Information card for entry 2205047

Structure parameters

• Chemical name: (2-Phenylethyl)ammonium tetrabromothallate(III)
• Formula: C8 H12 Br4 N Tl
• Calculated formula: C8 H12 Br4 N Tl
• SMILES: C([NH3+])Cc1ccccc1.Br[Tl](Br)([Br-])Br
• Title of publication: (2-Phenylethyl)ammonium tetrabromothallate(III)
• Authors of publication: M. Abdi; F. Zouari; N. Chniba-Boudjada; P. Bordet; A. Ben Salah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m240 - m241
• a: 17.944 ± 0.001 Å
• b: 11.9692 ± 0.0006 Å
• c: 6.9072 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1483.5 ± 0.13 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes