Information card for entry 4134067

Structure parameters

• Formula: C87 H242 N15 O2 Si24 U6
• Calculated formula: C87 H242 N15 O2 Si24 U6
• 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: 20.4459 ± 0.0004 Å
• b: 20.6717 ± 0.0004 Å
• c: 20.7789 ± 0.0004 Å
• α: 85.1695 ± 0.0017°
• β: 76.7807 ± 0.0018°
• γ: 68.9745 ± 0.0019°
• Cell volume: 7980.3 ± 0.3 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: 0.0479
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No