Information card for entry 1575207

Structure parameters

• Formula: C92 H134 K N3 O9 U
• Calculated formula: C92 H134 K N3 O9 U
• Title of publication: C-C bond cleavage and carbonylation enabled by an NNN-pincer uranium scaffold <i>via</i> metal-arene interaction.
• Authors of publication: Pang, Yue; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 16101 - 16109
• a: 13.394 ± 0.0003 Å
• b: 14.0175 ± 0.0002 Å
• c: 25.0941 ± 0.0005 Å
• α: 89.5052 ± 0.0015°
• β: 75.245 ± 0.0017°
• γ: 69.4982 ± 0.0018°
• Cell volume: 4250.57 ± 0.16 ų
• Cell temperature: 139.99 ± 0.1 K
• Ambient diffraction temperature: 139.99 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No