Information card for entry 1575978

Structure parameters

• Formula: C55 H97 N2 O U2
• Calculated formula: C55 H97 N2 O U2
• Title of publication: Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium.
• Authors of publication: Shephard, Angus C. G.; Pedussaut, Lucie; De Marchi, Linda; Demonti, Luca; Rajeshkumar, Thayalan; Casaretto, Nicolas; Maron, Laurent; Danoun, Grégory; Simler, Thomas; Nocton, Grégory
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 21334 - 21345
• a: 10.5775 ± 0.0012 Å
• b: 25.372 ± 0.004 Å
• c: 21.043 ± 0.003 Å
• α: 90°
• β: 101.426 ± 0.009°
• γ: 90°
• Cell volume: 5535.4 ± 1.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.15 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: 0.0672
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No