Information card for entry 4118741

Structure parameters

• Formula: C123 H167 N2 O13 S2 Se U2
• Calculated formula: C123 H167 N2 O13 S2.01 Se0.99 U2
• Title of publication: Reactivity of U-E-U (E = S, Se) Toward CO2, CS2, and COS: New Mixed-Carbonate Complexes of the Types U-CO2E-U (E = S, Se), U-CS2E-U (E = O, Se), and U-COSSe-U
• Authors of publication: Oanh P. Lam; Sebastian M. Franke; Frank W. Heinemann; Karsten Meyer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 16877 - 16881
• a: 14.098 ± 0.0017 Å
• b: 15.452 ± 0.002 Å
• c: 28.329 ± 0.002 Å
• α: 85.748 ± 0.009°
• β: 85.341 ± 0.01°
• γ: 70.009 ± 0.009°
• Cell volume: 5773.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No