Information card for entry 7056861

Structure parameters

• Formula: C24 H18 Br4 N4 O10 U2
• Calculated formula: C24 H18 Br4 N4 O10 U2
• SMILES: c1cc(cc(n1)c1cc(ccn1)Br)Br.O=[U]12([O]3[O]2[U]23(=O)(=O)[O]=C(O2)C)([O]=C(O1)C)=O.c1cc(cc(c2cc(ccn2)Br)n1)Br
• 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: 8.172 ± 0.005 Å
• b: 20.318 ± 0.013 Å
• c: 10.369 ± 0.007 Å
• α: 90°
• β: 111.78 ± 0.009°
• γ: 90°
• Cell volume: 1598.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No