Information card for entry 4343221

Structure parameters

• Common name: dimer7
• Formula: C22 N4 O20.66666 U2
• Calculated formula: C22 N4 O20.6667 U2
• SMILES: C1(=O)O[U]23(=O)([n]4c(C(O2)=O)cccc14)([OH2])(=O)[O]1[U]24(=O)(=O)([O]31)([n]1c(C(O2)=O)cccc1C(=O)O4)[OH2].[N+](C)(C)(C)C.[N+](C)(C)(C)C.O.O.O.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: 12.1598 ± 0.0011 Å
• b: 12.4557 ± 0.0011 Å
• c: 18.0833 ± 0.0016 Å
• α: 90.944 ± 0.001°
• β: 97.846 ± 0.001°
• γ: 104.41 ± 0.001°
• Cell volume: 2624.2 ± 0.4 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: 0.0324
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No