Information card for entry 4081767

Structure parameters

• Formula: C13 H9 Al B Cl6 N
• Calculated formula: C13 H9 Al B Cl6 N
• SMILES: [Cl-][Al](Cl)(Cl)Cl.ClB(Cl)[n]1c2ccccc2cc2ccccc12
• Title of publication: [(acridine)BCl2]+: A Borenium Cation That Is a Strong Boron- and Carbon-Based Lewis Acid
• Authors of publication: Clark, Ewan R.; Ingleson, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6712
• a: 8.6756 ± 0.0005 Å
• b: 9.4614 ± 0.0005 Å
• c: 12.0129 ± 0.0006 Å
• α: 83.265 ± 0.004°
• β: 89.721 ± 0.004°
• γ: 65.574 ± 0.004°
• Cell volume: 890.57 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No