Information card for entry 4348349

Structure parameters

• Formula: C26 H16 Br4 N2 O7 U
• Calculated formula: C26 H14 Br4 N2 O7 U
• SMILES: c1[n]2[U]3([n]4cccc5ccc(cc1)c2c45)(=O)([O]=C(O3)c1cc(Br)cc(Br)c1)(OC(=O)c1cc(cc(Br)c1)Br)=O.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: 14.2282 ± 0.0008 Å
• b: 6.5817 ± 0.0004 Å
• c: 16.178 ± 0.0009 Å
• α: 90°
• β: 115.259 ± 0.005°
• γ: 90°
• Cell volume: 1370.15 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No