Information card for entry 4103685

Structure parameters

• Formula: C40 H28 N4 O4 U
• Calculated formula: C40 H28 N4 O4 U
• SMILES: [U]123456(Oc7ccccc7C=[N]2c2ccccc2[N]3=Cc2ccccc2O1)Oc1ccccc1C=[N]5c1ccccc1[N]6=Cc1ccccc1O4
• Title of publication: Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes
• Authors of publication: Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17374 - 17377
• a: 11.0533 ± 0.0004 Å
• b: 16.159 ± 0.0005 Å
• c: 18.3135 ± 0.0006 Å
• α: 90°
• β: 104.828 ± 0.004°
• γ: 90°
• Cell volume: 3162.05 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0845
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No