Information card for entry 2233933

Structure parameters

• Chemical name: Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-methyldithiocarbamato-κ<i>S</i>][2,4,6- tris(pyridin-2-yl)-1,3,5-triazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]zinc dioxane sesquisolvate
• Formula: C32 H40 N8 O5 S4 Zn
• Calculated formula: C32 H40 N8 O5 S4 Zn
• SMILES: C(=S)(N(CCO)C)S[Zn]12([n]3c(nc(nc3c3[n]2cccc3)c2ncccc2)c2[n]1cccc2)SC(=S)N(C)CCO.O1CCOCC1.O1CCOCC1
• Title of publication: Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-methyldithiocarbamato-κ<i>S</i>][2,4,6-tris(pyridin-2-yl)-1,3,5-triazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^]zinc dioxane sesquisolvate
• Authors of publication: Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m319 - m320
• a: 11.863 ± 0.01 Å
• b: 13.019 ± 0.011 Å
• c: 13.199 ± 0.011 Å
• α: 107.214 ± 0.012°
• β: 105.78 ± 0.015°
• γ: 100.892 ± 0.011°
• Cell volume: 1792 ± 3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes