Information card for entry 1566159

Structure parameters

• Formula: C41 H65 Al B Br4 Cl3 N4 O
• Calculated formula: C41 H65 Al B Br4 Cl3 N4 O
• 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: 12.64878 ± 0.00013 Å
• b: 21.8402 ± 0.0002 Å
• c: 19.4954 ± 0.0002 Å
• α: 90°
• β: 106.767 ± 0.0011°
• γ: 90°
• Cell volume: 5156.68 ± 0.09 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No