Information card for entry 1566417

Structure parameters

• Formula: C154 H129 B30 Co3 N8 Nd O6 P6
• Calculated formula: C154 H114 B30 Co3 N8 Nd O6 P6
• 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: 19.004 ± 0.006 Å
• b: 23.285 ± 0.007 Å
• c: 36.829 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16297 ± 9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2423
• Weighted residual factors for all reflections included in the refinement: 0.275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No