Information card for entry 7108379

Structure parameters

• Formula: C26 H54 N10 O22 Pu
• Calculated formula: C24 H48 N10 O21 Pu
• SMILES: C1(C[O]2CC(N(C)C)=[O][Pu]34562([O]=C(N(C)C)C[O]6CC(N(C)C)=[O]5)([O]=1)[O]=C(C[O]3CC(N(C)C)=[O]4)N(C)C)N(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Plutonium(IV) complexation by diglycolamide ligands‒coordination chemistry insight into TODGA-based actinide separations
• Authors of publication: Andrew Gaunt; Andrew J. Gaunt; Sean Reilly; Brian Scott; Giuseppe Modolo; Mark Sarsfield; Willem Verboom; Mudassir Iqbal
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9732
• a: 21.121 ± 0.005 Å
• b: 12.83 ± 0.003 Å
• c: 19.842 ± 0.005 Å
• α: 90°
• β: 104.811 ± 0.003°
• γ: 90°
• Cell volume: 5198 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No