Information card for entry 1572321

Structure parameters

• Formula: C56 H58 Br Cl6 Li N6 O4
• Calculated formula: C56 H57 Br Cl6 Li N6 O4
• Title of publication: Ion pair extractant selective for LiCl and LiBr.
• Authors of publication: Heo, Nam Jung; Oh, Ju Hyun; Li, Aimin; Lee, Kyounghoon; He, Qing; Sessler, Jonathan L.; Kim, Sung Kuk
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 13958 - 13965
• a: 13.9123 ± 0.0013 Å
• b: 14.8656 ± 0.0013 Å
• c: 13.084 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2706 ± 0.4 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No