Information card for entry 4348347

Structure parameters

• Formula: C26 H16 Br2 N2 O6 U
• Calculated formula: C26 H16 Br2 N2 O6 U
• SMILES: [U]12(=O)([O]=C(O1)c1cccc(Br)c1)(=O)(OC(=O)c1cccc(Br)c1)[n]1c3c4[n]2cccc4ccc3ccc1
• 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: 8.9104 ± 0.0008 Å
• b: 12.1555 ± 0.001 Å
• c: 13.0201 ± 0.0011 Å
• α: 63.614 ± 0.004°
• β: 76.124 ± 0.004°
• γ: 84.538 ± 0.003°
• Cell volume: 1226.32 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No