Information card for entry 7718655

Structure parameters

• Formula: C16 H28 B10
• Calculated formula: C16 H28 B10
• Title of publication: Catalytic regioselective 3,4-difunctionalization of 3-iodo-<i>o</i>-carborane <i>via</i> Pd migration.
• Authors of publication: Jiang, Xianren; Ding, Chang-Hua; Qiu, Zaozao; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 8764 - 8768
• a: 10.4627 ± 0.0002 Å
• b: 10.4073 ± 0.0002 Å
• c: 17.9164 ± 0.0003 Å
• α: 90°
• β: 102.475 ± 0.001°
• γ: 90°
• Cell volume: 1904.83 ± 0.06 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No