Information card for entry 4503515

Structure parameters

• Formula: C18 H34 N4 O10 U
• Calculated formula: C18 H34 N4 O10 U
• SMILES: [U]12(=O)(=O)([O]=C3CCCN3[C@@H](C(C)C)C)([O]=C3CCCN3[C@H](C(C)C)C)([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: 7.001 ± 0.002 Å
• b: 9.841 ± 0.003 Å
• c: 10.152 ± 0.003 Å
• α: 109.64 ± 0.02°
• β: 102.15 ± 0.02°
• γ: 98.93 ± 0.03°
• Cell volume: 624.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No