Information card for entry 1543288

Structure parameters

• Formula: C79 H170 K2 O24 S4.66 Si6 U2
• Calculated formula: C79 H170 K2 O24 S4.651 Si6 U2
• 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: 28.669 ± 0.003 Å
• b: 13.985 ± 0.002 Å
• c: 28.721 ± 0.004 Å
• α: 90°
• β: 97.583 ± 0.009°
• γ: 90°
• Cell volume: 11415 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No