Information card for entry 4501487

Structure parameters

• Formula: C20 H34 N4 O10 Pu
• Calculated formula: C20 H34 N4 O10 Pu
• SMILES: C1(CCCN1C1CCCCC1)=[O][Pu]12(ON(=[O]1)=O)(=O)(=O)([O]=C1CCCN1C1CCCCC1)ON(=[O]2)=O
• 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: 7.0236 ± 0.0005 Å
• b: 18.4311 ± 0.0012 Å
• c: 10.5097 ± 0.0007 Å
• α: 90°
• β: 102.255 ± 0.002°
• γ: 90°
• Cell volume: 1329.51 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No