Information card for entry 4118739

Structure parameters

• Formula: C133 H192 N2 O20 S U2
• Calculated formula: C133 H192 N2 O20 S 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: 22.5934 ± 0.0018 Å
• b: 24.6867 ± 0.0019 Å
• c: 25.301 ± 0.002 Å
• α: 90°
• β: 116.371 ± 0.001°
• γ: 90°
• Cell volume: 12643.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No