Information card for entry 1571455

Structure parameters

• Formula: C28 H24 Cl2 N2 O3 U
• Calculated formula: C28 H24 Cl2 N2 O3 U
• Title of publication: The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.
• Authors of publication: Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 6965 - 6978
• a: 9.0602 ± 0.0001 Å
• b: 18.1719 ± 0.0002 Å
• c: 15.7262 ± 0.0002 Å
• α: 90°
• β: 97.135 ± 0.001°
• γ: 90°
• Cell volume: 2569.13 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0202
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No