Information card for entry 7030120

Structure parameters

• Formula: Cu10 H144 Li16 Na12 O265 P8 W48
• Calculated formula: Cu10 Li16 Na12 O265 P8 W48
• SMILES: [W]1234(O[W]567(O[W]89%10(O[W]%11%12(O5)(O[W]5%13%14(O[W]%15%16%17(O[W]%18(O5)(O8)(=O)[O]%13P58=[O][Cu]([O]=%18)([O]=9)([OH2])[O]=P9([O]%13[W]%18%19(O[W]%20(O6)(O[W]6%21(O1)(O[W]1%22%23(O[W]%24%25%26([O]%27%28[W]%29%30%31(O[W]%32%33%34(O[W]%35%36(O%29)(O[W]%29%37%38(O[W]%39%40%41(O[W](O%29)(O%32)(=O)(=[O][Cu]%29%32%42(O[Cu]%43%44([O]%45[W]%46(O[W]%47%48([O]%29=P%29%27[O]%27[W]%49%50(O[W]%51%52([O]%30P([O]%33%35)(=[O][Cu]([O]=%36)([O]=%37)([OH2])[O]=[W]%27(O%49)(O%24)(=O)O[W]%24%27(O[W]%30(O[W](O2)(O[W](O%24)(O%50)([O]%29%27)(O%48)=O)([O]%30=P%45([O]1[Cu](O[Cu]%28([OH2])([O]%26%31)(O%42)[OH2])([OH2])([O]=%23)(O%44)[OH2])[O]36)(O%46)=O)(O%22)(=O)O%21)(O%25)=O)[O]1[W]2(O%34)(O%52)(O[W]1(O%51)(O[W]13(O[W]6(O%40)(O[W]%21%22%23(O[W]%24%25(O%39)(=O)O[W]%26%27%28(O[W]%29%30%31(O[W]%33%34%35(O[W]%36%37(=O)([O]%39=P%40([O]%42[W]%44%45(O[W]%46([O]%48=P%49([O]%50[W]([O]%18[W]%13(O%20)(O[W]%13%18([O]8[W](O%14)(O[W]([O]%155)(O%13)(O[W]5(O[W](O%36)(=O)([O]%405)(O%33)O%17)(=O)(O%29)O%44)(O%16)=O)(O%18)(O%19)=O)(=O)=O)(=O)=O)(O%21)(O[W](O%34)(O%26)(=O)(O%23)[O]%27%49)(=O)=[O][Cu]5%50(O[Cu]%39([OH2])(O%37)(O[Cu]%42([OH2])(O[Cu]%48([OH2])([O]=%46)(O5)[OH2])([O]=%45)[OH2])[OH2])([OH2])[OH2])[O]%22%24)(O%25)(O%28)=O)(O%31)=O)[O]%30%35)=O)=O)=O)=O)=O)(O[W](O1)(O2)([O]3P(=O)(O6)[O]%38%41)(=O)=O)=O)(=O)=O)(=O)=O)=O)(=O)=O)(=O)O%47)(=O)=[O]%32)(O4)(=O)=[O]%43)([OH2])[OH2])[OH2])=O)=O)=O)=O)=O)=O)=O)=O)=O)(=O)[O]79)(=O)O%11)[O]%10%12)=O)=O)=O)=O)=O)=O.[Na+].[Li+].[Na+].[Li+].[Na+].[Li+].[Na+].[Li+].[Na+].[Li+].[Na+].[Li+].[Na+].[Li+].[Na+].[Li+].[Na+].[Li+].[Na+].[Li+].[Na+].[Li+].[Na+].[Li+].[Li+].[Li+].[Li+].[Li+].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.O
• Title of publication: Two wheel-like polytungstates obtained by incorporation of two {Cu4} clusters and two molybdenum centers in the {W48} wheel.
• Authors of publication: Liu, Zhu-Jun; Zhang, Zhi-Ming; Fu, Hai; Li, Yang-Guang; Chen, Wei-Lin; Wu, Hai-Hong; Wang, En-Bo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11700 - 11705
• a: 37.588 ± 0.008 Å
• b: 25.978 ± 0.005 Å
• c: 14.42 ± 0.003 Å
• α: 90°
• β: 98.85 ± 0.03°
• γ: 90°
• Cell volume: 13913 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No