Information card for entry 7103743

Structure parameters

• Formula: C22 H16 F6 N4 O8 S2 U
• Calculated formula: C22 H16 F6 N4 O8 S2 U
• SMILES: [U]([n]1c(c2ccccn2)cccc1)([n]1c(c2ccccn2)cccc1)(=O)(=O)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Title of publication: A novel coordination geometry for the uranyl ion. Rhombohedral uranium environment in [UO2(OTf)2(bpy)2] and [UO2(phen)3][OTf]2
• Authors of publication: Jean-Claude Berthet; Michel Ephritikhine; Martine Nierlich
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 6.029 ± 0.0012 Å
• b: 10.031 ± 0.002 Å
• c: 11.462 ± 0.002 Å
• α: 102.13 ± 0.03°
• β: 92.66 ± 0.03°
• γ: 102.87 ± 0.03°
• Cell volume: 657.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0248
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No