Information card for entry 4334082

Structure parameters

• Formula: C14 H22 N2 Na2 O18 U
• Calculated formula: C14 H6 N2 Na2 O18 U
• SMILES: C1(=O)c2cccc3[n]2[U]24(=O)(O1)([n]1c(C(=O)O2)cccc1C(=O)O4)(=O)OC3=O.[Na+].O.O.O.[Na+].O.O.O.O.O
• Title of publication: Complexation of U(VI) with Dipicolinic Acid: Thermodynamics and Coordination Modes
• Authors of publication: Chao Xu; Guoxin Tian; Simon J. Teat; Linfeng Rao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2750 - 2756
• a: 15.397 ± 0.008 Å
• b: 7.036 ± 0.004 Å
• c: 13.178 ± 0.011 Å
• α: 90°
• β: 124.316 ± 0.005°
• γ: 90°
• Cell volume: 1179.1 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchtrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No