Information card for entry 7251295

Structure parameters

• Formula: C64 H33 B F42 N4 Te
• Calculated formula: C64 H33 B F42 N4 Te
• Title of publication: Supramolecular Assemblies Involving Triaryltelluronium Cations: Combining Chalcogen Bonding, Hydrogen Bonding and Lone Pair–pi Interactions
• Authors of publication: Groslambert, Loic; Padilla-Hernandez, Andres; Hasija, Avantika; Aubert, Emmanuel; Pale, Patrick; Mamane, Victor
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 38.275 ± 0.003 Å
• b: 17.6108 ± 0.0015 Å
• c: 20.7058 ± 0.0016 Å
• α: 90°
• β: 94.238 ± 0.002°
• γ: 90°
• Cell volume: 13918.7 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1923
• Residual factor for significantly intense reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.2558
• Weighted residual factors for all reflections included in the refinement: 0.2934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No