Information card for entry 7043816

Structure parameters

• Chemical name: [BiBr2(IPr)][AlBr4]*0.5CH2Cl2
• Formula: C27.5 H37 Al Bi Br6 Cl N2
• Calculated formula: C27.5 H37 Al Bi Br6 Cl N2
• SMILES: [Bi]1(Br)(Br)(=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Br][Al]([Br]1)(Br)Br.ClCCl
• Title of publication: N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.
• Authors of publication: Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.2474 ± 0.0003 Å
• b: 17.4318 ± 0.0006 Å
• c: 18.3406 ± 0.0006 Å
• α: 77.136 ± 0.003°
• β: 79.952 ± 0.002°
• γ: 82.507 ± 0.002°
• Cell volume: 3741.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No