Information card for entry 1515594

Structure parameters

• Formula: C130 H187 N2 O17 S U2
• Calculated formula: C130 H187 N2 O17 S U2
• SMILES: [U]1234(S[U]5678(Oc9c(C[N]8(Cc8c(O5)c(cc(c8)C)C58CC%10CC(CC(C5)C%10)C8)Cc5c(O6)c(cc(c5)C)C56CC8CC(CC(C5)C8)C6)cc(cc9C56CC8CC(CC(C5)C8)C6)C)[O](C)CC[O]7C)(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: 22.837 ± 0.0016 Å
• b: 24.081 ± 0.002 Å
• c: 25.25 ± 0.002 Å
• α: 90°
• β: 116.123 ± 0.008°
• γ: 90°
• Cell volume: 12467.5 ± 1.9 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: 0.105
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No