Information card for entry 2017705

Structure parameters

• Common name: Magic Blue
• Chemical name: tris(4-bromophenyl)aminium hexachloridoantimonate
• Formula: C18 H12 Br3 Cl6 N Sb
• Calculated formula: C18 H12 Br3 Cl6 N Sb
• SMILES: Brc1ccc([NH+](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.[Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-]
• Title of publication: Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization
• Authors of publication: Quiroz-Guzman, Mauricio; Brown, Seth N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m171 - m173
• a: 17.4052 ± 0.0007 Å
• b: 16.4768 ± 0.0007 Å
• c: 16.7408 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4801 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes