Information card for entry 4307277

Structure parameters

• Chemical name: (2-thiomethylbenzyl)triphenyltin
• Formula: C20 H19 Cl S Sn
• Calculated formula: C20 H19 Cl S Sn
• SMILES: [Sn](Cl)(Cc1c(SC)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Intramolecular Chalcogen-Tin Interactions in (o-MeE-C6H4)CH2SnPh3-nCln (E = S, O; n= 0, 1, 2), Characterized by X-ray Diffraction and 119Sn Solution and Solid-State NMR
• Authors of publication: Teresita Munguia; Marcela López-Cardoso; Francisco Cervantes-Lee; Keith H. Pannell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1305 - 1314
• a: 8.8031 ± 0.0006 Å
• b: 27.5903 ± 0.0018 Å
• c: 8.5728 ± 0.0006 Å
• α: 90°
• β: 113.822 ± 0.001°
• γ: 90°
• Cell volume: 1904.8 ± 0.2 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: 0.0382
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.425
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No