Information card for entry 7720514

Structure parameters

• Formula: C16 H28 B11 Cl2 I7 N4
• Calculated formula: C16 H28 B11 Cl2 I7 N4
• Title of publication: Monocarborane-stabilized iodonium salts enable regioselective B12-iodination of [CB₁₁H₁₂]<sup/>.
• Authors of publication: Jiang, Chennuo; Chen, Lianyu; Jin, Yujie; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1109 - 1113
• a: 10.2469 ± 0.0006 Å
• b: 14.9143 ± 0.0008 Å
• c: 24.6138 ± 0.0012 Å
• α: 90°
• β: 93.431 ± 0.002°
• γ: 90°
• Cell volume: 3754.9 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0364
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No