Information card for entry 2202260

Structure parameters

• Chemical name: Bis(pentachlorophenyl) disulfide
• Formula: C12 Cl10 S2
• Calculated formula: C12 Cl10 S2
• SMILES: Clc1c(SSc2c(Cl)c(Cl)c(c(c2Cl)Cl)Cl)c(Cl)c(c(c1Cl)Cl)Cl
• Title of publication: Bis(pentachlorophenyl) disulfide
• Authors of publication: Deng, Shun-Liu; Long, La-Sheng; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o843 - o844
• a: 15.188 ± 0.004 Å
• b: 8.685 ± 0.003 Å
• c: 14.645 ± 0.003 Å
• α: 90°
• β: 111.12 ± 0.01°
• γ: 90°
• Cell volume: 1802 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes