Information card for entry 4316083

Structure parameters

• Common name: 2-benzylphenyl-bis-Me-3,2-HOPO, Uranyl complex
• Formula: C23 H24 N4 O9 S U
• Calculated formula: C23 H24 N4 O9 S U
• Title of publication: Influence of Linker Geometry on Uranyl Complexation by Rigidly Linked Bis(3-hydroxy-N-methyl-pyridin-2-one)
• Authors of publication: Géza Szigethy; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6755 - 6765
• a: 7.0126 ± 0.0005 Å
• b: 13.3648 ± 0.0009 Å
• c: 27.8747 ± 0.0019 Å
• α: 92.834 ± 0.001°
• β: 96.215 ± 0.002°
• γ: 100.443 ± 0.002°
• Cell volume: 2547.7 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No