Information card for entry 7118893

Structure parameters

• Formula: C33 H75 Cl N4 Pu Si3
• Calculated formula: C33 H75 Cl N4 Pu Si3
• SMILES: [Pu]123(Cl)[N](CCN1[Si](C(C)C)(C(C)C)C(C)C)(CCN2[Si](C(C)C)(C(C)C)C(C)C)CCN3[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Neptunium and plutonium complexes with a sterically encumbered triamidoamine (TREN) scaffold.
• Authors of publication: Brown, Jessie L.; Gaunt, Andrew J.; King, David M.; Liddle, Stephen T.; Reilly, Sean D.; Scott, Brian L.; Wooles, Ashley J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 31
• Pages of publication: 5428 - 5431
• a: 13.0136 ± 0.001 Å
• b: 15.5458 ± 0.0012 Å
• c: 20.433 ± 0.0015 Å
• α: 90°
• β: 90.546 ± 0.001°
• γ: 90°
• Cell volume: 4133.5 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No