Information card for entry 7020422

Structure parameters

• Formula: C38 H52 N4 O2 S2 Sn
• Calculated formula: C38 H52 N4 O2 S2 Sn
• SMILES: c1(cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)[Sn](c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(Sc1nccc(C)n1)Sc1nccc(C)n1
• 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: 10.8406 ± 0.0002 Å
• b: 19.1873 ± 0.0004 Å
• c: 18.7686 ± 0.0004 Å
• α: 90°
• β: 95.944 ± 0.002°
• γ: 90°
• Cell volume: 3882.91 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No