Information card for entry 4134066

Structure parameters

• Formula: C46 H78 N4 O Si6 U2
• Calculated formula: C46 H78 N4 O Si6 U2
• SMILES: [U]123(N[U]456([O]7CCCC7)(N([Si](C)(C)C)[Si](C)(C)C)[C]3([C]2#[C]1c1ccccc1)=[C]4(c1ccccc1)[C]5#[C]6c1ccccc1)(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: 18.1022 ± 0.0005 Å
• b: 13.8129 ± 0.0005 Å
• c: 26.1373 ± 0.0007 Å
• α: 90°
• β: 103.954 ± 0.003°
• γ: 90°
• Cell volume: 6342.6 ± 0.3 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1143
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No