Information card for entry 1515596

Structure parameters

• Formula: C132 H192 N2 Na2 O18 S2 U2
• Calculated formula: C132 H192 N2 Na2 O18 S2 U2
• SMILES: [U]1234(S[U]567(S1)Oc1c(C[N]5(Cc5c(O6)c(cc(c5)C)C56CC8CC(CC(C8)C6)C5)Cc5c(O7)c(cc(c5)C)C56CC7CC(CC(C5)C7)C6)cc(cc1C15CC6CC(CC(C1)C6)C5)C)Oc1c(C[N]2(Cc2c(O3)c(cc(c2)C)C23CC5CC(CC(C5)C3)C2)Cc2c(O4)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)cc(cc1C12CC3CC(CC(C1)C3)C2)C.[Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.[Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• 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: 28.397 ± 0.003 Å
• b: 17.161 ± 0.0019 Å
• c: 55.426 ± 0.011 Å
• α: 90°
• β: 103.778 ± 0.011°
• γ: 90°
• Cell volume: 26233 ± 7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.481
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No