Information card for entry 4086932

Structure parameters

• Formula: C45 H55 N3 O U
• Calculated formula: C45 H55 N3 O U
• SMILES: [U]1234567(N(CC[N]3(CCN2c2c(cc(C)cc2C)C)C(O1)(c1ccccc1)c1ccccc1)c1c(cc(C)cc1C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• 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: 10.222 ± 0.002 Å
• b: 13.282 ± 0.003 Å
• c: 14.59 ± 0.003 Å
• α: 100.56 ± 0.03°
• β: 97.75 ± 0.03°
• γ: 93.54 ± 0.03°
• Cell volume: 1921.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No