Information card for entry 4347777

Structure parameters

• Formula: C24 Ce N6 O14
• Calculated formula: C24 Ce N6 O14
• SMILES: [Ce]1234([O]=N(=O)O2)(ON(=[O]1)=O)([O]=N(O3)=O)(ON(=[O]4)=O)([O]=C(N(CCCC)CCCC)CCC)[O]=C(N(CCCC)CCCC)CCC
• Title of publication: Structures of Plutonium(IV) and Uranium(VI) with N,N-Dialkyl Amides from Crystallography, X-ray Absorption Spectra, and Theoretical Calculations.
• Authors of publication: Acher, Eléonor; Hacene Cherkaski, Yanis; Dumas, Thomas; Tamain, Christelle; Guillaumont, Dominique; Boubals, Nathalie; Javierre, Guilhem; Hennig, Christoph; Solari, Pier Lorenzo; Charbonnel, Marie-Christine
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5558 - 5569
• a: 35.3316 ± 0.0015 Å
• b: 10.8597 ± 0.0005 Å
• c: 20.3225 ± 0.0009 Å
• α: 90°
• β: 110.578 ± 0.001°
• γ: 90°
• Cell volume: 7300 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No