Information card for entry 1546483

Structure parameters

• Formula: C66 H150 N8 Si6 Te U2
• Calculated formula: C66 H150 N8 Si6 Te U2
• Title of publication: Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange
• Authors of publication: Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 13.8022 ± 0.0003 Å
• b: 16.3751 ± 0.0005 Å
• c: 18.0985 ± 0.0006 Å
• α: 90°
• β: 92.474 ± 0.003°
• γ: 90°
• Cell volume: 4086.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0897
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No