Information card for entry 1575209

Structure parameters

• Formula: C67 H102 N3 O5 U
• Calculated formula: C59 H86 N3 O3 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: 28.4069 ± 0.0004 Å
• b: 15.1709 ± 0.0002 Å
• c: 30.045 ± 0.0004 Å
• α: 90°
• β: 95.1738 ± 0.0013°
• γ: 90°
• Cell volume: 12895.4 ± 0.3 ų
• Cell temperature: 140 ± 0.12 K
• Ambient diffraction temperature: 140 ± 0.12 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0224
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No