Information card for entry 1546481

Structure parameters

• Formula: C39 H93 N7 O P Si3 U
• Calculated formula: C39 H93 N7 O P Si3 U
• SMILES: [U]123([O]=P(N(C)C)(N(C)C)N(C)C)N([Si](C(C)C)(C(C)C)C(C)C)CC[N]1(CCN3[Si](C(C)C)(C(C)C)C(C)C)CCN2[Si](C(C)C)(C(C)C)C(C)C
• 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: 13.4366 ± 0.0005 Å
• b: 14.7631 ± 0.0005 Å
• c: 25.3924 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5037 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No