Information card for entry 4503504

Structure parameters

• Formula: C14 H26 N4 O10 U
• Calculated formula: C14 H26 N4 O10 U
• SMILES: [U]12(=O)(=O)([O]=C5N(CCC5)CCC)([O]=C5N(CCC5)CCC)(ON(=[O]1)=O)ON(=[O]2)=O
• 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: 7.089 ± 0.002 Å
• b: 18.117 ± 0.005 Å
• c: 8.849 ± 0.002 Å
• α: 90°
• β: 101.95 ± 0.03°
• γ: 90°
• Cell volume: 1111.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No