Information card for entry 4343222

Structure parameters

• Common name: dimer8
• Formula: C56 N6 O17 U2
• Calculated formula: C56 N6 O17 U2
• SMILES: [U]123(=O)(OC(=O)c4[n]3cccc4)([O]3[U]45([O]13)(=O)(OC(=O)c1[n]4cccc1)(=O)OC(=O)c1[n]5cccc1)(=O)OC(=O)c1[n]2cccc1.O.O.O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• 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: 18.002 ± 0.002 Å
• b: 18.999 ± 0.003 Å
• c: 19.284 ± 0.003 Å
• α: 88.108 ± 0.002°
• β: 89.618 ± 0.002°
• γ: 77.286 ± 0.002°
• Cell volume: 6430.3 ± 1.6 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: 0.1649
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No