Information card for entry 4103093

Structure parameters

• Common name: U26Py6
• Formula: K9 O162 P12 U26
• Calculated formula: K9 O162 P12 U26
• SMILES: [K+].[K+].O=[U]12345(=O)[O]6[U]789(=O)([O]%10[U]%11%12%13(=O)([O]%14[O]%11[U]%11%15%16%14([O]%14[U]%17%18(=O)([O]1[O]3%17)([O]%15%14)(=O)OP1(=O)O[U]3%14%15(OP(=O)(O1)O%18)([O]1[U]%17%18%19([O]%20[O]%18[U]%18%21%22%20(=O)([O]%20[U]%23%24%25([O]%26[U]%27%28%29(=O)(OP%30(OP(O[U]%31%32%33([O]%34[U]%35%36(=O)(=O)([O]%37[U]%38%39(=O)(=O)([O]%35%37)([O]%35[O]%39[U]%37%39%40%35(=O)(=O)[O]%35[O]%37[U]%37%41%35(=O)([O]%31[O]%33%37)([O]%31[O]%41[U]%33%35%31(=O)(OP(O%25)(OP(O%23)(=O)O%35)=O)([O]%23[O]%33[U]%25%31%33%23(=O)([O]%23[O]%25[U]%25%35%23(=O)(=O)([O]%39[O]%40%35)[O]%23[O]%25[U]%25%35%23(=O)(OP(=O)(O9)OP(=O)(O7)O%35)([O]7[O]%25[U]9%23%257(=O)([O]7[U]%35%37(=O)(=O)([O]97)([O]7[U]9%39(=O)(=O)([O]%40[U]%41%42(=O)(=O)([O]%43[U]%44%45(OP(=O)(O4)OP(=O)(O5)O%44)(=O)(=O)([O]%23[O]%25%45)[O]%42%43)([O]3[O]%15%41)[O]9%40)([O]%21[O]%22%39)[O]%357)[O]%31[O]%33%37)=O)=O)=O)=O)=O)[O]%12[O]%13%38)([O]3[O]%36[U]453([O]%11[O]%164)(=O)(=O)OP3(OP(=O)(O5)O[U]45([O]%17[O]%194)(=O)([O]%27[O]%285)(=O)O3)=O)[O]%32%34)(=O)(=O)O%30)(O%29)=O)=O)(=O)[O]%24%26)(=O)([O]%18%20)=O)=O)(=O)(=O)[O]%141)(=O)=O)(=O)=O)(=O)[O]8%10)([O]26)=O.[K+].[K+].[K+].O.[K+].[K+].[K+].[K+].O
• 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: 32.035 ± 0.002 Å
• b: 18.9376 ± 0.0013 Å
• c: 37.919 ± 0.003 Å
• α: 90°
• β: 106.728 ± 0.002°
• γ: 90°
• Cell volume: 22031 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No