Information card for entry 7019806

Structure parameters

• Formula: C156 H352 Mn2 N15 Na O112 P4 W30
• Calculated formula: C133.4 H277.8 Mn2 N14.6 Na0.6 O112 P4 W30
• SMILES: C(CCC)[N+](CCCC)(CCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCC)(CCCC)(CC)CCC.N#CC.N#CC.N#CC.N#CC.[O]12[W]345(O[W]678(=[O][Mn]9%10%11%12[O]%13%14=P%15%16[O]%17[W]%18%19%20(=O)O[W]%21%22%17(=O)=[O][Na]%17%13([O]=%18)[O]%13[Mn]%18%23%24%14[O]%149=P9%25[O]7[W]7(O8)(O[W]8%26%13(=O)[O]%25[W]%13(O[W]%25%27%28(O[W](O6)(O[W]6%29(O3)(O[W]3%30(O[W]%31%32%33(O[W]%34(=O)(O[W]1(=O)(O7)(O%33)O5)(O[W]15(=O)(O[W]7(=O)(O6)(O[W](=O)(O%31)([O]3%32P2(=[O]%345)[O]%297)(O1)O%30)O%28)O%13)O8)=O)(O4)=O)=O)(=[O][Na]1%14([O]=%25)[O]%10[W]234(O[W]56(O[W]78%10(O[W]%13%14(O[W]%25%28(=O)(O[W]%29%30%31(=O)[O]%32%25[W]%25(=O)(O[W]%33%34(=O)(O[W]%35(=O)(O[W](=O)(O%29)(O%13)(O[W](O%21)(=O)([O]%162)(=[O]%11)O4)[O]%14=P%32([O]%34%35)[O]%10[W](=O)(O%25)(O%33)(O[W](=O)(O5)([O]%156)(=[O]%23)O%20)O8)(O%30)O%22)O%19)(O%31)O%28)O7)(=O)O3)=O)(=O)[O]%241)=O)(=O)[O]9%27)=O)(=O)(=[O]%18)O%26)(=O)[O]%12%17)=O)=O.N#CC.N#CC.CCC[N+](CC)(CCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Organic-soluble lacunary {M(2)(P(2)W(15))(2)} polyoxometalate sandwiches showing a previously unseen αββα isomerism.
• Authors of publication: Gabb, David; Pradeep, Chullikkattil P.; Miras, Haralampos N.; Mitchell, Scott G.; Long, De-Liang; Cronin, Leroy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 33
• Pages of publication: 10000 - 10005
• a: 15.4501 ± 0.0002 Å
• b: 19.6621 ± 0.0004 Å
• c: 28.1389 ± 0.0005 Å
• α: 70.288 ± 0.002°
• β: 89.395 ± 0.002°
• γ: 67.7 ± 0.002°
• Cell volume: 7377.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No