Information card for entry 4348352

Structure parameters

• Formula: C29 H19 Br2 N3 O6 U
• Calculated formula: C29 H19 Br2 N3 O6 U
• SMILES: Brc1ccc(cc1)C(=O)O[U]12(=O)(=O)(OC(=O)c3ccc(Br)cc3)[n]3c(c4[n]2cccc4)cccc3c2[n]1cccc2
• 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: 8.7005 ± 0.0004 Å
• b: 10.3737 ± 0.0005 Å
• c: 16.696 ± 0.0008 Å
• α: 107.848 ± 0.004°
• β: 95.093 ± 0.004°
• γ: 95.359 ± 0.003°
• Cell volume: 1417.13 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No