Information card for entry 4342819

Structure parameters

• Formula: C38 H34 N6 O16 U3
• Calculated formula: C38 H34 N6 O16 U3
• SMILES: [O](=C(O[U]12([n]3c(c4[n]1cccc4)cccc3c1[n]2cccc1)(=O)(=O)OC(=O)C)C)[U]123(=O)([n]4ccccc4c4[n]1c(ccc4)c1cccc[n]31)([O]1[U]34(=O)([O]=C(C)O4)(=O)([O]=C(C)O3)[O]21)=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: 11.6888 ± 0.0009 Å
• b: 13.3468 ± 0.001 Å
• c: 15.4003 ± 0.0012 Å
• α: 67.657 ± 0.001°
• β: 87.154 ± 0.001°
• γ: 80.617 ± 0.001°
• Cell volume: 2192.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No