Information card for entry 7037051

Structure parameters

• Formula: As4 Na12 O198 U6 W36
• Calculated formula: As4 Na12 O198 U6 W36
• SMILES: [U]1234567[O]=[W]89%10%11O[W]%12%13%14(O[W]%15%16%17([O]%18%19[As]%20[O]%21%22[W]%23%24(=[O]1)(O%10)=[O][Na]([OH2])([OH2])([OH2])([OH2])[O]=[W]1%10%25([O]%26%27[W]%28%29%30(=[O][U]%31%32%33%34%35%36[O]2[U]2%37%38%39%40%41[O]=[W]%42%43%44%45O[W]%46%47%48(O[W]%49%50%51([O]%52%53[As]%54[O]%55%56[W]%57%58(=[O]2)(O%44)=[O][Na]([OH2])([OH2])([OH2])([OH2])[O]=[W]%22(O[W]%21(O%16)(O%14)(=O)O%24)(=[O]%40)(O%23)O[W]%19(O[W]2%14%18(O%15)=[O][U]%15%16%18%19%21([O]4%37)[O]4[U]%22%23%24%37([O]3%31)([O]=[W]3%31%40%44[O]%59%60[As]%26[O]%26%61[W]%62%63(O[W]%64%26(=[O]%32)(O[W]%61(O%62)(=[O]%22)(O%44)=[O][Na]([OH2])([OH2])([OH2])([OH2])[O]=[W]%22%26%32([O]%44%61[W]%62%65%66(=[O][U]%67%684([O]%33%38)([O]%34%23)([O]=[W]4%23(O[W]%33%34%38(O[W]%69%70([O]%71%72[As]%44[O]%23%34[W](O4)(O%33)(=[O]%19)(O[W]%72(O%69)(=[O]%18)(O[W]%71(=[O]%37)(O%32)(=[O][Na]([O]=%40)([OH2])([OH2])([OH2])[OH2])O%70)=[O][Na]([O]=[W](O8)(O%12)([O]%11%13%20)(=[O]%15)O%14)([OH2])([OH2])([OH2])[OH2])=[O][Na]([O]=2)([OH2])([OH2])([OH2])[OH2])(O[W]%61(O%22)(O%38)(=O)O%66)=O)=O)(=[O][Na]([O]=[W](O%42)(O%46)([O]%45%47%54)(=[O]%68)O[W]%53(O%49)(=[O]%67)(O[W]%52(=[O]%36)(O[W]%56(O[W]%55(O%48)(=O)(O%58)O%50)(=[O]%35)(O%57)=[O][Na]([O]=%29)([OH2])([OH2])([OH2])[OH2])(=[O][Na]([O]=%64)([OH2])([OH2])([OH2])[OH2])O%51)=[O][Na]([O]=%65)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])[OH2])O%62)[O]%39%21)O%26)=[O]%24)O%28)(O[W]%59(O3)(O[W]%27(O1)(O%63)(=O)O%30)(=O)O[W]%60(O%31)(=[O]7)(O%25)=[O][Na]([O]=9)([OH2])([OH2])([OH2])[OH2])=O)[O]5%16)(O%17)(=[O]%41)=[O][Na]([O]=%43)([OH2])([OH2])([OH2])[OH2])=O)=O)O%10)=[O]6)=O)=O.O.O.O.O.O.O.O.O.O.O
• Title of publication: B-α-[AsW9O33](9-) polyoxometalates incorporating hexanuclear uranium {U6O8}-like clusters bearing the U(IV) form or unprecedented mixed valence U(IV)/U(VI) involving direct U(VI)[double bond, length as m-dash]O-U(IV) bonding.
• Authors of publication: Duval, Sylvain; Sobanska, Sophie; Roussel, Pascal; Loiseau, Thierry
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 19772 - 19776
• a: 38.6891 ± 0.0008 Å
• b: 38.6891 ± 0.0008 Å
• c: 38.6891 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 57912 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 203
• Hermann-Mauguin space group symbol: F d -3 :2
• Hall space group symbol: -F 2uv 2vw 3
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No