Information card for entry 7132214

Structure parameters

• Formula: C17 H31 B9 I2 N2 O
• Calculated formula: C17 H31 B9 I2 N2 O
• Title of publication: Carborane-based heteromolecular extended networks driven by directional C–Te•••N chalcogen bonding interactions
• Authors of publication: Beau, Maxime; Jeannin, olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique; Lee, Sunhee; Han, Won-Sik; Jeon, Ie-Rang
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 11.85 ± 0.0007 Å
• b: 12.0645 ± 0.0008 Å
• c: 18.8033 ± 0.0012 Å
• α: 90°
• β: 105.424 ± 0.003°
• γ: 90°
• Cell volume: 2591.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No