Information card for entry 1515023

Structure parameters

• Formula: C29 H23 Cl3 N4 O2 U
• Calculated formula: C29 H23 Cl3 N4 O2 U
• SMILES: C(Cl)Cl.[U]123(=O)(=O)(Cl)[n]4cccc5cccc(N1C=C(C=[N]2c1cccc2ccc[n]3c12)c1ccc(cc1)C)c45
• Title of publication: Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl
• Authors of publication: Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1075
• a: 7.2599 ± 0.0004 Å
• b: 12.1368 ± 0.0009 Å
• c: 16.1046 ± 0.0008 Å
• α: 99.775 ± 0.005°
• β: 90.893 ± 0.004°
• γ: 95.133 ± 0.005°
• Cell volume: 1392.11 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No