Information card for entry 4134064

Structure parameters

• Formula: C32 H90 N5 O2 Si8 U2
• Calculated formula: C32 H90 N5 O2 Si8 U2
• SMILES: [U]1([O]2CCCC2)(N[U]([H]1)([O]1CCCC1)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: C-H Bond Activation by an Isolated Dinuclear U(III)/U(IV) Nitride.
• Authors of publication: Palumbo, Chad T.; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.4218 ± 0.0016 Å
• b: 12.6637 ± 0.0019 Å
• c: 21.703 ± 0.003 Å
• α: 84.395 ± 0.013°
• β: 76.525 ± 0.013°
• γ: 77.75 ± 0.013°
• Cell volume: 2718.6 ± 0.7 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1816
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No