Information card for entry 7043817

Structure parameters

• Chemical name: [(aIPr)SbBr2][AlBr4]
• Formula: C54 H72 Al Br6 N4 Sb
• Calculated formula: C54 H72 Al Br6 N4 Sb
• SMILES: [Sb](Br)(Br)(c1[n+](cn(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1[n+](cn(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Al](Br)(Br)(Br)[Br-]
• 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: 10.5273 ± 0.0001 Å
• b: 18.6503 ± 0.0001 Å
• c: 30.8129 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6049.72 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No