Information card for entry 7132212

Structure parameters

• Formula: C18 H33 B9 N4 Se2
• Calculated formula: C18 H33 B9 N4 Se2
• SMILES: c1cc(ccn1)N1CCN(CC1)c1cc[nH+]cc1.[C]123([C]45([BH]673[BH]382[BH]21[BH]19%10[BH]%115([BH]546[BH]478[BH]329[BH]%10%1154)[H]1)[Se]C)[Se]C
• 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: 9.4316 ± 0.0004 Å
• b: 11.7393 ± 0.0006 Å
• c: 13.1695 ± 0.0007 Å
• α: 91.699 ± 0.002°
• β: 107.07 ± 0.001°
• γ: 110.878 ± 0.001°
• Cell volume: 1287.58 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No