Information card for entry 4118743

Structure parameters

• Formula: C123 H167 N2 O14 S Se U2
• Calculated formula: C123 H167 N2 O14 S Se 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: 12.851 ± 0.002 Å
• b: 18.369 ± 0.003 Å
• c: 24.729 ± 0.004 Å
• α: 103.379 ± 0.003°
• β: 100.659 ± 0.003°
• γ: 100.116 ± 0.003°
• Cell volume: 5433.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1136
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.692
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No