Information card for entry 4103092

Structure parameters

• Common name: U24Py12
• Formula: Na8 O180 P24 U24
• Calculated formula: Na8 O180 P24 U24
• SMILES: [O]12[U]3456(OP7(=O)OP(=O)(O3)O[U]389([O]%10[O]3[U]3%11%12%10([O]%10[U]%13%14%15(=O)([O]%16[O]%13[U]%13%17%16([O]8[O]9%13)(=O)(=O)OP8(O[U]9%13%16([O]%18[U]%19%20%21([O]%22[U]%23%24%25(OP%26(O[U]%27%28%29(=O)([O]%30[O]%27[U]%27%31%32%30(=O)([O]%30[U]%33%34%35(=O)([O]%36[O]%33[U]%33%37%36([O]%28[O]%29%33)(=O)(=O)OP%28(=O)O[U]%29%33([O]%36[U]%381(=O)(O)(OP(=O)(OP(=O)(O%19)O%38)O%21)([O]%29%36)[O]26)(OP(=O)(O%28)O%37)(=O)([O]1[U]26(=O)([O]4[O]52)(OP2(=O)OP(=O)(O[U]45%19(=O)([O]%21[U]%28%29([O]%36[U]%37%38(=O)([O]%39[O]%37[U]%37%40%39(OP(=O)(OP(=O)(O%37)O%11)O%12)(=O)([O]5[O]%19%40)=O)(=O)(OP5(=O)O[U]%11%12%19([O]%37[O]%19[U]%19%39%37(OP(O%15)(OP(=O)(O%19)O%14)=O)(=O)([O]%14[U]%15%19(=O)([O]%37[U]%40%41([O]%11[O]%12%40)(OP(O%31)(OP(O%27)(O%41)=O)=O)(=O)([O]%15%37)=O)([O]%39%14)(OP%11(O[U]%12%14(=O)([O]%24[O]%25%12)(OP(O%19)(=O)O%11)(=O)[O]%13[O]%16%14)=O)=O)=O)(=O)(=O)OP(=O)(O5)O%38)[O]%29%36)(OP(=O)(OP(=O)(O%28)O%34)O%35)(=O)([O]4%21)=O)(=O)O2)O6)(=O)[O]%331)=O)(=O)[O]%32%30)=O)(=O)OP(=O)(O%23)O%26)=O)(=O)(=O)[O]%20%22)(=O)(=O)[O]9%18)(OP(O%17)(O8)=O)(=O)=O)=O)(=O)[O]3%10)(=O)=O)(=O)(=O)O7)(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• Title of publication: Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters
• Authors of publication: Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13395 - 13402
• a: 22.746 ± 0.002 Å
• b: 22.746 ± 0.002 Å
• c: 30.426 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15742 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No