Information card for entry 2312365

Structure parameters

• Chemical name: Bis(acetato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dioxidouranium(VI)
• Formula: C14 H14 N2 O6 U
• Calculated formula: C14 H14 N2 O6 U
• Title of publication: Crystal structures of three uranyl-acetate-bipyridine complexes crystallized from hydraulic fracking fluid.
• Authors of publication: Whittington, Abigail A.; Keimowitz, Alison R.; Tanski, Joseph M.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 1
• a: 7.734 ± 0.0008 Å
• b: 19.01 ± 0.002 Å
• c: 10.6154 ± 0.0011 Å
• α: 90°
• β: 96.106 ± 0.002°
• γ: 90°
• Cell volume: 1551.9 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• 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: 0.0193
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes