Information card for entry 7019965

Structure parameters

• Formula: H86 K20 Na2 O182 Si4 W36 Zn12
• Calculated formula: H14 K20 Na2 O182 Si4 W36 Zn12
• SMILES: [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].O=[W]1234O[W]567(=O)O[W]89(=O)(O1)[O]47[Si]14[O]7%10[W]%11%12(O2)(=O)O[W]2%13(O3)(=O)O[W]3%14(O5)(=O)O[W]5%15(O6)(=O)O[W]6%16(O8)(=O)O[W]7(O9)(=O)(O%11)[O]7[W]89%11([O]%17%18[Si]%19%20[O]%21%22[W]%23%24%25(=[O][Zn]%26%27%28%22[OH]%22[Zn]%29%107%18[O]%12[W]%17(O8)(=O)(O%23)O[W]78([O]%10%20[W]%12(O[W]%17%18(=[O][Zn]%20%23%30([OH]%29[Zn]([O]456)([O]=%15)([O]=%16)([O]4[Zn]%22([O]123)([O]=%13)([O]=%14)[OH]%26[Zn]14([O]%28%30)([OH2])[OH][Zn]23([O]4[Zn]56%13%14[O]%15%16[Si]%22%26[O]%28%29[W]%30%31%32(=O)O[W]%33%34%28(=O)O[W]%28%29(=O)(O%30)O[W]%29%16(O[W]%15(O%34)(O[W]%15%16(O%33)(O[W]%30%33(O%32)(O[W]%32%34(O%31)(=O)O[W]%31(O%28)(O%29)(=O)[O]%22%32[Zn]%22%28%29%32[O]%34[W]%34%35%36([O]%37%32[Si]%32%38[O]%39%40[W]%41%42(=[O][Zn]%43%44%40([OH]%28[Zn]4([O]%26%15%30)([O]=%33)([O]=%16)[OH]2%43)[O]=[W]2%39(O%41)(=O)O[W]4%15%16(=[O][Zn]%26([OH]%13%29)([O]=[W]%13([O]%324%26)(O%15)(=O)O[W]%37([O]%31%22)(=O)(O%34)O[W]4%15([O]%22%38[W](O%36)(O%42)(O4)(=O)O[W]%22(O2)(O%16)(=O)O%15)(O%13)=O)([OH]%14)[O]3%44)=O)(O%35)=O)=O)=O)=O)(=O)=[O]5)(=O)=[O]6)([OH2])[OH]1)[OH]%23)[O]=[W]1([O]%19%17%20)(O[W]%21(=[O]%27)(O%24)(=O)O[W]%10(O1)(O8)(=O)O%12)(=O)O%18)(=O)O9)(O%11)(=O)O7)(O%25)=O)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A dodecanuclear Zn cluster sandwiched by polyoxometalate ligands.
• Authors of publication: Zhu, Guibo; Geletii, Yurii V.; Zhao, Chongchao; Musaev, Djamaladdin G.; Song, Jie; Hill, Craig L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 33
• Pages of publication: 9908 - 9913
• a: 16.5333 ± 0.0012 Å
• b: 17.6488 ± 0.0013 Å
• c: 19.2093 ± 0.0014 Å
• α: 70.299 ± 0.001°
• β: 77.521 ± 0.001°
• γ: 63.806 ± 0.001°
• Cell volume: 4720.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No