Information card for entry 4511888

Structure parameters

• Formula: Ce2 H57 K10 Na5 O152 Se4 W35
• Calculated formula: Ce2 K9 Na4 O134 Se4 W35
• SMILES: [W]1234(O[W]567(O[W]89%10(=O)O[W]%11%12%13%14=[O][Ce]%15%16%17%18%19([O]=[W]%20%21%22(O[W]%23%24(O[W]%25%26%27(O[W]%28(O[W]%29%30(O%23)(O[W]%23%31(O[W](O8)([O]%10=[Se]([O]%20%23[W](O%11)(O9)(O%31)(O%21)=O)[O]%24%30)(O%29)(=O)O4)(=O)O%22)=O)(O[W]48(O[W]9%10(O%26)(O[W](O6)([O]49[Se](=[O]%27%28)[O]37)(=[O][Ce]346([O]=[W]79%11(O[W]%20%21%22(O[W]%23%24(O[W]%26(O[W]%27%28%29(O[W]%30(O[W]%31%32%33([O]%34[W](O[W]%35%36([O]=[Se]%34[O]%34%29[W]%29%37(O%27)(O[W](O%25)(O[W](O[W](O[W]%34(O%29)(=O)(O%28)O%33)(O%31)(=O)O%36)(O%37)(=O)O%35)(=[O]4)(=[O]%15)O%10)=O)(=O)=[O]%18)(O%32)(O%30)(=[O]%17)=O)=O)(O%26)=O)=O)(O[W]4%10(O[W]%15%17(O[W]%18(O[W]%25%26(O[W]%27(=[O]3)([O]%26([W](O%15)(O%25)(O%21)(=O)O%27)=[Se]([O]%11%22%23)[O]%10%17%18)(O9)=O)(=O)O%14)(O%13)(O4)=O)(O%20)=O)(=O)O%24)(=[O]%16)=[O]6)(O7)=O)=O)=O)([O]=5)([O]=%12)([OH2])[OH2])(=O)O8)=O)(O2)=O)(O1)=O)=O)(=O)=[O]%19)=O)([OH2])[OH2])=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O
• Title of publication: Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates
• Authors of publication: Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5099
• a: 18.806 ± 0.003 Å
• b: 21.967 ± 0.003 Å
• c: 24.552 ± 0.003 Å
• α: 93.628 ± 0.002°
• β: 111.811 ± 0.002°
• γ: 113.559 ± 0.002°
• Cell volume: 8360 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No