Information card for entry 4348355

Structure parameters

• Formula: C36 H23 Br3 Cl N3 O11 U2
• Calculated formula: C36 H22 Br3 Cl N3 O11 U2
• SMILES: [U]123(=O)(O[U]4(=O)([O]=C(O4)c4cccc(Br)c4)([O]=C(O1)c1cc(Br)ccc1)(=O)OC(=O)c1cccc(Br)c1)([n]1c(c4[n]2c(c2[n]3cccc2)cc(Cl)c4)cccc1)=O
• 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: 20.7772 ± 0.0008 Å
• b: 7.9807 ± 0.0003 Å
• c: 25.7089 ± 0.001 Å
• α: 90°
• β: 110.925 ± 0.001°
• γ: 90°
• Cell volume: 3981.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No