Information card for entry 7056195

Structure parameters

• Formula: C40 H48 F4 O10 S4 Sn4
• Calculated formula: C40 H48 F4 O10 S4 Sn4
• SMILES: c1cc(ccc1SCC(=O)O[Sn]1(C)([O]2[Sn]3(C)([O]([Sn]2(OC(=[O]1)CSc1ccc(F)cc1)(C)C)[Sn](C)(OC(=O)CSc1ccc(cc1)F)([O]=C(O3)CSc1ccc(F)cc1)C)C)C)F
• Title of publication: Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation
• Authors of publication: Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 5639 - 5650
• a: 11.6817 ± 0.0009 Å
• b: 11.9698 ± 0.001 Å
• c: 17.8333 ± 0.0015 Å
• α: 90°
• β: 94.401 ± 0.001°
• γ: 90°
• Cell volume: 2486.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0874
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No