Information card for entry 4343227

Structure parameters

• Common name: dimer13
• Formula: C8 Na6 O28 U2
• Calculated formula: C8 Na6 O28 U2
• SMILES: C1(O[U]23(=O)(=O)(OC1=O)(OC(C(O3)=O)=O)[O]1[O]2[U]231(=O)(=O)(OC(=O)C(=O)O3)OC(=O)C(=O)O2)=O.[Na+].O.[Na+].O.O.[Na+].O.[Na+].[Na+].[Na+].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: 6.7371 ± 0.0013 Å
• b: 12.337 ± 0.002 Å
• c: 16.243 ± 0.003 Å
• α: 90°
• β: 113.554 ± 0.006°
• γ: 90°
• Cell volume: 1237.6 ± 0.4 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: 0.0331
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No