Information card for entry 4134063

Structure parameters

• Formula: C28 H79 N5 O Si8 U2
• Calculated formula: C28 H79 N5 O Si8 U2
• SMILES: [U]1(=[N]=[U]2([O]3CCCC3)(N([Si]([CH2]12)(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: 12.0237 ± 0.0003 Å
• b: 26.7386 ± 0.0006 Å
• c: 16.445 ± 0.0004 Å
• α: 90°
• β: 108.891 ± 0.003°
• γ: 90°
• Cell volume: 5002.2 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No