Information card for entry 4343220

Structure parameters

• Common name: dimer6
• Formula: C20 K N3 O26 U2
• Calculated formula: C20 K N3 O26 U2
• SMILES: [U]123(=O)([OH2])(OC(=O)c4[n]3c(ccc4)C(O2)=O)([O]2[U]34(=O)(=O)([OH2])([O]12)OC(=O)c1[n]4c(ccc1)C(O3)=O)=O.[K+].O.O.O.O.O.O.O.O.O.O.[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: 22.961 ± 0.004 Å
• b: 6.9967 ± 0.0011 Å
• c: 25.851 ± 0.004 Å
• α: 90°
• β: 110.903 ± 0.002°
• γ: 90°
• Cell volume: 3879.7 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No