Information card for entry 2233517

Structure parameters

• Chemical name: [3-Methoxy-1-(phenylsulfanyl)propyl]triphenyltin(IV) benzene 0.17-solvate
• Formula: C29 H29 O S Sn
• Calculated formula: C29 H29 O S Sn
• SMILES: O(C)CCC([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccc1.c1ccccc1
• Title of publication: [3-Methoxy-1-(phenylsulfanyl)propyl]triphenyltin(IV) benzene 0.17-solvate
• Authors of publication: Ludwig, Gerd; Block, Michael; Wagner, Christoph; Steinborn, Dirk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m149
• a: 35.338 ± 0.003 Å
• b: 35.338 ± 0.003 Å
• c: 10.566 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11426.8 ± 1.6 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections: 0.99
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes