Information card for entry 8105246

Structure parameters

• Formula: C23 H22 Cl3 N S2 Sn
• Calculated formula: C23 H22 Cl3 N S2 Sn
• SMILES: [Sn]1(Cl)(SC(=[S]1)N(C)Cc1ccccc1)(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
• Title of publication: Crystal structure of (N-benzyl-N-methyl-dithiocarbamato-κ2 S,S′)di(4-chlorobenzyl)chloridotin(IV), C23H22Cl3NS2Sn
• Authors of publication: Lo, Kong Mun; Mun, Lee See; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 647 - 649
• a: 9.3954 ± 0.0001 Å
• b: 10.2747 ± 0.0001 Å
• c: 12.8743 ± 0.0002 Å
• α: 99.427 ± 0.001°
• β: 94.247 ± 0.001°
• γ: 95.817 ± 0.001°
• Cell volume: 1214.51 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No