Information card for entry 2312366

Structure parameters

• Chemical name: <i>catena</i>-Poly[bis(2,3'-bipyridinium) [di-μ-acetato-μ~3~-hydroxido-μ-hydroxido-di-μ~3~-oxido-hexaoxidotriuranium(VI)]–2,3'-bipyridine–water (1/1/1)]
• Formula: C34 H36 N6 O15 U3
• Calculated formula: C34 H36 N6 O15 U3
• 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: 13.809 ± 0.0013 Å
• b: 12.6324 ± 0.0012 Å
• c: 23.699 ± 0.002 Å
• α: 90°
• β: 103.412 ± 0.001°
• γ: 90°
• Cell volume: 4021.3 ± 0.6 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: 0.0659
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes