Information card for entry 2212306

Structure parameters

• Chemical name: Dioxobis(pentane-2,4-dionato)(dimethylformamide)uranium(VI)
• Formula: C13 H21 N O7 U
• Calculated formula: C13 H21 N O7 U
• SMILES: [U]12(OC(=CC(=[O]2)C)C)(=O)([O]=CN(C)C)(OC(=CC(=[O]1)C)C)=O
• Title of publication: (Dimethylformamide)dioxobis(pentane-2,4-dionato)uranium(VI)
• Authors of publication: Huuskonen, Juhani; Raatikainen, Kari; Rissanen, Kari
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m413 - m414
• a: 8.56 ± 0.0001 Å
• b: 12.8018 ± 0.0003 Å
• c: 15.551 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1704.13 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9818
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No