Information card for entry 4503502

Structure parameters

• Formula: C8 H14 N4 O10 U
• Calculated formula: C8 H14 N4 O10 U
• SMILES: O=[U]12(=O)([O]=C3CCCN3)([O]=C3CCCN3)([O]=N(=O)O1)[O]=N(=O)O2
• Title of publication: Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion
• Authors of publication: Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2364
• a: 6.099 ± 0.002 Å
• b: 15.42 ± 0.005 Å
• c: 7.976 ± 0.003 Å
• α: 90°
• β: 90.07 ± 0.03°
• γ: 90°
• Cell volume: 750.1 ± 0.4 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No