Information card for entry 1534575

Structure parameters

• Chemical name: Na13 (H3 Cu4 (H2 O)2 (Cu W9 O34)2) (H2 O)42
• Formula: Cu6 H91 Na13 O112 W18
• Calculated formula: Cu6 Na13 O112 W18
• SMILES: [Na+].O.O.O.[Na+].O.[Na+].O.O.O=[W]1234=[O][Cu]5678[O]9[W]%10%11(O[W]%12%13(O[W]%14%15%16(=O)O[W]%17%18(=O)(O[W]%19%20%21([O]%22%18[W](O%17)(O3)(=O)(=[O][Cu]3%17([O]%18[W]%23%24%25(O[W]%26%27%28(O[W]%29%30%31(=O)O[W]%32%33(=O)(O[W]%34%35%36([O]%37%33[W]%33(O%32)(O[W]%32(O%27)([O]%23%28[Cu]%37([O]%23%31[W](O%29)(O%25)(=O)([O]53)O[W]%23(O%30)(O%36)(=O)=[O]6)[O]38[Cu]9([O]=%33)([O]=%35)([O]5[W]6(O%14)([O]8%16[W](O%15)(O%21)(O6)(=O)=[O][Cu]%1835([O]=%32)[O]7%17[Cu]%228[O]2%10%13)(O%11)=O)[OH2])(=O)O%24)(=O)O%34)=O)O%26)=O)=O)([O]=%20)[OH2])O%19)=O)O%12)(=O)O1)(O4)=O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.[Na+].O.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O
• Title of publication: Syntheses and X-ray characterization of novel (M4 (H2 O)2 (X W9 O34)2)(n-) (M = Cu(II), X = Cu(II) and M = Fe(III), X = Fe(III)) polytungstates
• Authors of publication: Limanski, E.M.; Piepenbrink, M.; Droste, E.; Burgemeister, K.; Krebs, B.
• Journal of publication: Journal of Cluster Science
• Year of publication: 2002
• Journal volume: 13
• Pages of publication: 369 - 379
• a: 13.054 ± 0.003 Å
• b: 17.729 ± 0.004 Å
• c: 20.998 ± 0.004 Å
• α: 90°
• β: 93.5 ± 0.03°
• γ: 90°
• Cell volume: 4850.6 ų
• Number of distinct elements: 5
• 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