Information card for entry 4325388

Structure parameters

• Common name: U42
• Formula: K6 Li3 O299 U42
• Calculated formula: K6 Li3 O299 U42
• SMILES: [K+].O=[U]12345(=O)[O]6[U]789([O]%10[U]%11%12%13([O]7%10)(=O)([O]7[U]%10%14%15(=O)(O[U]%16%17%18(=O)([O]%19[O]%16[U]%16%20%21%19(=O)(O[U]%19%22%23([O]%24[O]%19[U]%19%25%24([O]%24[U]%26%27%28([O]%29[O]%28[U]%28%30%29(O[U]%29%31%32(=O)([O]%33[O]%32[U]%32%34%35%33([O]%33[O]%32[U]%32%36%37%33(=O)([O]%33[O]%32[U]%32%38%39%33(=O)(O[U]%33%40%41(=O)([O]%42[U]%43%44%45(=O)([O]%46[O]%44[U]%44%47%48%46([O]%46[O]%44[U]%44%49%50%46(O[U]%46%51%52([O]%53[U]%54%55(O[U]%56%57%58(=O)(O%54)([O]%54[O]%57[U]%57%54(=O)([O]%54[O]%57[U]%57%59%60%54(=O)([O]%54[U]%61%62(=O)([O]%60%54)(O[U]%54%60([O]%17[O]%18%54)(=O)([O]%17[O]%60[U]%18%54%17(O[U]%17%60%63([O]%64[U]%65([O]%66[O]%65[U]%65%66(=O)(O%43)(=O)(O%45)[O]%43[O]%65[U]%45%43([O]%17[O]%60%45)(=O)([O]%36)(=O)O%37)(O%57)(O%59)(=O)(=O)[O]%63%64)(=O)(O%18)=O)(=O)([O]%17[O]%54[U]%18%17([O]%20[O]%21%18)(=O)(=O)(O%34)O%35)=O)(=O)O%62)([O]%17[U]%18(=O)([O]%56[O]%58%18)([O]%61%17)(=O)(O%12)O%13)=O)=O)(O%47)(=O)O%48)=O)([O]%12[U]%13(=O)([O]%17[U]%18%20(O[U]%21%34%35(=O)(O%18)([O]%18[O]%34[U]%34%18(=O)([O]%18[O]%34[U]%34%18(=O)([O]%18[U]%36%37(=O)([O]%34%18)(O[U]%18%34([O]%32[O]%39%18)(=O)([O]%29[O]%31%34)(=O)O%37)([O]%18[U]%29%31(=O)([O]%21[O]%35%29)([O]%36%18)(=O)O[U]%18%21([O]%44[O]%50%18)(=O)([O]%33[O]%40%21)(=O)O%31)=O)(O%26)(O%27)=O)(O4)(=O)O5)=O)([O]%51[O]%52%20)([O]%13%17)(=O)=O)(O8)(O9)([O]%55%12)=O)([O]%46%53)(=O)=O)(=O)(O%49)=O)(=O)=O)(=O)=O)(=O)[O]%41%42)(=O)O%38)=O)=O)(=O)=O)(O%30)=O)([O]%22[O]%23%28)(=O)=O)([O]%19%24)(=O)=O)(=O)(O[U]45([O]%14[O]%154)(=O)([O]1[O]25)(=O)O%25)=O)(=O)(=O)O%16)=O)(O%10)=O)(=O)[O]%117)=O)(=O)(=O)[O]36.[K+].[K+].[Li+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].[K+].[Li+].[Li+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.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: Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra
• Authors of publication: Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5509 - 5516
• a: 26.3747 ± 0.0016 Å
• b: 35.341 ± 0.002 Å
• c: 39.674 ± 0.003 Å
• α: 90°
• β: 102.859 ± 0.001°
• γ: 90°
• Cell volume: 36053 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1206
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No