Information card for entry 2207062

Structure parameters

• Chemical name: Bis(3-methylmercapto-5-mercapto-1,2,4-thiadiazole)dibutyltin(IV)
• Formula: C14 H24 N4 S6 Sn
• Calculated formula: C14 H24 N4 S6 Sn
• SMILES: [Sn]12([n]3c(snc3SC)S1)([n]1c(snc1SC)S2)(CCCC)CCCC
• Title of publication: Dibutylbis(3-methylsulfanyl-1,2,4-thiadiazole-5-thiolato)tin(IV)
• Authors of publication: Jun-Hong Zhang; Ru-Fen Zhang; Chun-Lin Ma; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2075 - m2077
• a: 9.386 ± 0.004 Å
• b: 10.059 ± 0.005 Å
• c: 13.561 ± 0.006 Å
• α: 77.549 ± 0.006°
• β: 82.877 ± 0.006°
• γ: 68.646 ± 0.006°
• Cell volume: 1162.9 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes