Information card for entry 4344090

Structure parameters

• Formula: C4 H6 Cs3 Na7 O97.7 Si2 U4 W18
• Calculated formula: C4 H6 Cs3 Na7 O97.7 Si2 U4 W18
• SMILES: [U]1234567[O]89[W]%10%11(O[W]%12%13%14([O]%15%16[W]%17%18(O[W]%19%20%21([O]%22%23[Si]8%16[O]8[W]%16(=O)(O%12)(O[W]8(=O)(O%19)(O%18)=[O][U]8%12%18%19([O]=%16)(OC(=[O]8)C)[O]3[U]38%16%24%23([O]%23[W]%25%22(O%20)([O]%20[W]9(O%10)(O[W]%15(O%13)(=O)(O%17)O%25)(=O)[O]1[U]19%23%20([O]=[W]%10%13%15([O]%17[W]%20(=O)(O[W]%22%23%25([O]%26%27[W]%28(O[W]%29([O]%304[Si]%17%27[O]43[W](O%22)(=O)(O[W]34([O]%12[W]%30(O%29)(=O)(O[W]%26(O%23)(=O)(O3)O%28)[O]5%18)(=O)[O]%198)(O%20)=[O]%16)(O%10)(=O)=[O]6)(=O)(O%25)O%15)=O)(O%13)=[O]1)=O)([O]=C(O9)C)[O]7%24)=O)[O]=%21)O%11)=O)(=O)O%14)=O)(=O)=[O]2.[Cs+].[Na+].O.[Na+].O.O.O.O.[Na+].O.O.O.O.O.O.O.O.[Cs+].[Na+].[Cs+].[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.[Na+]
• Title of publication: Stabilization of Tetravalent 4f (Ce), 5d (Hf), or 5f (Th, U) Clusters by the [α-SiW9O34](10-) Polyoxometalate.
• Authors of publication: Duval, Sylvain; Béghin, Sébastien; Falaise, Clément; Trivelli, Xavier; Rabu, Pierre; Loiseau, Thierry
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8271 - 8280
• a: 25.8519 ± 0.0012 Å
• b: 19.0881 ± 0.0009 Å
• c: 18.1113 ± 0.0009 Å
• α: 90°
• β: 100.472 ± 0.003°
• γ: 90°
• Cell volume: 8788.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No