Information card for entry 2210020

Structure parameters

• Chemical name: Dioxobis(pentane-2,4-dionato)(tetrahydrofuran)uranium(VI)
• Formula: C14 H22 O7 U
• Calculated formula: C14 H22 O7 U
• SMILES: CC1=CC(C)=[O][U]2(=O)(=O)(O1)(OC(=CC(C)=[O]2)C)[O]1CCCC1
• Title of publication: Dioxobis(pentane-2,4-dionato)(tetrahydrofuran)uranium(VI)
• Authors of publication: Tahir, Asif.A.; Hamid, Mazhar; Mazhar, Muhammad; Zeller, Matthias; Hunter, Allen D
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1780 - m1781
• a: 13.2988 ± 0.0008 Å
• b: 8.0155 ± 0.0005 Å
• c: 16.0928 ± 0.0009 Å
• α: 90°
• β: 102.465 ± 0.001°
• γ: 90°
• Cell volume: 1675 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes