Information card for entry 4086934

Structure parameters

• Formula: C32 H46 Cl N3 U
• Calculated formula: C32 H46 Cl N3 U
• SMILES: [U]123456(Cl)(N(CC[NH]1CCN2c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[c]1([c]3([c]4([c]5([c]61C)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: 10.1409 ± 0.0007 Å
• b: 20.7383 ± 0.0014 Å
• c: 14.9554 ± 0.0012 Å
• α: 90°
• β: 102.04 ± 0.005°
• γ: 90°
• Cell volume: 3076 ± 0.4 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: 0.0833
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No