Information card for entry 2243091

Structure parameters

• Chemical name: (<i>N</i>,<i>N</i>'-Diisopropyldithiocarbamato)triphenyltin(IV)
• Formula: C25 H29 N S2 Sn
• Calculated formula: C25 H29 N S2 Sn
• SMILES: [Sn]1(SC(=[S]1)N(C(C)C)C(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (<i>N</i>,<i>N</i>'-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
• Authors of publication: Haezam, Farah Natasha; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1479 - 1485
• a: 9.7572 ± 0.0001 Å
• b: 11.703 ± 0.0002 Å
• c: 11.7602 ± 0.0002 Å
• α: 74.419 ± 0.001°
• β: 80.114 ± 0.001°
• γ: 67.285 ± 0.002°
• Cell volume: 1189.7 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0151
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes