Information card for entry 4086937

Structure parameters

• Formula: C36 H55 N3 O U
• Calculated formula: C36 H55 N3 O U
• SMILES: [U]123456(OC(C)(C)C)(N(CC[NH]1CCN2c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)[c]1([c]6([c]5([c]4([c]31C)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: 10.241 ± 0.006 Å
• b: 11.957 ± 0.007 Å
• c: 13.912 ± 0.008 Å
• α: 82.53 ± 0.02°
• β: 81.92 ± 0.02°
• γ: 87.58 ± 0.03°
• Cell volume: 1671.8 ± 1.7 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: 0.0652
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No