Information card for entry 7720515

Structure parameters

• Formula: C16 H28 B11 Br6 Cl2 I N4
• Calculated formula: C16 H28 B11 Br6 Cl2 I 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: 9.7127 ± 0.0003 Å
• b: 14.5096 ± 0.0005 Å
• c: 24.3406 ± 0.0008 Å
• α: 90°
• β: 90.922 ± 0.001°
• γ: 90°
• Cell volume: 3429.81 ± 0.19 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No