Information card for entry 1566419

Structure parameters

• Formula: C154 H204 B30 Co3 N8 O6 P6 Sm
• Calculated formula: C154 H204 B30 Co3 N8 O6 P6 Sm
• Title of publication: Selective electrochemical capture and release of uranyl from aqueous alkali, lanthanide, and actinide mixtures using redox-switchable carboranes
• Authors of publication: Keener, Megan; Mattejat, Maxwell; Zheng, Shao-Liang; Wu, Guang; Hayton, Trevor W.; Ménard, Gabriel
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 19.0168 ± 0.0013 Å
• b: 23.3163 ± 0.0015 Å
• c: 36.48 ± 0.002 Å
• α: 90°
• β: 90.563 ± 0.003°
• γ: 90°
• Cell volume: 16174.5 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.1066
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.2497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No