Information card for entry 4348348

Structure parameters

• Formula: C26 H16 Br2 N2 O6 U
• Calculated formula: C26 H16 Br2 N2 O6 U
• SMILES: [U]123(=O)(=O)([O]=C(O1)c1ccc(Br)cc1)([O]=C(O2)c1ccc(Br)cc1)[n]1c2c4[n]3cccc4ccc2ccc1
• Title of publication: Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state
• Authors of publication: Carter, Korey P.; Cahill, Christopher L.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 141
• a: 12.4466 ± 0.0008 Å
• b: 21.6789 ± 0.0013 Å
• c: 9.411 ± 0.0006 Å
• α: 90°
• β: 95.249 ± 0.004°
• γ: 90°
• Cell volume: 2528.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No