Information card for entry 7251294

Structure parameters

• Formula: C68 H33 B Cl4 F42 N4 Te
• Calculated formula: C68 H33 B Cl4 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: 17.7129 ± 0.0007 Å
• b: 23.8886 ± 0.0009 Å
• c: 36.3698 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15389.4 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No