Information card for entry 4514181

Structure parameters

• Chemical name: Bis-AO
• Formula: C1.74 H2.33 Cl0.1 N0.46 O0.36
• Calculated formula: C1.74359 H2.33272 Cl0.102564 N0.461538 O0.358974
• Title of publication: Successful Coupling of a Bis-Amidoxime Uranophile with a Hydrophilic Backbone for Selective Uranium Sequestration.
• Authors of publication: Piechowicz, Marek; Abney, Carter W.; Thacker, Nathan C.; Gilhula, James C.; Wang, Youfu; Veroneau, Samuel S.; Hu, Aiguo; Lin, Wenbin
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 33
• Pages of publication: 27894 - 27904
• a: 11.5039 ± 0.0005 Å
• b: 13.4991 ± 0.0006 Å
• c: 13.6851 ± 0.0006 Å
• α: 106.885 ± 0.001°
• β: 108.723 ± 0.001°
• γ: 94.03 ± 0.001°
• Cell volume: 1894.35 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0654
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.43128 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No