Information card for entry 4336530

Structure parameters

• Formula: C19 H11 N3 O8 U
• Calculated formula: C19 H11 N3 O8 U
• SMILES: [U]123(=O)(=O)(OC(=O)c4cc(O)cc(C(=O)O1)[n]34)[n]1cccc3c1c1c(ccc[n]21)cc3.O
• Title of publication: Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids
• Authors of publication: Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12394 - 12402
• a: 7.5465 ± 0.001 Å
• b: 19.876 ± 0.003 Å
• c: 12.935 ± 0.0017 Å
• α: 90°
• β: 100.948 ± 0.002°
• γ: 90°
• Cell volume: 1904.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No