Information card for entry 8102580

Structure parameters

• Chemical name: Poly[bis(2-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)- pyrazine-κ<i>N</i>^4^)di(thiocyanato-κ<i>N</i>)zinc^II^]
• Formula: C14 H10 N12 S2 Zn
• Calculated formula: C14 H10 N12 S2 Zn
• Title of publication: Crystal structure of bis[2-(1H-1,2,4-triazol-1-yl-kN4)pyrazine-kN4]di(thiocyanato-kN)zinc(II), Zn(C6H5N5)2(NCS)2
• Authors of publication: Yu-Fang Shi; Cheng-Qi Liu; Ming-Gen Zhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 81
• a: 7.0415 ± 0.0013 Å
• b: 10.7965 ± 0.0019 Å
• c: 13.725 ± 0.002 Å
• α: 90°
• β: 95.697 ± 0.002°
• γ: 90°
• Cell volume: 1038.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No