Information card for entry 8101546

Structure parameters

• Common name: thallium sulfanilate hemihydrate
• Formula: C6 H7 N O3.5 S Tl
• Calculated formula: C6 H7 N O3.5 S Tl
• SMILES: [O-]S(=O)(=O)c1ccc(cc1)N.[Tl+].O
• Title of publication: Crystal structure of thallium sulfanilate semihydrate, TlH~2~NC~6~H4SO~3~ · 0.5 H~2~O
• Authors of publication: Schreuer, Jürgen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 3
• Pages of publication: 313 - 314
• a: 9.866 ± 0.002 Å
• b: 19.799 ± 0.004 Å
• c: 10.079 ± 0.002 Å
• α: 90°
• β: 114.98 ± 0.03°
• γ: 90°
• Cell volume: 1784.6 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0708
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No