Information card for entry 7116287

Structure parameters

• Formula: C10 H6 Al2 Cl10 N2
• Calculated formula: C10 H6 Al2 Cl10 N2
• SMILES: Clc1[n]([Al](Cl)(Cl)[n]2c(Cl)cccc2Cl)c(Cl)ccc1.[Cl-][Al](Cl)(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: 7.1166 ± 0.0005 Å
• b: 11.566 ± 0.0008 Å
• c: 25.5436 ± 0.0018 Å
• α: 90°
• β: 91.39 ± 0.005°
• γ: 90°
• Cell volume: 2101.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No