Information card for entry 1517854

Structure parameters

• Formula: C62 H87 N O7 S U
• Calculated formula: C62 H87 N O7 S U
• SMILES: [U]1234(S)(Oc5c(C[N]4(Cc4c(O1)c(cc(c4)C)C14CC6CC(CC(C1)C6)C4)Cc1c(O2)c(cc(c1)C)C12CC4CC(CC(C1)C4)C2)cc(cc5C12CC4CC(CC(C1)C4)C2)C)[O](C)CC[O]3C.COCCOC
• Title of publication: Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes
• Authors of publication: Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 275
• a: 14.4228 ± 0.0002 Å
• b: 14.8678 ± 0.0005 Å
• c: 15.4212 ± 0.0009 Å
• α: 112.831 ± 0.003°
• β: 96.488 ± 0.004°
• γ: 108.933 ± 0.002°
• Cell volume: 2772.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No