Information card for entry 4106152

Structure parameters

• Common name: TAM(o-phen-1,2-HOPO)2, uranyl complex
• Formula: C42 H50 N8 O13 S U
• Calculated formula: C42 H50 N8 O13 S 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: 9.6429 ± 0.0014 Å
• b: 13.33 ± 0.002 Å
• c: 18.927 ± 0.004 Å
• α: 110.241 ± 0.003°
• β: 102.292 ± 0.003°
• γ: 93.606 ± 0.002°
• Cell volume: 2205.4 ± 0.7 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No