Information card for entry 4342815

Structure parameters

• Formula: C28 H30 N4 O10 U2
• Calculated formula: C28 H30 N4 O10 U2
• SMILES: [U]123(=O)(=O)([O]4[U]56(=O)(=O)([O]=C(O6)C)([O]14)[n]1cc(ccc1c1[n]5cc(cc1)C)C)(OC(=[O]2)C)[n]1c(c2[n]3cc(cc2)C)ccc(C)c1
• 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: 10.1075 ± 0.0005 Å
• b: 19.0863 ± 0.0009 Å
• c: 16.2506 ± 0.0007 Å
• α: 90°
• β: 103.195 ± 0.001°
• γ: 90°
• Cell volume: 3052.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No