Information card for entry 7106459

Structure parameters

• Formula: C60 H101.5 K4 N10 O29.5 U2
• Calculated formula: C60 H98 K4 N10 O31.5 U2
• Title of publication: Uranyl sequestration: synthesis and structural characterization of uranyl complexes with a tetradentate methylterephthalamide ligand
• Authors of publication: Chengbao Ni; David K. Shuh; Kenneth N. Raymond
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6392
• a: 9.9029 ± 0.0011 Å
• b: 18.94 ± 0.002 Å
• c: 22.97 ± 0.003 Å
• α: 105.053 ± 0.002°
• β: 94.779 ± 0.002°
• γ: 102.429 ± 0.002°
• Cell volume: 4018.4 ± 0.8 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No