Information card for entry 7100234

Structure parameters

• Formula: C8 H114 K8 Na10 O184 P4 W32 Zr4
• Calculated formula: C8 H6 K7 Na6 O182.5 P4 W32 Zr4
• SMILES: [W]1234(=O)O[W]567(=O)O[W]89(=O)(O1)[O]25P12=[O]5[W]%10%11(O3)(=O)O[W]3%12([O]2[W]2(O7)(=O)(O[W]7%13([O]1[W]1(O9)(=O)(O[W]5(O8)(=O)(O%10)O[W]589(=O)O[W]%10%14(O%11)(=O)O[W]%11%15(O%12)(=O)O[W]%12%16(O2)(=O)O[W]2%17(O%13)(=O)O[W]%13(O1)(=O)(O5)[O]2=P([O]8%10)([O]%11%12)[O]1[W]2(O%14)(O%15)(=[O][Zr]581([O]1[Zr]%10%11%12%14(OC(=O)[C@@H]1CC(O%10)=O)[O]8[Zr]18%10%15([O]%18[Zr]%19(OC(=O)[C@@H]%18CC(=O)O%19)([O]=%13)([O]=9)([O]51)[O]=2)[O]=[W]12(=[O]%11)(=O)O[W]59%11([O]%13[W]%18(=[O]%14)(=O)(O[W]%14%19(=[O]%12)([O]%12[W]%20(=[O]%10)(=O)(O%14)O[W]%10%14(=[O]8)([O]([W](O1)(=O)(O%10)(O5)O[W]158(=O)O[W]%10%21(O%14)(=O)O[W]%14%22(O%20)(=O)O[W]%20%23(O%19)(=O)O[W]%19%24(O%18)(=O)O[W]%18(O%11)(=O)(O1)[O]%19=P([O]%14%20)([O]5%10)[O]15[W]%10(O%23)(O%24)(O[W]5(O8)(O%18)(O[W]1(O%22)(O%21)(O%10)=O)=O)=O)P%13%12=[O]%152)=O)=O)O9)=O)([O]=%16)[O]=%17)=O)O7)(O6)=O)O3)(O4)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Stereoisomerism in polyoxometalates: structural and spectroscopic studies of bis(malate)-functionalized cluster systems
• Authors of publication: X.Fang; T.M.Anderson; Y.Hou; C.L.Hill
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 13.8263 ± 0.0009 Å
• b: 14.3085 ± 0.001 Å
• c: 26.3344 ± 0.0018 Å
• α: 92.871 ± 0.001°
• β: 96.639 ± 0.001°
• γ: 118.518 ± 0.001°
• Cell volume: 4513.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No