Information card for entry 4343216

Structure parameters

• Common name: dimer2
• Formula: C26 N4 O18 U2
• Calculated formula: C26 N4 O18 U2
• SMILES: [U]123(=O)(OC(=O)c4[n]3c(C(=O)O2)ccc4)(=O)([O]2[U]34([O]12)(=O)(=O)(OC(=O)c1[n]4c(C(=O)O3)ccc1)[OH2])[OH2].O.O.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: Cation templating and electronic structure effects in uranyl cage clusters probed by the isolation of peroxide-bridged uranyl dimers.
• Authors of publication: Qiu, Jie; Vlaisavljevich, Bess; Jouffret, Laurent; Nguyen, Kevin; Szymanowski, Jennifer E. S.; Gagliardi, Laura; Burns, Peter C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4445 - 4455
• a: 20.833 ± 0.004 Å
• b: 11.573 ± 0.002 Å
• c: 15.8 ± 0.003 Å
• α: 90°
• β: 98.452 ± 0.002°
• γ: 90°
• Cell volume: 3768 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.098
• 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