Information card for entry 1566154

Structure parameters

• Formula: C58 H98 Al2 B2 Br8 N6
• Calculated formula: C58 H98 Al2 B2 Br8 N6
• 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: 9.5926 ± 0.0002 Å
• b: 18.3489 ± 0.0005 Å
• c: 22.4133 ± 0.0007 Å
• α: 109.017 ± 0.003°
• β: 98.006 ± 0.002°
• γ: 96.256 ± 0.002°
• Cell volume: 3642.84 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0821
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No