Information card for entry 4081769

Structure parameters

• Formula: C26 H18 Al B Cl6 N2
• Calculated formula: C26 H18 Al B Cl6 N2
• SMILES: Cl[B](Cl)([n]1c2c(cc3c1cccc3)cccc2)[n]1c2ccccc2cc2ccccc12.Cl[Al](Cl)(Cl)[Cl-]
• 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: 10.47 ± 0.002 Å
• b: 12.39 ± 0.003 Å
• c: 22.319 ± 0.005 Å
• α: 103.78 ± 0.03°
• β: 93.49 ± 0.03°
• γ: 108.15 ± 0.03°
• Cell volume: 2643.3 ± 1.2 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: 0.0911
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No