Information card for entry 8107340

Structure parameters

• Formula: C26 H38 N2 S4 Sn
• Calculated formula: C26 H38 N2 S4 Sn
• SMILES: [Sn](SC(=S)N(Cc1ccccc1)C)(SC(=S)N(Cc1ccccc1)C)(CCCC)CCCC
• Title of publication: Crystal structure of bis[benzyl(methyl)carbamodithioato-κ 2 S,S′]-di-n-butyltin(IV), C26H38N2S4Sn
• Authors of publication: Abd Aziz, Nurul Amalina; Awang, Normah; Chan, Kok Meng; Kamaludin, Nurul Farahana; Mohamad Anuar, Nur Najmi; Jamaludin, Nur Atiyah Nadhrah; Tan, Yee Seng; Tiekink, Edward R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 15 - 18
• a: 9.6272 ± 0.0001 Å
• b: 12.1043 ± 0.0002 Å
• c: 13.3584 ± 0.0002 Å
• α: 82.296 ± 0.001°
• β: 86.611 ± 0.001°
• γ: 66.912 ± 0.001°
• Cell volume: 1419.02 ± 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: 0.0235
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No