Information card for entry 4134697

Structure parameters

• Formula: C69 H131 N17 P4 U
• Calculated formula: C69 H131 N17 P4 U
• Title of publication: Two-Electron Oxidative Atom Transfer at a Homoleptic, Tetravalent Uranium Complex.
• Authors of publication: Rice, Natalie T.; McCabe, Karl; Bacsa, John; Maron, Laurent; La Pierre, Henry S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7368 - 7373
• a: 14.9753 ± 0.0017 Å
• b: 22.266 ± 0.003 Å
• c: 47.714 ± 0.006 Å
• α: 90°
• β: 97.018 ± 0.005°
• γ: 90°
• Cell volume: 15791 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No