Information card for entry 7020424

Structure parameters

• Formula: C35 H46 Cl N O2 S2 Sn
• Calculated formula: C35 H44 Cl N O2 S2 Sn
• SMILES: c12[n](c3c(cccc3)s2)[Sn](c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)(c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)(S1)Cl
• Title of publication: Synthesis, structural characterization and in vitro inhibitory studies against human breast cancer of the bis-(2,6-di-tert-butylphenol)tin(iv) dichloride and its complexes.
• Authors of publication: Shpakovsky, D. B.; Banti, C. N.; Beaulieu-Houle, G; Kourkoumelis, N.; Manoli, M.; Manos, M. J.; Tasiopoulos, A. J.; Hadjikakou, S. K.; Milaeva, E. R.; Charalabopoulos, K.; Bakas, T.; Butler, I. S.; Hadjiliadis, N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14568 - 14582
• a: 13.0191 ± 0.0004 Å
• b: 10.1141 ± 0.0003 Å
• c: 27.4822 ± 0.0009 Å
• α: 90°
• β: 102.059 ± 0.003°
• γ: 90°
• Cell volume: 3538.9 ± 0.19 ų
• Cell temperature: 100.7 ± 0.3 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No