Information card for entry 4330855

Structure parameters

• Formula: C55 H56 Al2 Br7 N11
• Calculated formula: C55 H56 Al2 Br7 N11
• 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: 9.3388 ± 0.0002 Å
• b: 23.5193 ± 0.0007 Å
• c: 13.2184 ± 0.0003 Å
• α: 90°
• β: 90.124 ± 0.002°
• γ: 90°
• Cell volume: 2903.31 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No