Information card for entry 7056858

Structure parameters

• Formula: C36 H30 N4 O10 U2
• Calculated formula: C36 H30 N4 O10 U2
• SMILES: c1cccc2c3cccc[n]3[U]34([O]=C(c5ccc(C)cc5)O3)([n]12)(=O)(=O)[O]1[O]4[U]231(=O)(OC(=[O]3)c1ccc(C)cc1)([n]1ccccc1c1cccc[n]21)=O
• Title of publication: Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands
• Authors of publication: Ridenour, J. August; Cahill, Christopher L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 1816
• a: 10.209 ± 0.004 Å
• b: 10.899 ± 0.005 Å
• c: 16.989 ± 0.005 Å
• α: 107.023 ± 0.003°
• β: 101.547 ± 0.005°
• γ: 97.572 ± 0.004°
• Cell volume: 1734 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0824
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No