Information card for entry 1534429

Structure parameters

• Chemical name: Na14 (Zr4 O2 (O H)2 (H2 O)4) (P2 W16 O59)2 (H2 O)57
• Formula: Na4 O183 P4 W32 Zr4
• Calculated formula: H124 Na4 O183 P4 W32 Zr4
• SMILES: O1[W]234(=O)[O]5=P67[O]8[W]9%10%11(=[O][Zr]%12%13%1415[O]=[W]15(=O)(O%10)O[W]%10(O3)([O]71)(=O)O[W]13(O2)([O]6[W]26(=[O][Zr]7([OH][Zr]%15%16%17%18([O]=[W]%19%20%21(=[O][Zr]%22([OH]%12)([O]%14%15)([OH2])([OH2])[O]=[W]%12%14%15(O[W]%23%24(=[O]%16)(=O)O[W]%16%25([O]=%17)(=O)O[W]%17%26(O%21)([O]%16P([O]%12%24)(=[O]%18%19)[O]%12[W]%16(=[O]%22)(=O)(O%14)O[W]%12(O%20)(=O)(O%17)O[W]%12%14%17([O]%18P%19%20=[O]%21[W]%22%24(O%23)(O[W]%23%21(O%15)(=O)O[W]%18(O%16)(=O)(O%14)O[W]%14%15(O%23)([O]%16%20[W]%18(O[W]%16(O%24)(O[W]%16(O%25)(O%22)(=O)[O]%19[W](O%26)(O%16)(O%12)(=O)O%18)(=O)O%14)(O%17)(O%15)=O)=O)=O)=O)=O)=O)=O)[O]%137)([OH2])([OH2])([O]=4)[O]=[W]8(O9)(O[W]478(O[W]9%12(O%11)(O[W]%11%13(O5)(=O)[O]5P%14(=[O]49)[O]4[W]9%15(O1)(O[W]5(O%10)(O%11)(=O)O[W]15([O]%10%14[W](O%12)(O%13)(O[W]%10(O7)(O[W]4(O9)(O6)(O8)=O)(=O)O5)(O1)=O)(O%15)=O)=O)=O)=O)(=O)O2)(=O)O3)=O)=O.[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.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+]
• Title of publication: Polyoxometal cations within polyoxometalate anions. Seven-coordinate uranium and zirconium heteroatom groups in ((U O~2~)~12~(μ~3~-O)4(μ~2~-H~2~ O)~12~(P~2~ W~15~ O~56~)~4~)^32-^ and (Zr~4~(μ~3~-O)~2~(μ~2~-O H)~2~(H~2~ O)~4~(P~2~ W~16~ O~59~)~2~)^14-^
• Authors of publication: Gaunt, A. J.; May, I.; Collison, D.; Pope, M. T.; Holman, K. T.
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2003
• Journal volume: 656
• Pages of publication: 101 - 106
• a: 12.89 Å
• b: 14.01 Å
• c: 27.138 Å
• α: 79.881°
• β: 79.571°
• γ: 65.93°
• Cell volume: 4372.35 ų
• Number of distinct elements: 5
• 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