Information card for entry 7135792

Structure parameters

• Formula: C78.22 H86.13 B3 F24 N13 U
• Calculated formula: C78.22 H86.128 B3 F24 N13 U
• Title of publication: Proton-coupled electron transfer driven by coordination-induced bond weakening at a trivalent uranium center.
• Authors of publication: Huerfano, I. J.; Quinn, Tate M.; Kangmennaa, Ahmed; Zeller, Matthias; Bart, Suzanne C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• a: 14.4732 ± 0.0008 Å
• b: 14.7769 ± 0.0009 Å
• c: 21.7868 ± 0.0013 Å
• α: 86.256 ± 0.003°
• β: 76.813 ± 0.003°
• γ: 72.975 ± 0.003°
• Cell volume: 4337.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0522
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No