Information card for entry 1543290

Structure parameters

• Formula: C79 H170 K2 O24 S3 Si6 U2
• Calculated formula: C79 H170 K2 O24 S3 Si6 U2
• SMILES: [U]12(S[U](S1)(S2)([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)([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.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: 13.9735 ± 0.0017 Å
• b: 18.272 ± 0.0011 Å
• c: 22.168 ± 0.003 Å
• α: 90°
• β: 94.534 ± 0.012°
• γ: 90°
• Cell volume: 5642.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No