Information card for entry 4304124

Structure parameters

• Formula: C14 H6 N2 O6 U
• Calculated formula: C14 H6 N2 O6 U
• Title of publication: Affinity of the Highly Preorganized Ligand PDA (1,10-Phenanthroline-2,9-dicarboxylic acid) for Large Metal Ions of Higher Charge. A Crystallographic and Thermodynamic Study of PDA Complexes of Thorium(IV) and the Uranyl(VI) ion
• Authors of publication: Nolan E. Dean; Robert D. Hancock; Christopher L. Cahill; Mark Frisch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2000 - 2010
• a: 11.1318 ± 0.0007 Å
• b: 6.6926 ± 0.0004 Å
• c: 17.3114 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1289.71 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No