Information card for entry 7713631

Structure parameters

• Formula: C9 H26 B11 I6 N
• Calculated formula: C9 H26 B11 I6 N
• Title of publication: Regioselective B2–6 penta-iodination of the [CB11H12]– monocarborane cluster by palladium catalysis
• Authors of publication: Lin, Chuhao; Jin, Yujie; Sun, Jizeng; Ye, Zehua; Chen, Tao; Liu, Jiyong; Duttwyler, Simon
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.4164 ± 0.0006 Å
• b: 16.9039 ± 0.0012 Å
• c: 17.2551 ± 0.0012 Å
• α: 90°
• β: 90.216 ± 0.002°
• γ: 90°
• Cell volume: 2746.5 ± 0.3 ų
• Cell temperature: 170.15 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No