Information card for entry 2017706

Structure parameters

• Common name: Tris(4-bromophenyl)amine
• Chemical name: 4-bromo-N,N-bis(4-bromophenyl)aniline
• Formula: C18 H12 Br3 N
• Calculated formula: C18 H12 Br3 N
• SMILES: Brc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
• 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: 9.397 ± 0.0006 Å
• b: 16.0352 ± 0.0015 Å
• c: 11.3688 ± 0.0007 Å
• α: 90°
• β: 107.534 ± 0.004°
• γ: 90°
• Cell volume: 1633.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes