Information card for entry 4501488

Structure parameters

• Formula: C18 H34 N4 O10 Pu
• Calculated formula: C18 H30 N4 O10 Pu
• SMILES: [Pu]12(=O)(=O)([O]=C3N(CCC3)CC(C)(C)C)([O]=C3N(CCC3)CC(C)(C)C)([O]=N(=O)O1)[O]=N(=O)O2
• Title of publication: Molecular and Crystal Structures of Plutonyl(VI) Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Cocrystallization Potentiality of UVIand PuVI
• Authors of publication: Kim, Seong-Yun; Takao, Koichiro; Haga, Yoshinori; Yamamoto, Etsuji; Kawata, Yoshihisa; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2033
• a: 9.8161 ± 0.0003 Å
• b: 10.3389 ± 0.0003 Å
• c: 14.5174 ± 0.0004 Å
• α: 100.204 ± 0.001°
• β: 98.402 ± 0.001°
• γ: 112.979 ± 0.001°
• Cell volume: 1296.74 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No