Information card for entry 4088116

Structure parameters

• Formula: C11 H8 Al B Cl5 N
• Calculated formula: C11 H8 Al B Cl5 N
• SMILES: ClB1c2c(c3[n+]1cccc3)cccc2.Cl[Al](Cl)(Cl)[Cl-]
• Title of publication: Facile Arylation of Four-Coordinate Boron Halides by Borenium Cation Mediated Boro-desilylation and -destannylation.
• Authors of publication: Crossley, Daniel L.; Cid, Jessica; Curless, Liam D.; Turner, Michael L.; Ingleson, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5767 - 5774
• a: 7.8789 ± 0.0004 Å
• b: 14.6037 ± 0.001 Å
• c: 13.5927 ± 0.0009 Å
• α: 90°
• β: 98.563 ± 0.005°
• γ: 90°
• Cell volume: 1546.56 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.2033
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No