Information card for entry 7056855

Structure parameters

• Formula: C34 H24 Cl2 N4 O10 U2
• Calculated formula: C34 H24 Cl2 N4 O10 U2
• SMILES: c1[n](c(c2ccccn2)ccc1)[U]12(=O)(=O)([O]3[O]1[U]13(=O)(=O)[O]=C(O1)c1cc(ccc1)Cl)OC(=[O]2)c1cc(ccc1)Cl.c1cccc(c2ccccn2)n1
• 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: 8.3678 ± 0.0018 Å
• b: 9.0091 ± 0.0019 Å
• c: 12.351 ± 0.003 Å
• α: 108.014 ± 0.004°
• β: 90.369 ± 0.002°
• γ: 107.51 ± 0.003°
• Cell volume: 839.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No