Information card for entry 7108378

Structure parameters

• Formula: C26 H51 N11 O21 Pu
• Calculated formula: C26 H51 N11 O21 Pu
• SMILES: [Pu]123456([O]=C(N(C)C)C[O]1CC(N(C)C)=[O]2)([O]=C(N(C)C)C[O]3CC(N(C)C)=[O]4)[O]=C(N(C)C)C[O]5CC(N(C)C)=[O]6.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N#CC
• 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: 10.298 ± 0.0016 Å
• b: 37.077 ± 0.006 Å
• c: 10.7859 ± 0.0017 Å
• α: 90°
• β: 95.598 ± 0.002°
• γ: 90°
• Cell volume: 4098.6 ± 1.1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0892
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 4.433
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No