Information card for entry 4319122

Structure parameters

• Formula: Cu3 K12 O90 Sb2 W18
• Calculated formula: Cu3 K12 O90 Sb2 W18
• SMILES: [K+].[K+].O.[K+].[K+].O.[K+].O.[K+].[K+].[K+].O.[K+].[W]1234(O[W]567(=O)O[W]89%10(O[W]%11%12%13([O]%149[W](O%10)(=[O][Cu]9([O]=1)([O]=[W]1%10%15(O[W]%16%17(O[W]%18%19%20(=[O][Cu]%21([O]=%12)([O]=[W]%12%22(O[W]%23(O8)(O5)([O]5%12[W]8(O%23)(=[O][Cu]%12([O]=[W](O2)(O8)(O6)([O]47[Sb]%145)=O)([O]=[W]245(O[W]6(=[O]%21)(O%18)(O[W]78([O]26[Sb]2[O]6%10[W](=O)(O1)(O[W]6(O%15)(O4)(=O)=[O]%12)(O[W](O%19)([O]%16%202)(O%17)(=O)O8)O7)(O5)=O)=O)=O)[OH2])(=O)O%22)=O)(=O)O%13)[OH2])=O)(=[O]9)=O)=O)[OH2])(O3)(=O)O%11)=O)=O)=O.O.O.O.O.O.O.O.O.[K+].O.[K+].[K+].O.O.O.O.O.O.O.O
• Title of publication: Structural Characterization and Magnetic Properties of Sandwich-Type Tungstoarsenate Complexes. Study of a Mixed-Valent VIV2/VV Heteropolyanion
• Authors of publication: Pierre Mialane; Jérôme Marrot; Eric Rivière; Jérôme Nebout; Gilbert Hervé
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 44 - 48
• a: 30.2359 ± 0.0003 Å
• b: 14.9889 ± 0.0002 Å
• c: 19.1354 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8672.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No