Information card for entry 4343226

Structure parameters

• Common name: dimer12
• Formula: C8 K6 O26 U2
• Calculated formula: C8 K6 O26 U2
• SMILES: [U]123(OC(=O)C(O2)=O)(OC(=O)C(O1)=O)(=O)([O]1[U]24(=O)(OC(=O)C(=O)O4)(OC(=O)C(=O)O2)([O]31)=O)=O.[K+].[K+].[K+].[K+].[K+].[K+].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: 17.392 ± 0.004 Å
• b: 12.102 ± 0.003 Å
• c: 13.962 ± 0.003 Å
• α: 90°
• β: 111.526 ± 0.004°
• γ: 90°
• Cell volume: 2733.7 ± 1.1 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: 0.0302
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No