Information card for entry 7102955

Structure parameters

• Formula: C18 H16 N10 S2
• Calculated formula: C18 H16 N10 S2
• SMILES: c1(n[nH]c(SSc2[nH]nc(c3ccncc3)n2)n1)c1ccncc1.C(#N)C.C(#N)C
• Title of publication: Controllable preparation of Zn(II) coordination polymers: unusual solvothermal formation of a LiGe-type framework directed by in situ S-S coupling of 5-(4-pyridyl)-1H-1,2,4-triazole-3-thiol.
• Authors of publication: Chen, Xu-Dong; Wu, Hui-Fang; Du, Miao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1296 - 1298
• a: 7.713 ± 0.003 Å
• b: 16.871 ± 0.007 Å
• c: 16.121 ± 0.007 Å
• α: 90°
• β: 91.764 ± 0.007°
• γ: 90°
• Cell volume: 2096.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No