Information card for entry 7716332

Structure parameters

• Formula: C54 H49 Br Cl12 F10 N8 O12 Te2
• Calculated formula: C54 H49 Br Cl12 F10 N8 O12 Te2
• Title of publication: Ammonium Halide Selective Ion Pair Recognition and Extraction with a Chalcogen Bonding Heteroditopic Receptor
• Authors of publication: Docker, Andrew; Tse, Yuen Cheong; Tay, Hui Min; Zhang, Zongyao; Beer, Paul D.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 17.2868 ± 0.0004 Å
• b: 20.8341 ± 0.0005 Å
• c: 25.0337 ± 0.0005 Å
• α: 85.749 ± 0.002°
• β: 89.525 ± 0.002°
• γ: 68.431 ± 0.002°
• Cell volume: 8359.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No