Information card for entry 2241857

Structure parameters

• Chemical name: [<i>N</i>-Benzyl-<i>N</i>-(2-phenylethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV)
• Formula: C34 H31 N S2 Sn
• Calculated formula: C34 H31 N S2 Sn
• SMILES: [Sn]1(SC(=[S]1)N(Cc1ccccc1)CCc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [<i>N</i>-Benzyl-<i>N</i>-(2-phenylethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV) and [bis(2-methoxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV): crystal structures and Hirshfeld surface analysis
• Authors of publication: Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1480 - 1487
• a: 9.5856 ± 0.0002 Å
• b: 11.614 ± 0.0002 Å
• c: 13.6795 ± 0.0003 Å
• α: 78.043 ± 0.002°
• β: 77.868 ± 0.002°
• γ: 82.358 ± 0.002°
• Cell volume: 1450.2 ± 0.05 ų
• Cell temperature: 139 ± 2 K
• Ambient diffraction temperature: 139 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes