Information card for entry 7015837

Structure parameters

• Formula: C6 H76 Dy3 Fe3 K4.5 N6 Na7.5 O137 Si3 W30
• Calculated formula: C6 H24 Dy3 Fe3 K4.5 N6 Na4 O136.5 Si3 W30
• SMILES: [W]1234(=O)[O]5[Fe]6789[O]%10[W]%11%12(O[W]%13%14%15(O[W]%16%17(=O)(O[W]%18%19%20(O[W]%21%22%23(O[W]%24%25(=O)(=[O]6)O[W]6(=O)(=[O]7)(O%13)[O]%15([W](=O)(O%18)(O%21)(O%14)O6)[Si]([O]%17%19[W](O2)(O%16)(=[O][Dy]26([OH2])([O]=%22)([OH2])([O]=4)[O]%25[Fe]47%13%14[O]2[W]2%15%16(O[W]%17%18%19(O[W]%21%22(=O)(O[W]%25%26%27(O[W]%28%29%30(O[W]%31%32(=O)(=[O]4)O[W]4(=O)(=[O]%13)(O%17)[O]%19([W](=O)(O%25)(O%28)(O%18)O4)[Si]4([O]%22%26[W]%13(O[W](=O)([O]67)(O2)([O]%14%164)=[O][Dy]24([O]6[W]7%14%16(O[W]%17%18%19(O[W]%22%25(=O)(O[W]%26%28%33(O[W]%34%35%36(O[W]%37%38%39(=O)=[O][Fe]%40%416([O]2[W]26(=O)(O7)O[W](O%22)([O]%25%28[Si]([O]%36%38)([O]%16%412)[O]2%19[W](=O)(O%26)(O%34)(O%18)O[W]2(=O)(O%37)(=[O]%40)O%17)(=[O][Dy]5%10([OH2])([O]=%35)([OH2])([O]=6)[O]9%39)(=O)O%33)[O]%324)=O)=O)O%14)=O)=O)([OH2])([O]=%29)([O]=%13)[OH2])(O%21)(=O)O%27)[O]%30%31)=O)=O)O%15)=O)=O)(=O)O%20)([O]%23%24)[O]38%12)=O)=O)O%11)=O)(O1)=O.C(CN)N.C(CN)N.C(CN)N.[K+].[Na+].[K+].[Na+].[K+].[Na+].[K+].[Na+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Hexameric polyoxometalates decorated by six 3d-4f heterometallic clusters.
• Authors of publication: Zhang, Zhi-Ming; Li, Yang-Guang; Yao, Shuang; Wang, En-Bo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 24
• Pages of publication: 6475 - 6479
• a: 29.171 ± 0.004 Å
• b: 29.171 ± 0.004 Å
• c: 33.538 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24716 ± 7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 10
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No