Information card for entry 1546480

Structure parameters

• Formula: C74 H166 N8 O2 S Si6 U2
• Calculated formula: C74 H166 N8 O2 S Si6 U2
• SMILES: [U]123(S[U]456N([Si](C(C)C)(C(C)C)C(C)C)CC[N]6(CCN4[Si](C(C)C)(C(C)C)C(C)C)CCN5[Si](C(C)C)(C(C)C)C(C)C)N([Si](C(C)C)(C(C)C)C(C)C)CC[N]2(CCN3[Si](C(C)C)(C(C)C)C(C)C)CCN1[Si](C(C)C)(C(C)C)C(C)C.O1CCCC1.O1CCCC1
• 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: 29.155 ± 0.006 Å
• b: 13.416 ± 0.003 Å
• c: 22.949 ± 0.005 Å
• α: 90°
• β: 105.344 ± 0.004°
• γ: 90°
• Cell volume: 8656 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.1027
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No