Information card for entry 2216387

Structure parameters

• Chemical name: Triphenyl(4-amino-5-phenyl-4H-1,2,4-triazole-3-thiol-κN^2^)tin(IV)
• Formula: C26 H22 N4 S Sn
• Calculated formula: C26 H22 N4 S Sn
• SMILES: [Sn](N1N=C(N(N)C1=S)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (4-Amino-3-phenyl-5-thioxo-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl)triphenyltin(IV)
• Authors of publication: Qingfeng Wang; Rufen Zhang; Lingyun Du
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2959 - m2959
• a: 8.964 ± 0.008 Å
• b: 9.656 ± 0.008 Å
• c: 15.481 ± 0.013 Å
• α: 84.423 ± 0.01°
• β: 86.911 ± 0.01°
• γ: 63.11 ± 0.008°
• Cell volume: 1189.4 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes