Information card for entry 4109450

Structure parameters

• Common name: Ce12HOPO
• Formula: C20 H23 Ce N4 O11.5
• Calculated formula: C20 H20 Ce N4 O11.5
• SMILES: [Ce]1234([O]=n5c(O1)cccc5)([O]=n1c(O2)cccc1)([O]=n1c(O3)cccc1)[O]=n1c(O4)cccc1.O.O.O.O
• Title of publication: Characterization of a Mixed Salt of 1-Hydroxypyridin-2-one Pu(IV) Complexes1
• Authors of publication: Anne E. V. Gorden; Jide Xu; Géza Szigethy; Allen Oliver; David K. Shuh; Kenneth N. Raymond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6674 - 6675
• a: 8.6756 ± 0.0008 Å
• b: 15.8718 ± 0.0014 Å
• c: 18.6435 ± 0.0016 Å
• α: 72.523 ± 0.001°
• β: 82.943 ± 0.002°
• γ: 85.424 ± 0.002°
• Cell volume: 2427.6 ± 0.4 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No