Information card for entry 4343878

Structure parameters

• Chemical name: Na12 (W Zn3 (H2 O)2 (Zn W9 O34)2) (H2 O)44
• Formula: Na14 O114 W18
• Calculated formula: Na14 O114 W18
• SMILES: O.O=[W]12(=O)(O[W](=O)(=O)(O[W]345(O[W]6789O[W]%10%11(O[W]%12%13%14(O[W]%15(=O)(O[W](=O)(=O)(O[W]%16%17(O8)(O[W]8%18(O7)(O[W]7(O%10)(O%12)(=O)[O]%13[W](O%14)(O7)(=O)(O[W]([O]%168)(O%18)(O%17)(=O)=O)=O)=O)=O)(O%15)=O)(=O)=O)=O)(O[W]78%10(O[W]%12(O3)([O]4[W](O5)(=O)(=O)(O%12)O[W]3(=O)([O]8[W](O1)(O%11)(O7)(=O)O3)(O%10)=O)(O6)=O)=O)O9)=O)(O2)=O)=O.[Na+].O.O.O.[Na+].O.O.[Na+].O.[Na+].O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.O.[Na+].O.[Na+].O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Reinvestigation of a Ru2-incorporated polyoxometalate dioxygenase precatalyst, "[W Zn Ru(III)2 (H2 O) (O H) (Zn W9 O34)2](11-)": Evidence for marginal, <=0.2 equivalents of Ru incorporation plus faster catalysis by physical mixtures of [Ru(II) (DMSO)4 Cl2] and the parent polyoxometalate [W Zn3 (H2 O)2 (Zn W9 O34)2](12-)
• Authors of publication: Morris, A.M.; Anderson, O.P.; Finke, R.G.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4411 - 4420
• a: 13.0017 Å
• b: 17.8485 Å
• c: 21.026 Å
• α: 90°
• β: 93.223°
• γ: 90°
• Cell volume: 4871.59 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No