Information card for entry 7116288

Structure parameters

• Formula: C5 H3 Al B Cl8 N
• Calculated formula: C5 H3 Al B Cl8 N
• SMILES: Cl[Al](Cl)(Cl)[Cl-].Clc1cccc(Cl)[n]1B(Cl)Cl
• Title of publication: Regioselective electrophilic borylation of haloarenes.
• Authors of publication: Del Grosso, Alessandro; Ayuso Carrillo, Josue; Ingleson, Michael J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 14
• Pages of publication: 2878
• a: 7.2646 ± 0.0004 Å
• b: 13.5445 ± 0.0008 Å
• c: 14.7907 ± 0.0007 Å
• α: 90°
• β: 97.625 ± 0.005°
• γ: 90°
• Cell volume: 1442.47 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No