Information card for entry 7056860

Structure parameters

• Formula: C38 H28 Br4 N4 O14 U2
• Calculated formula: C38 H28 Br4 N4 O14 U2
• SMILES: c1cc(cc(c2cc(ccn2)Br)n1)Br.O=[U]12([O]=C(O1)c1ccccc1)(=O)[O]1[O]2[U]21(=O)(=O)[O]=C(O2)c1ccccc1.O=C([O-])C.c1cc(cc(c2cc(ccn2)Br)n1)Br.O=C([O-])C
• 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: 10.521 ± 0.004 Å
• b: 10.766 ± 0.005 Å
• c: 11.35 ± 0.004 Å
• α: 95.865 ± 0.005°
• β: 105.083 ± 0.004°
• γ: 116.297 ± 0.003°
• Cell volume: 1077.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No