Information card for entry 7029567

Structure parameters

• Formula: C56 H84 O4 S2 Sn
• Calculated formula: C56 H84 O4 S2 Sn
• SMILES: [Sn](Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
• 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: 10.7347 ± 0.0002 Å
• b: 10.5189 ± 0.0002 Å
• c: 50.3571 ± 0.0008 Å
• α: 90°
• β: 95.463 ± 0.002°
• γ: 90°
• Cell volume: 5660.36 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No