Information card for entry 4087130

Structure parameters

• Formula: C40 H61 Cl Li N3 O2 U
• Calculated formula: C40 H61 Cl Li N3 O2 U
• SMILES: [U]1234567([Cl][Li]([O]8CCCC8)([O]8CCCC8)[N]4(CCN1c1c(cc(cc1C)C)C)CCN5c1c(cc(cc1C)C)C)[c]1([c]6([c]7([c]2([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: 13.5441 ± 0.0003 Å
• b: 16.7176 ± 0.0005 Å
• c: 17.3618 ± 0.0004 Å
• α: 90°
• β: 92.952 ± 0.008°
• γ: 90°
• Cell volume: 3925.93 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No