Information card for entry 4343223

Structure parameters

• Common name: dimer9
• Formula: C56 N6 O18 U2
• Calculated formula: C56 N6 O18 U2
• SMILES: c1(C(=O)O[U]2(=O)(=O)(OC(=O)c3ccccn3)[O]3[O]2[U]23([n]3c(C(=O)O2)cccc3)(=O)(=O)OC(=O)c2ncccc2)ncccc1.[N+](CCCC)(CCCC)(CCCC)CCCC.O.O.[N+](CCCC)(CCCC)(CCCC)CCCC.O.O
• 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: 10.8787 ± 0.0011 Å
• b: 13.0194 ± 0.0013 Å
• c: 13.0326 ± 0.0013 Å
• α: 73.48 ± 0.001°
• β: 71.442 ± 0.001°
• γ: 70.932 ± 0.001°
• Cell volume: 1620 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No