Information card for entry 7130612

Structure parameters

• Formula: C57 H57 N7 O2 U
• Calculated formula: C57 H57 N7 O2 U
• Title of publication: Quantitative U=O bond activation in uranyl complexes via silyl radical transfer
• Authors of publication: Valerio, Leyla R.; Hakey, Brett; Brennessel, William W.; Matson, Ellen
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 30.86731 ± 0.00015 Å
• b: 18.79028 ± 0.00009 Å
• c: 19.81812 ± 0.00009 Å
• α: 90°
• β: 97.3495 ± 0.0005°
• γ: 90°
• Cell volume: 11400.2 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No