Information card for entry 4343217

Structure parameters

• Common name: dimer3
• Formula: C46 N4 O22 U2
• Calculated formula: C46 N4 O22 U2
• 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: 20.9164 ± 0.0015 Å
• b: 17.7959 ± 0.0012 Å
• c: 18.9742 ± 0.0013 Å
• α: 90°
• β: 115.212 ± 0.001°
• γ: 90°
• Cell volume: 6389.9 ± 0.8 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: 0.0529
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No