Information card for entry 1566418

Structure parameters

• Formula: C42 H67 B10 N O2 P2
• Calculated formula: C42 H67 B10 N O2 P2
• 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: 11.082 ± 0.003 Å
• b: 11.112 ± 0.003 Å
• c: 37.623 ± 0.01 Å
• α: 93.075 ± 0.004°
• β: 96.139 ± 0.004°
• γ: 101.822 ± 0.004°
• Cell volume: 4495 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1579
• Residual factor for significantly intense reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.2651
• Weighted residual factors for all reflections included in the refinement: 0.2988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No