Information card for entry 7029564

Structure parameters

• Formula: C40 H52 O2 S2 Sn
• Calculated formula: C40 H52 O2 S2 Sn
• SMILES: c1(cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)S[Sn](c1ccccc1)(Sc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccccc1
• Title of publication: Synthesis, antiradical activity and in vitro cytotoxicity of novel organotin complexes based on 2,6-di-tert-butyl-4-mercaptophenol.
• Authors of publication: Shpakovsky, D. B.; Banti, C. N.; Mukhatova, E. M.; Gracheva, Yu A.; Osipova, V. P.; Berberova, N. T.; Albov, D. V.; Antonenko, T. A.; Aslanov, L. A.; Milaeva, E. R.; Hadjikakou, S. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6880 - 6890
• a: 20.229 ± 0.0008 Å
• b: 6.567 ± 0.0002 Å
• c: 28.8757 ± 0.0012 Å
• α: 90°
• β: 90.271 ± 0.003°
• γ: 90°
• Cell volume: 3835.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1258
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.613
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No