Information card for entry 4330853

Structure parameters

• Common name: trans-Difluoro-tetrakis(pyridine)-aluminium bromide
• Formula: C20 H20 Al Br F2 N4
• Calculated formula: C20 H20 Al Br F2 N4
• SMILES: c1cccc[n]1[Al](F)([n]1ccccc1)(F)([n]1ccccc1)[n]1ccccc1.[Br-]
• Title of publication: Syntheses and Characterization of Salts with the [Al(D)4F2]+ Cation (D = Pyridine or Water)
• Authors of publication: Anton Dimitrov; Detlef Heidemann; Khalaf I. Khallow; Erhard Kemnitz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11612 - 11622
• a: 14.8509 ± 0.0005 Å
• b: 11.8375 ± 0.0004 Å
• c: 12.9196 ± 0.0004 Å
• α: 90°
• β: 118.869 ± 0.002°
• γ: 90°
• Cell volume: 1988.98 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No