Information card for entry 4348356

Structure parameters

• Formula: C29 H18 Br2 Cl N3 O6 U
• Calculated formula: C29 H18 Br2 Cl N3 O6 U
• SMILES: [U]12(=O)(=O)(OC(=O)c3ccc(Br)cc3)([n]3c(c4[n]2c(c2[n]1cccc2)cc(Cl)c4)cccc3)OC(=O)c1ccc(Br)cc1
• 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: 8.994 ± 0.0003 Å
• b: 10.4251 ± 0.0004 Å
• c: 16.3687 ± 0.0006 Å
• α: 104.094 ± 0.002°
• β: 94.879 ± 0.002°
• γ: 96.417 ± 0.003°
• Cell volume: 1469.19 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0859
• 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