Information card for entry 1543286

Structure parameters

• Formula: C72 H158 K2 N2 O22 S Si4 U
• Calculated formula: C72 H158 K2 N2 O22 S Si4 U
• SMILES: [U](=S)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]([K]12345)[Si]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]2[Si]([O]3C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O]4[Si]([O]5C(C)(C)C)(OC(C)(C)C)OC(C)(C)C.[K]1234567[O]8CC[N]19CC[O]2CC[O]3CC[N]4(CC[O]5CC[O]6CC9)CC[O]7CC8.CCCCCC
• Title of publication: Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands
• Authors of publication: Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5846
• a: 14.61 ± 0.002 Å
• b: 17.221 ± 0.003 Å
• c: 19.8684 ± 0.0019 Å
• α: 84.563 ± 0.01°
• β: 84.218 ± 0.009°
• γ: 83.002 ± 0.012°
• Cell volume: 4919.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No