Information card for entry 7030121

Structure parameters

• Formula: H122 K4 Li10 Mo2 Na24 O249 P8 W48
• Calculated formula: K4 Mo2 Na10 O202 P8 W48
• SMILES: [W]1234(=O)[O]5=P67[O]8[W]9%10(O[W]%11%12%13(O[W]%14%15%16([O]%17=P%18%19[O]%12[W]%12%20(O%13)(O[W]%138(O9)(O[W]85(O3)(=O)O[W]359([O]%21[W]%22(O[W]%23%24%25(O[W]%26(=O)(O[Mo](=O)(=O)O[W]%27%28%29([O]=P%30%31[O]%32[W]%33(O%25)(O[W]%25%34(=O)([O]%30[W]%30%35(O%34)(=O)O[W]%32(O%33)(O[W]%32([O]%23P%21(O%26)=[O][W](=O)(=O)(O%32)(O9)O[W](O7)(O%13)(=O)(O8)=O)(O%24)(O5)=O)(O[W](O%31)(=O)(O%35)(O[W]57([O]=P89[O]%13[W]%21%23(O[W]%24%26(O[W](=O)(=O)(O%23)(O9)O%29)([O]8[W](O%24)(O[W]%13(O%21)(O%30)(O7)=O)(O5)(=O)O[W]578([O]9[W]%13(O%26)(O[W]%21%23%24(=O)[O]%26P%299=[O][W](O%13)(=O)(O%24)(O[W]9%13(=O)(=O)O[W]%24%30%31(O[W]%32%33%34([O]%35=P%36%37[O]%38[W](=O)(O%32)(O%15)(O[W]%15%32%38(=O)O[W]%38%35(O%33)(O[W]%33%35([O]%30P%30([O]%39[W](O%24)(O[W]%24%39(O%33)(O[W]%26(O%23)(=O)(O7)O[W](O%29)(O8)(=O)(O[W](O%30)(=O)(O[Mo](O[W](O%37)(O%38)(O%32)(O[W](O%19)(=O)(=O)(O%20)O[W]%17(O%14)(O%12)(O%15)=O)=O)(=O)=O)(O%35)O%24)=O)=O)(O%21)(O9)=O)=[O]%13)(O%31)=O)=O)O[W](O%36)(O%34)(=O)(O[W](=O)(=O)(O%11)(O%16)O%18)=O)=O)=O)=O)(O5)=O)=O)=O)(O%25)=O)(=O)=O)=O)=O)O%28)(O%27)=O)=O)(O%22)O[W](O6)(O%10)(=O)(O4)=O)=O)(O3)(O2)=O)=O)=O)=O)=O)=O)(O1)=O.[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].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: 25.7557 ± 0.0017 Å
• b: 25.7557 ± 0.0017 Å
• c: 22.031 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14614.4 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No