Information card for entry 2005136

Structure parameters

• Formula: C11 H13 Br N2 S Se
• Calculated formula: C11 H13 Br N2 S Se
• Title of publication: 5-Ethylamino-3-<i>p</i>-tolyl-1λ^4^,2,4-thiaselenazol-1-ylium Bromide: a New Heteroaromatic System
• Authors of publication: Billing, D. G.; Boeyens, J. C. A.; Lai, L.-L.; Reid, D. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1718 - 1719
• a: 7.237 ± 0.002 Å
• b: 10.434 ± 0.001 Å
• c: 17.45 ± 0.002 Å
• α: 90°
• β: 99.42 ± 0.01°
• γ: 90°
• Cell volume: 1299.9 ± 0.4 ų
• Cell temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0969
• Goodness-of-fit parameter for significantly intense reflections: 0.983
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No