Information card for entry 7003604

Structure parameters

• Formula: C14 H114 As3 Ce3 Fe3 K4.5 N8 Na8.5 O156 W30
• Calculated formula: C14 H30 As3 Ce3 Fe3 K4.5 N8 Na8.5 O137.9 W30
• SMILES: [W]1234([O]5[Ce]6789([O]%10[W]%11%12(=[O][Ce]%13%14%15%16([O]%17[W]%18%19%20(O[W]%21%22%23(=[O][Fe]5%10([O]3%12[As]35[O]%10%22[W]%12%22(=O)(O%21)O[W](O%18)(O[W]%18%21(O[W]%24(O%11)([O]5%18[W](O2)(=O)(O%24)(O%21)O[W]%10(O%23)(O4)(O%12)=O)(=O)=[O]%15)(=O)O%22)([O]%19=3)(=O)=[O]%16)([O]=%20)[O]7[W]234(=O)O[W]57(=O)(O[W]%10%11%12(O[W]%15%16(O[W]%18%19%20(=O)O[W]%21(=[O][Fe]%22%23%24([O]%25[W]%26%27(=O)(O%18)O[W]%18(O[W]%28([O]%10([W](O%28)(=O)(O%20)(O%12)O%27)[As]([O]%15%19%21)([O]%24%26%18)=[O]47)(=O)(=[O]8)O%11)(=O)([O]%23[Ce]478%25([O]=[W]%10%11%12(O[W]%15%18%19(=O)[O]%20%21[W]%23(=[O]7)(O[W]7%20(=O)(O[W]%20%24%25(O[W]%26%27([O]%28%29[W]%30(=[O][Fe]%31%32%17([O]%20([W](=O)(O%24)([O]%13%32)(=[O]8)O%23)[As]%21%29=[O]%10[W](=[O]%31)([O]%224)(O%11)(O%30)=O)[O]%14%25)(=O)(O[W]%28(O%15)(O%26)(=O)O%12)O%27)(O7)=O)=O)O%18)(=O)O%19)=O)([OH2])[OH2])=[O]9)[O]=3)(O2)(O%16)=O)(=O)O5)=O)=[O]6)=O)=O)([OH2])[OH2])(O1)=O)([OH2])[OH2])=O.[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[N+]12(CN3CN(C2)CN(C1)C3)C.[N+]12(CN3CN(C2)CN(C1)C3)C.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A new polyoxometalate-based 3d‒4f heterometallic aggregate: a model for the design and synthesis of new heterometallic clusters
• Authors of publication: Chen, Weilin; Li, Yangguang; Wang, Yonghui; Wang, Enbo; Zhang, Zhiming
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 865 - 867
• a: 19.9015 ± 0.0015 Å
• b: 20.183 ± 0.0015 Å
• c: 22.7851 ± 0.0017 Å
• α: 95.777 ± 0.001°
• β: 111.602 ± 0.001°
• γ: 107.685 ± 0.001°
• Cell volume: 7870.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No