Information card for entry 4343225

Structure parameters

• Common name: dimer11
• Formula: C32 N4 O14 U2
• Calculated formula: C32 N4 O14 U2
• SMILES: c1(C(=O)O[U]23(=O)([O]=C(C)O2)(=O)[O]2[O]3[U]32([O]=C(C)O3)(=O)(OC(=O)c2ccccn2)=O)ccccn1.C([N+](CC)(CC)CC)C.C([N+](CC)(CC)CC)C
• 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: 14.069 ± 0.002 Å
• b: 10.0359 ± 0.0017 Å
• c: 16.953 ± 0.002 Å
• α: 90°
• β: 124.363 ± 0.01°
• γ: 90°
• Cell volume: 1975.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0807
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No