Information card for entry 4134062

Structure parameters

• Formula: C56 H108 B N5 O2 Si8 U2
• Calculated formula: C56 H108 B N5 O2 Si8 U2
• SMILES: [U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)([O]1CCCC1)=[N]=[U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.4354 ± 0.0002 Å
• b: 14.5903 ± 0.0003 Å
• c: 21.2165 ± 0.0005 Å
• α: 84.8203 ± 0.0018°
• β: 81.3108 ± 0.0017°
• γ: 68.8597 ± 0.0018°
• Cell volume: 3546.49 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No