Information card for entry 2216188

Structure parameters

• Chemical name: catena-Poly[[bis(thiocyanato-κN)zinc(II)]-μ-1,4-bis(1,2,4-triazol-1- yl)butane]
• Formula: C10 H12 N8 S2 Zn
• Calculated formula: C10 H12 N8 S2 Zn
• SMILES: [Zn](N=C=S)(N=C=S)[n]1cnn(c1)CCCCn1nc[n](c1)[Zn](N=C=S)(N=C=S)[n]1cnn(c1)CCCCn1ncnc1
• Title of publication: <i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)zinc(II)]-μ-1,4-bis(1,2,4-triazol-1-yl)butane]
• Authors of publication: Liang Shen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3045 - m3045
• a: 15.195 ± 0.0009 Å
• b: 5.8261 ± 0.0002 Å
• c: 18.804 ± 0.0007 Å
• α: 90°
• β: 100.893 ± 0.002°
• γ: 90°
• Cell volume: 1634.68 ± 0.13 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes