Information card for entry 1543285

Structure parameters

• Formula: C122 H256 K4 O38 S2 Si8 U2
• Calculated formula: C122 H256 K4 O38 S2 Si8 U2
• SMILES: [U]12(=S)([O]3[K]45([O]([Si]3(OC(C)(C)C)OC(C)(C)C)C(C)(C)C)([O]1[Si]([O]4C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O]2[Si]([O]5C(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.[U]12(=S)([O]3[K]45([O]([Si]3(OC(C)(C)C)OC(C)(C)C)C(C)(C)C)([O]1[Si]([O]4C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O]2[Si]([O]5C(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]123[O]4CC[O]1CC[O]21[K]25[O]3(CC4)CC[O]2CC[O]5CC1.c1(ccccc1)C.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: 16.3304 ± 0.0014 Å
• b: 26.8 ± 0.0019 Å
• c: 18.8582 ± 0.0015 Å
• α: 90°
• β: 91.476 ± 0.009°
• γ: 90°
• Cell volume: 8250.6 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1642
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No