Information card for entry 1566158

Structure parameters

• Formula: C31 H52 Al B Br4 N4
• Calculated formula: C31 H52 Al B Br4 N4
• 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: 11.781 ± 0.00019 Å
• b: 15.9628 ± 0.0003 Å
• c: 41.3531 ± 0.0007 Å
• α: 90°
• β: 93.4263 ± 0.0016°
• γ: 90°
• Cell volume: 7762.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No