Information card for entry 1534579

Structure parameters

• Chemical name: Na9 K (Fe4 (H2 O)2 (Fe W9 O34)2) (H2 O)34
• Formula: Fe6 H72 K Na9 O104 W18
• Calculated formula: Fe6 K Na9.02 O104.02 W18
• SMILES: [K+].O.O=[W]1234O[W]567(=O)O[W]89(=O)(O3)O[W]3%10%11(=O)[O]%129[W]9(O8)(O%11)(=O)[O]8[Fe]%11%13%14([OH2])[O]%15[W]%16(O1)([O]14[W]4(O2)(O[W]2%17(O5)([O]57[W](O6)(=O)(=[O][Fe]67([OH2])([O]=%17)[O]%17([Fe]%1215)[Fe]15%15([O]=4)[O]=[W]4%12%15(O[W]%18%19%20(O[W]%21%22%23(=O)O[W]%24%25(O%19)(=O)O[W]%19%26([O]%24([W](O%25)(=O)(=[O]%11)(O%12)O%19)[Fe]%11%12[O]%19%21[W]%24(O%23)(O%26)(=O)=[O][Fe]8%17([O]=%10)([O]6[W]%19(O%22)(O[W](O%20)([O]4%18%11)(O%15)(=O)[O]71)(O%24)=O)[O]%145%12)(=[O]%13)=O)=O)=O)(O3)O2)=O)(=O)O%16)(O9)=O.[Na+].[Na+].O.[Na+].[Na+].O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].O.[Na+].O.O.O.O.O.O.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.; Burgemeister, K.; Droste, E.; Krebs, B.
• Journal of publication: Journal of Cluster Science
• Year of publication: 2002
• Journal volume: 13
• Pages of publication: 369 - 379
• a: 12.316 ± 0.002 Å
• b: 13.716 ± 0.003 Å
• c: 14.925 ± 0.003 Å
• α: 99.36 ± 0.03°
• β: 104.21 ± 0.03°
• γ: 101.55 ± 0.03°
• Cell volume: 2334.3 ų
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No