Information card for entry 1566160

Structure parameters

• Formula: C54 H77 Al B Br4 N5
• Calculated formula: C54 H77 Al B Br4 N5
• Title of publication: Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations
• Authors of publication: Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2303 - 2309
• a: 14.3058 ± 0.0005 Å
• b: 14.4769 ± 0.0005 Å
• c: 14.7822 ± 0.0005 Å
• α: 82.612 ± 0.003°
• β: 72.27 ± 0.003°
• γ: 89.201 ± 0.003°
• Cell volume: 2890.8 ± 0.18 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No