Information card for entry 4342818

Structure parameters

• Formula: C28 H30 N4 O10 U2
• Calculated formula: C28 H30 N4 O10 U2
• SMILES: [U]123(=O)([O]4[U]56(OC(=[O]5)C)([n]5cc(ccc5c5[n]6cc(cc5)C)C)(=O)([O]14)=O)(OC(=[O]3)C)([n]1cc(ccc1c1[n]2cc(cc1)C)C)=O
• Title of publication: Uranyl-Promoted Peroxide Generation: Synthesis and Characterization of Three Uranyl Peroxo [(UO2)2(O2)] Complexes.
• Authors of publication: Thangavelu, Sonia G.; Cahill, Christopher L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4208 - 4221
• a: 10.1918 ± 0.0007 Å
• b: 19.2309 ± 0.0013 Å
• c: 16.4631 ± 0.0011 Å
• α: 90°
• β: 101.872 ± 0.001°
• γ: 90°
• Cell volume: 3157.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No