Information card for entry 1543292

Structure parameters

• Formula: C79 H170 K2 O24 S4.36 Si6 U2
• Calculated formula: C79 H170 K2 O24 S4.366 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: 14.1455 ± 0.0008 Å
• b: 18.059 ± 0.0013 Å
• c: 22.1126 ± 0.0012 Å
• α: 90°
• β: 92.218 ± 0.005°
• γ: 90°
• Cell volume: 5644.5 ± 0.6 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: 0.0839
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No