Information card for entry 2311377

Structure parameters

• Chemical name: Dimethylbis(morpholine-4-carbodithioato-κ^2^<i>S</i>,<i>S</i>')tin(IV)
• Formula: C12 H22 N2 O2 S4 Sn
• Calculated formula: C12 H22 N2 O2 S4 Sn
• SMILES: [Sn]12(SC(=[S]1)N1CCOCC1)(SC(=[S]2)N1CCOCC1)(C)C
• Title of publication: Secondary bonding in di-methyl-bis-(morpholine-4-carbodi-thio-ato-κ²<i>S</i>,<i>S</i>')tin(IV): crystal structure and Hirshfeld surface analysis.
• Authors of publication: Zaldi, Nordiyana Binti; Hussen, Rusnah Syahila Duali; Lee, See Mun; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 6
• Pages of publication: 842 - 848
• a: 10.1472 ± 0.0001 Å
• b: 13.6653 ± 0.0001 Å
• c: 13.8122 ± 0.0001 Å
• α: 90°
• β: 104.959 ± 0.001°
• γ: 90°
• Cell volume: 1850.36 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No