Information card for entry 1515595

Structure parameters

• Formula: C130 H187 N2 O17 Se U2
• Calculated formula: C130 H187 N2 O17 Se U2
• SMILES: [Se]([U]1234(Oc5c(C[N]4(Cc4c(O1)c(cc(c4)C)C14CC6CC(CC(C1)C6)C4)Cc1c(O2)c(cc(c1)C)C12CC4CC(CC(C1)C4)C2)cc(cc5C12CC4CC(CC(C1)C4)C2)C)[O](C)CC[O]3C)[U]1234(Oc5c(C[N]4(Cc4c(O1)c(cc(c4)C)C14CC6CC(CC(C1)C6)C4)Cc1c(O2)c(cc(c1)C)C12CC4CC(CC(C1)C4)C2)cc(cc5C12CC4CC(CC(C1)C4)C2)C)[O](C)CC[O]3C.COCCOC.COCCOC.COCCOC.COCCOC
• Title of publication: Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te)
• Authors of publication: Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1538
• a: 22.7926 ± 0.0018 Å
• b: 24.1118 ± 0.0009 Å
• c: 25.319 ± 0.003 Å
• α: 90°
• β: 116.089 ± 0.01°
• γ: 90°
• Cell volume: 12497 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1322
• 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