Information card for entry 4106273

Structure parameters

• Formula: O168 U32
• Calculated formula: O168 U32
• SMILES: O=[U]12345(=O)O[U]678(O1)(=O)(=O)[O]1[U]9%10%11(=O)(=O)([O]%12[U]%13%14%15(=O)(=O)(O[U]%16%17%18(O%13)(=O)(=O)[O]%13[U]%19%20(=O)(=O)([O]2[O]4%19)(O[U]24%19(=O)(=O)([O]%21[U]%22%23(=O)(=O)(O[U]%24%25%26(O%22)(=O)(=O)[O]%22[U]%27%28%29(=O)(=O)([O]%30[U]%31%32(O[U]%33%34(O%31)(=O)([O]4[O]%19%33)(=O)[O]4[U]%19%31([O]%16[O]%18%19)(=O)([O]4%34)(=O)OO%31)(=O)(=O)([O]%27%30)[O]4[U]%16%18(=O)([O]4%32)(=O)(OO%18)[O]4[U]%18%19%27(=O)(=O)([O]4%16)O[U]4%16%30(=O)(=O)(O%19)[O]%19[U]%31%32%33(=O)([O]%30%19)(=O)[O]%19[U]%30%34(=O)(=O)([O]%31%19)(O[U]%19%31(O%30)(=O)(=O)([O]%30[U]%35(=O)([O]%27[O]%18%35)(O%28)(=O)([O]%19%30)O%29)[O]%18[U]%19%27(=O)([O]%31%18)([O]%25[O]%26%19)(=O)OO%27)[O]%18[U]%19%25(=O)([O]%34%18)(=O)(OO%19)[O]%18[U]%19%26%27(=O)(=O)([O]%25%18)O[U]%18%25(O%27)(=O)(=O)([O]%27[U]%28%29([O]6[O]8%28)(=O)([O]%25%27)(=O)OO%29)[O]6[U]8(=O)(=O)(O%10)([O]6%18)(O%11)[O]6[U]%10%11(=O)(=O)([O]86)([O]6[U]8%18([O]%14[O]8%15)(=O)([O]6%11)(=O)OO%18)O[U]68(O%10)(=O)([O]%10[U]%11(=O)([O]%19[O]%26%11)(=O)([O]6%10)(O%32)O%33)(=O)[O]6[U]%10%11([O]4[O]%16%10)(=O)([O]86)(=O)OO%11)[O]%24%22)([O]2%21)[O]2[U]46([O]3[O]54)(=O)([O]2%23)(=O)OO6)O%20)[O]%17%13)[O]9%12)[O]71
• Title of publication: Rapid Self-Assembly of Uranyl Polyhedra into Crown Clusters
• Authors of publication: Ginger E. Sigmon; Peter C. Burns
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9137 - 9139
• a: 19.343 ± 0.004 Å
• b: 20.8 ± 0.005 Å
• c: 34.866 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14028 ± 5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 2
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.1482
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No