Information card for entry 7001173

Structure parameters

• Formula: C45.5 H50.5 F3 N10.5 O5 S U
• Calculated formula: C46 H48 F3 N10 O5 S U
• Title of publication: Synthesis and crystal structure of pentavalent uranyl complexes. The remarkable stability of UO2X (X = I, SO3CF3) in non-aqueous solutions
• Authors of publication: Berthet, Jean-Claude; Siffredi, Gérald; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3478 - 3494
• a: 12.5854 ± 0.0012 Å
• b: 14.1686 ± 0.0019 Å
• c: 14.4513 ± 0.0019 Å
• α: 110.201 ± 0.006°
• β: 98.845 ± 0.008°
• γ: 94.538 ± 0.009°
• Cell volume: 2365.2 ± 0.5 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: 0.0511
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No