Information card for entry 4312839

Structure parameters

• Formula: C H4 K6.5 Na4.5 O72 P2 W18 Y3
• Calculated formula: C K6.5 Na4.5 O96.5 P2 W18 Y3
• SMILES: C12=[O]3[Y]4567([O]=[W]89%10(=O)O[W]%11%12%13(=O)O[W]%14%15%16(=O)O[W]%17%18(=O)(O%11)O[W]%11(=O)(O9)(O[W]9%19(=O)(O%17)O[W]%17%20(=O)(O%14)O[W]%14%21(=O)(O%15)O[W](=O)(O%12)(O8)([O]%14=P([O]%13%16%18)([O]%10%11)[O]9%17)=[O][Y]89([O]=%21)([O]=[W]%10%11%12(=O)O[W]%13%14%15(=O)O[W]%16%17%18(=O)O[W]%21%22(=O)(O%13)O[W]%13%23(=O)(O[W]%24(=O)(O%17)(O[W](=O)(O%16)(O%11)([O]%12=P([O]%15%18%22)([O]%23%24)[O]%11[W]%12(=O)(O%14)(O%10)O[W]%11(=O)(O%21)(O%13)=[O][Y]3([O]=%20)([O]=%19)([O]=%12)([O]29)[OH2])=[O]8)=[O]5)=[O]6)([O]17)[OH2])=[O]4)[OH2].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Yttrium Polyoxometalates. Synthesis and Characterization of a Carbonate-Encapsulated Sandwich-Type Complex
• Authors of publication: Xikui Fang; Travis M. Anderson; Wade A. Neiwert; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8600 - 8602
• a: 19.3845 ± 0.0013 Å
• b: 22.8445 ± 0.0015 Å
• c: 23.6383 ± 0.0015 Å
• α: 77.886 ± 0.001°
• β: 70.969 ± 0.001°
• γ: 65.504 ± 0.001°
• Cell volume: 8970.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0804
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No