Information card for entry 7117286

Structure parameters

• Formula: C90 H189 N30 Na5 O162 S10 U20 V20
• Calculated formula: C30 N10 Na5 O162 S10 U20 V20
• SMILES: [U]12345(=O)=[O][Na]67([O]=[U]89%10%11(=O)[O]1[V]1%12(=O)[O]2[V]2%13([O]%14[U]%15%16%17(=O)(=[O]6)[O]1[V]1([O]8%12)(=O)[O]%15[U]68%12(=O)(=[O]7)[O]1[V]17(=O)[O]6[U]6%15%18%19(=O)=[O][Na]%20%21([O]=[U]%22%23%24(=O)([O]%10[V]([O]91)([O]76)(=O)[O]%22[V]16(=O)[O]%23[U]79%10(=O)(=[O]%20)[O]1[V]1([O]%156)(=O)[O]%18[U]6%15(=O)(=[O]%21)([O]1[V]1%18(=O)[O]6[U]6%20%21%22(=O)=[O][Na]%23%25([O]=[U]%26%27%28(=O)([O]%29[U]%30%31%32%33(=[O][Na]%34%35([O]=[U]%36%37%38(=O)([O]%32[V]%32%39([O]%31[V]%31%40([O]%41[U]%42%43(=O)(=[O]%34)([O]%34[U]%44%45%46(=[O]%25)(=O)[O]%25[V]%29(=O)([O]%26[V]%26([O]%45[V]%29([O]%45[U](=O)(=[O]%23)([O]%10[V]%45([O]71)([O]%186)=O)([O]%44%29)(OS(=O)(=[O]%24)O9)OS(=O)(=[O]%42)O%46)(=O)[O]%20%26)(=O)[O]%21%27)[O]%30[V]%41%34%25=O)[O]%31[U]16(=O)(=[O]%35)([O]%32%40)[O]7[V]9([O]%36%39)(=O)[O]%37[U]%10%18%20%21([O]%23[U]%24%25(=O)(=[O][Na]%26([O]=[U]%27%29%30(=O)([O]%31[V]%23(=O)([O]%24[V]%14(=O)([O]%16%25)[O]2%27)[O]%20[V]2%31([O]%14[U](=O)(=[O]%26)([O]1[V]7%14([O]9%18)=O)([O]%302)(OS(=O)(=[O]6)O%43)OS(=O)(=[O]%29)=[O]5)=O)[O]3%13)([OH2])([O]=%10)[OH2])(OS(=O)(=[O]%21)O%38)OS(=[O]%17)(=O)O8)=O)=O)=O)OS(=O)(=[O]%28)O%33)([OH2])[OH2])=O)OS(=[O]%15)(=O)O%22)([OH2])[OH2])OS(=O)(=[O]%19)O%12)OS(=O)(=[O]4)O%11)([OH2])[OH2])=O)([OH2])[OH2].n1(C)cc[n+](c1)CC.O.n1(C)cc[n+](c1)CC.[n+]1(ccn(c1)C)CC.n1(C)cc[n+](c1)CC.O.[n+]1(ccn(C)c1)CC
• Title of publication: Hybrid uranyl-vanadium nano-wheels
• Authors of publication: G. A. Senchyk; E. M. Wylie; S. Prizio; J. E. S. Szymanowski; G. E. Sigmon; P. C. Burns
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10134
• a: 32.023 ± 0.003 Å
• b: 27.232 ± 0.003 Å
• c: 28.774 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25092 ± 4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No