Information card for entry 4307278

Structure parameters

• Formula: C14 H14 Cl2 S Sn
• Calculated formula: C14 H14 Cl2 S Sn
• SMILES: [Sn](Cl)(Cl)(Cc1c(SC)cccc1)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: 9.646 ± 0.001 Å
• b: 9.656 ± 0.002 Å
• c: 16.592 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1545.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No