Information card for entry 7025953

Structure parameters

• Common name: U28a
• Formula: Na14 O200 S U28
• Calculated formula: Na14 O200 S U28
• SMILES: [U]123456([O]7[U]89%10%11(=[O][Na]%12%13%14%15([O]=4)[O]=[U]4%16%17%18(O[U]%19%20%21%22(=[O][Na]%23%24%25[O]%26[U]%27%28%29%30%31([O]%32[U]%33%34(=O)(O[U]%35%36%37%38([O]%39[U]%40%41%42%43(=[O][Na]%44%45%46([O]=[U]%47%48%49(O[U]%50%51%52%53([O]%54[U]%55%56%57%58(O[U]%59%60%61%62(O%55)(=O)[O]%55[U]%63%64(O%40)(O%42)([O]%59%55)([O]%40[U]%42%55%59([O]%65[Na]%66([O]=%60)([O]%60[U]%67%68%69%70(=O)([O]%61[O]%62%67)[O]%61[U]%62%67%71(=O)([O]%72[U]%73%74%75%76([O]%77%78[Na]%79%80%81%82%83[O]%84[U]%85%86([O]%87[U]%88%89([O]%23%79)([O]%21[O]%22%88)(=O)(O[U]%21%22%23%79([O]%80[Na]%80%88%90[O]=[U]%91%92%93(O[U]%94%95%96(O%91)([O]%56[O]%58%95)([O]%56[U]%58(O8)([O]%50[O]%52%58)(=[O][Na]([O]=%51)([O]=%57)([O]=%94)([O]%13%45)([OH2]%46)[OH2]%15)(=O)(O%10)[O]%96%56)=O)([O]8[U]%10(O2)(O3)([O]%928)([O]%21[O]%22%10)(=O)=[O]%88)(=O)[O]2[U]38([O]%80[Na]%10%60%78([O]%62[Na]%26%65%77%84([O]%82%10S(=[O]%25)(=[O]%90)O%66)[O]%30%42)[O]%81[U]%10%13([O]%23[O]%79%10)([O]3[O]8%13)(=O)(O%75)O%76)(O%68)(=O)([O]%932)O%69)([O]%83%89)=O)[O]%86%87)([O]%27[O]%29%85)(O%73)(=O)O%74)(=O)[O]%71%72)([O]%55[O]%59%67)[O]%70%61)[O]=%63)([O]%64%40)(=O)O%31)=O)(=O)[O]%53%54)(O%47)=O)([O]%41[O]%43%49)(=O)[O]2[U]38(O[U]%10%13([O]%16[O]%17%13)([O]9[O]%11%10)(=[O]%12)(O8)=O)([O]%35[O]%383)(=[O]%44)([O]%482)=O)([O]=%37)[OH2]%14)([O]%36%39)=O)(O%33)=O)([O]%19[O]%20%34)(=[O]%24)[O]%28%32)=O)(O4)=O)([O]1[O]6%18)=O)(=O)[O]57)=O.[Na]12([OH2][Na]([OH2]1)([OH2])([OH2]2)[OH2])([OH2])([OH2])[OH2].[Na]12([OH2][Na]([OH2])([OH2])([OH2])([OH2])[OH2])([OH2][Na]([OH2])([OH2])([OH2]1)([OH2])([OH2]2)[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
• 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: 18.593 ± 0.003 Å
• b: 18.648 ± 0.003 Å
• c: 36.533 ± 0.005 Å
• α: 75.82 ± 0.004°
• β: 89.25 ± 0.004°
• γ: 62.279 ± 0.004°
• Cell volume: 10796 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1732
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.648
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No