Information card for entry 7026276

Structure parameters

• Formula: Cu4 H96 N12 O92 Si2 W18
• Calculated formula: Cu4 N12 O92 Si2 W18
• SMILES: [NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O]123[Cu]456([OH2])[O]=[W]789(=O)[O]%10[W]%11(=O)(O[W]%12%13%14(=O)=[O][Cu]%15%16%172[O]2%18[Cu]%19%20%21([OH2])[O]%22[W]%23%24%25(=O)[O]%26[Si]1%10[O]1%12[W]%10(=O)(O[W](=O)(O[W](=O)(O[W]%26(O9)(=O)(=[O][Cu]932%22[O]6[W]236(=O)O[W]%12%22(=O)([O]5%15)O[W]5%15(=O)O[W]%26(=O)(O%17)([O]%12[Si]%12%18[O]%17[W]%18%27(=O)(O[W]%28(=O)(O9)([O]3%12[W](=[O]2)(=O)(O[W](O5)(=O)(O[W]%17(O%27)(=O)(O%26)O%20)O%18)(O%28)O%15)O6)O%21)O%22)O%25)(O%23)O%10)(O7)O%11)(O[W]1([O]%16%19)(O%24)(=O)O%14)O%13)(O8)O4.O.O.O.O.O.O.O.O.O.O.O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Structures, magnetic and catalytic properties of three sandwich-type silicotungstates containing tetranuclear copper(II) clusters.
• Authors of publication: Yu, Fan; Long, Yu-Xiang; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7588 - 7594
• a: 16.396 ± 0.002 Å
• b: 13.812 ± 0.0019 Å
• c: 19.875 ± 0.003 Å
• α: 90°
• β: 112.518 ± 0.002°
• γ: 90°
• Cell volume: 4157.8 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No