Information card for entry 1543289

Structure parameters

• Formula: C67 H141 K O22 S Si4 U
• Calculated formula: C67 H141 K O22 S Si4 U
• SMILES: [U](S)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.c1(ccccc1)C
• 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: 13.8962 ± 0.0005 Å
• b: 24.5807 ± 0.0016 Å
• c: 26.1417 ± 0.0014 Å
• α: 90°
• β: 95.317 ± 0.005°
• γ: 90°
• Cell volume: 8891 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No