Information card for entry 4087131

Structure parameters

• Formula: C48 H62 Cl2 N3 O3 P U
• Calculated formula: C48 H62 Cl2 N3 O3 P U
• Title of publication: A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block
• Authors of publication: Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 665
• a: 13.4818 ± 0.0002 Å
• b: 11.9095 ± 0.0002 Å
• c: 29.3157 ± 0.0005 Å
• α: 90°
• β: 93.3236 ± 0.0006°
• γ: 90°
• Cell volume: 4699.06 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No