Information card for entry 1546479

Structure parameters

• Formula: C73 H158 N8 Se Si6 U2
• Calculated formula: C73 H158 N8 Se Si6 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: 25.2002 ± 0.0016 Å
• b: 19.5179 ± 0.001 Å
• c: 17.5099 ± 0.0009 Å
• α: 90°
• β: 98.942 ± 0.006°
• γ: 90°
• Cell volume: 8507.7 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No