%14%15(O[W]%16%17%18(O[W]%19%20%21(O[W]%22%23(O[W]%24%25(O[W](=[O][Ce]%26%27%28%29%30([O]%31[Ce]%32%33%34([O]=CO%12)(OC=[O]%29)([O]9[Ce]9%12%29([O]8[Ce]8%35([O]=%16)([O]=%20)([O]=CO[Ce]%31([O]%268)([O]=CO%32)([O]=CO%28)([OH2])([O]9%35)([O]%33%12)OC=[O]%29)([O]%13%30)[OH2])(OC=[O]%34)([O]=CO%11)OC=O)([O]%10%27)[OH2])[O]=%24)(O1)(=O)(O6)[O]47[As]([O]%21%22%25)[O]%15%18[W](O2)(O%14)(O%17)(O%23)=O)(O%19)=O)(O3)=O)=O)=O)(O5)=O)=O)=O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.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: 11.9097 ± 0.0007 Å
• b: 15.2185 ± 0.0008 Å
• c: 21.8082 ± 0.0013 Å
• α: 90.152 ± 0.003°
• β: 101.47 ± 0.003°
• γ: 101.06 ± 0.003°
• Cell volume: 3798.4 ± 0.4 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 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: 0.1101
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No