Information card for entry 1552280

Structure parameters

• Formula: C28 H26 N4 O3 S Sn
• Calculated formula: C28 H26 N4 O3 S Sn
• SMILES: [Sn]12(SC(N/N=C/c3ccccc3O)=N[N]2=Cc2ccccc2O1)(c1ccccc1)c1ccccc1.OC
• Title of publication: Tin thiocarbonohydrazone complexes: synthesis, crystal structures and biological evaluation
• Authors of publication: Wang, Jin; Wang, Ting; Fang, Yan; Lu, Yanli; Li, Xue
• Journal of publication: Toxicology Research
• Year of publication: 2019
• a: 9.3571 ± 0.0004 Å
• b: 17.0983 ± 0.0008 Å
• c: 34.3432 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5494.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No