Information card for entry 4103686

Structure parameters

• Formula: C87.27 H99.27 N8.65 Na2 O16 U
• Calculated formula: C87.26 H99.26 N8.652 Na2 O16 U
• SMILES: c12ccccc1[C@@H]1N3c4ccccc4[N]4=Cc5ccccc5O[U]56734(O2)N([C@H]1c1c(cccc1)O6)c1ccccc1[N]5=Cc1ccccc1O7.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[Na]23456([n]1ccccc1)[n]1ccccc1.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[Na]23456([n]1ccccc1)[n]1ccccc1.n1ccccc1
• 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: 14.019 ± 0.003 Å
• b: 45.018 ± 0.009 Å
• c: 14.96 ± 0.003 Å
• α: 90°
• β: 116.62 ± 0.03°
• γ: 90°
• Cell volume: 8441 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1213
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No