Information card for entry 2218155

Structure parameters

• Chemical name: Dichloridobis(5-<i>m</i>-tolyl-1,3,4-thiadiazol-2-ylamine-κN^3^)zinc(II)
• Formula: C18 H18 Cl2 N6 S2 Zn
• Calculated formula: C18 H18 Cl2 N6 S2 Zn
• SMILES: [Zn](Cl)(Cl)([n]1nc(sc1N)c1cc(C)ccc1)[n]1nc(sc1N)c1cccc(C)c1
• Title of publication: Dichloridobis(5-<i>m</i>-tolyl-1,3,4-thiadiazol-2-ylamine-κ<i>N</i>^3^)zinc(II)
• Authors of publication: Wang, Bin; Wan, Rong; Yin, Li-He; Han, Feng; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m692 - m693
• a: 10.826 ± 0.002 Å
• b: 11.233 ± 0.002 Å
• c: 17.892 ± 0.004 Å
• α: 90°
• β: 90.1 ± 0.03°
• γ: 90°
• Cell volume: 2175.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes