Information card for entry 1564664

Structure parameters

• Formula: C36 H52 N8 O4 Pu
• Calculated formula: C36 H52 N8 O4 Pu
• SMILES: c1cc2[n]([Pu]345(ON2C(C)(C)C)([n]2ccccc2N(C(C)(C)C)O3)([n]2ccccc2N(O4)C(C)(C)C)[n]2ccccc2N(O5)C(C)(C)C)cc1
• Title of publication: Complexation and redox chemistry of neptunium, plutonium and americium with a hydroxylaminato ligand
• Authors of publication: Su, Jing; Cheisson, Thibault; McSkimming, Alex; Goodwin, Conrad A. P.; DiMucci, Ida M.; Albrecht-Schönzart, Thomas; Scott, Brian L.; Batista, Enrique R.; Gaunt, Andrew J.; Kozimor, Stosh A.; Yang, Ping; Schelter, Eric J.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 17.55 ± 0.004 Å
• b: 10.078 ± 0.002 Å
• c: 21.29 ± 0.005 Å
• α: 90°
• β: 98.496 ± 0.016°
• γ: 90°
• Cell volume: 3724.2 ± 1.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No