Information card for entry 7025954

Structure parameters

• Common name: U30
• Formula: Li Mg4 O239 U30
• Calculated formula: Li Mg4 O239 U30
• SMILES: O=[U]12345(O[U]678([O]9[O]8[U]8%10%119(O[U]9%12%13(=O)([O]%14[U]%15%16%17(=O)(=O)([O]%18[U]%19%20%21(=O)(O[U]%22%23%24([O]%25[U]%26%27%28(O[U]%29%30(=O)([O]%31[U]%32(=O)([O]1[O]4%32)(=O)([O]%15)([O]%16)[O]%29%31)([O]1[U]4%15([O]2[O]54)(=O)(O=[U]245([O]%16[O]2[U]2%29%31%16(=O)([O]%16[U]%32%33(=O)([O]6[O]7%32)(=O)([O]6[U]7%32%34(=O)([O]%35[U]%36%37%38(=O)(=O)(O=[U]%39%40%41(=O)([O]%42[O]%39[U]%39%43%42(=O)([O]%42[U]%44%45(O=[U]%46%47(=O)([O]%19[O]%21%46)([O]9[O]%13%47)([O]%44)=O)([O]9[O]%45[U]%13%19%219(=O)([O]9[U]%44%45(=O)([O]%22[O]%23%44)(=O)([O]%22[U]%23%44%46([O]%47[U]%48%49(=O)([O]%27[O]%28%48)(=O)([O]%27[O]%49[U]%28%48%27(=O)([O]4[O]5%28)(=O)[O]4[U]5%27(=O)([O]%484)(=O)(O[U]4(=O)([O]%29[O]%314)(=O)([O]%36)([O]%37)[O]5)O=[U]45(=O)(=O)([O]%23[O]%444)(O=[U]4(=O)([O]%19[O]%214)(=O)(O%40)([O]%41)[O]5)[O]%27)[O]%46%47)(=O)(=O)[O]%45%22)[O]%139)=O)(=O)(=O)[O]%43%42)([O]4[U]59(=O)([O]%10[O]%115)(=O)([O]7[O]%349)[O]%394)=O)(=O)[O]%38)[O]%32%35)(=O)[O]%336)[O]2%16)=O)([O]%15)(=O)=O)([O]%301)=O)(O%26)=O)(=O)(=O)[O]%24%25)([O]%20)(=O)=O)([O]%17%18)=O)[O]%12%14)(O8)=O)(=O)=O)(O3)(=O)=[O]1)=[O][Li]1([OH2])([OH2])([OH2])[OH2].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].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: Uranyl peroxide closed clusters containing topological squares.
• Authors of publication: Unruh, Daniel K.; Burtner, Alicia; Pressprich, Laura; Sigmon, Ginger E.; Burns, Peter C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5807 - 5813
• a: 22.308 ± 0.002 Å
• b: 22.308 ± 0.002 Å
• c: 28.918 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14391 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 115
• Hermann-Mauguin space group symbol: P -4 m 2
• Hall space group symbol: P -4 -2
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No