Information card for entry 2223107

Structure parameters

• Chemical name: Dichloridobis(5-heptyl-1,3,4-thiadiazol-2-amine-κ<i>N</i>^3^)zinc(II)
• Formula: C18 H34 Cl2 N6 S2 Zn
• Calculated formula: C18 H34 Cl2 N6 S2 Zn
• SMILES: [Zn](Cl)(Cl)([n]1nc(sc1N)CCCCCCC)[n]1nc(sc1N)CCCCCCC
• Title of publication: Dichloridobis(5-heptyl-1,3,4-thiadiazol-2-amine-κ<i>N</i>^3^)zinc(II)
• Authors of publication: Wang, Peng; Wan, Rong; Wang, Bin; Han, Feng; Wang, Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1086
• a: 8.175 ± 0.0016 Å
• b: 11.663 ± 0.002 Å
• c: 14.666 ± 0.003 Å
• α: 73.15 ± 0.017°
• β: 77.83 ± 0.02°
• γ: 88.81 ± 0.03°
• Cell volume: 1307 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes