Information card for entry 7706228

Structure parameters

• Formula: C46 H62 B10
• Calculated formula: C46 H62 B10
• Title of publication: Pd-Catalyzed sequential B(3)-I/B(4)-H bond activation for the synthesis of 3,4-benzo-<i>o</i>-carboranes.
• Authors of publication: Ge, Yixiu; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 1766 - 1773
• a: 12.911 ± 0.002 Å
• b: 15.49 ± 0.003 Å
• c: 26.271 ± 0.004 Å
• α: 96.1 ± 0.003°
• β: 90.51 ± 0.003°
• γ: 112.747 ± 0.003°
• Cell volume: 4810.7 ± 1.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1856
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No