Information card for entry 4339369

Structure parameters

• Formula: Cu4 H0 Na8 O90 Si2 W16
• Calculated formula: Cu4 Na8 O90 Si2 W16
• SMILES: O1[W]234(O[W]567(O[W]8([O]25[Si]25[O]9[W]%101(O6)O[W]169(=O)O[W]9%11(=[O][Cu]%12([O]2[Cu]2([O]%12[W]%12%13%14(O[W]%15%16%17(O[W]%18%19(O[W]%20(O[W]%21%22(=O)([O]%23%24[W]%25(O[W]%26%23(=[O][Cu]%23([O]([Cu]([O]%10%23)([O]=6)[O]=%17)[Si]%24([O]%12[W](=O)(O%26)(O%13)(O%25)=[O]2)[O]%16%18%20)[OH2])(=O)O%21)(=O)(O%19)O%22)=O)(=O)(O%15)=O)(O%14)=O)=O)=O)[O]=4)[OH2])(O[W]2([O]59[W](O8)(=O)(=O)(O%11)O2)(=O)(O1)O7)=O)(=O)(O3)=O)=O)=O.[Na+].O.[Na+].O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.[Na+].O.O.O.O.O
• Title of publication: Ferromagnetically coupled dimer of Cu(II)-substituted gamma-decatungstosilicate.
• Authors of publication: Liu, Hongsheng; Gómez-García, Carlos J; Peng, Jun; Feng, Yuhua; Su, Zhongmin; Sha, Jingquan; Wang, Lixia
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10041 - 10043
• a: 17.965 ± 0.008 Å
• b: 10.722 ± 0.005 Å
• c: 21.757 ± 0.009 Å
• α: 90°
• β: 101.943 ± 0.006°
• γ: 90°
• Cell volume: 4100 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No