Information card for entry 4106149

Structure parameters

• Common name: TAM(ophen-1,2-HOPO)2, uranly complex
• Formula: C58.7 H83.7 N8 O21.85 S0.15 U
• Calculated formula: C58.692 H60 N8 O21.846 S0.154 U
• Title of publication: Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)
• Authors of publication: Géza Szigethy; Kenneth N. Raymond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 7942 - 7956
• a: 9.7996 ± 0.0014 Å
• b: 17.047 ± 0.002 Å
• c: 19.03 ± 0.003 Å
• α: 102.075 ± 0.002°
• β: 95.478 ± 0.003°
• γ: 91.56 ± 0.003°
• Cell volume: 3090.9 ± 0.8 ų
• Cell temperature: 154 ± 2 K
• Ambient diffraction temperature: 154 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No