Information card for entry 2218704

Structure parameters

• Chemical name: [2-(1,3-Dithiolan-2-ylidene)-5-(4-methylphenyl)-3-oxopent-4-enoato- κO]triphenyltin(IV)
• Formula: C35 H32 O3 S2 Sn
• Calculated formula: C35 H32 O3 S2 Sn
• SMILES: [Sn](OC(=O)C(=C1SCCCCS1)C(=O)/C=C/c1ccc(C)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [2-(1,3-Dithiolan-2-ylidene)-5-(4-methylphenyl)-3-oxopent-4-enoato-κ<i>O</i>]triphenyltin(IV)
• Authors of publication: Mei, Ze-Min; Fang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m857
• a: 12.736 ± 0.003 Å
• b: 14.945 ± 0.003 Å
• c: 17.733 ± 0.004 Å
• α: 90°
• β: 106.85 ± 0.03°
• γ: 90°
• Cell volume: 3230.4 ± 1.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes