Information card for entry 7251293

Structure parameters

• Formula: C72 H56 B Cl F42 N3 O6 Te en lv so t
• Calculated formula: C72 H56 B Cl F42 N3 O6 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: 13.0176 ± 0.0009 Å
• b: 15.0572 ± 0.0009 Å
• c: 22.0361 ± 0.0015 Å
• α: 95.134 ± 0.002°
• β: 94.794 ± 0.002°
• γ: 100.996 ± 0.002°
• Cell volume: 4200.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 12
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No