Information card for entry 1566416

Structure parameters

• Formula: C254 H332 B60 Co4 N7 O14 P12 Th2
• Calculated formula: C254 H320 B60 Co4 N7 O14 P12 Th2
• 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: 70.509 ± 0.006 Å
• b: 17.5517 ± 0.0016 Å
• c: 23.4008 ± 0.0019 Å
• α: 90°
• β: 108.146 ± 0.004°
• γ: 90°
• Cell volume: 27519 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 109.97 K
• Number of distinct elements: 8
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No