Information card for entry 7102952

Structure parameters

• Formula: C14 H12 N8 O2 S2 Zn
• Calculated formula: C14 H8 N8 O2 S2 Zn
• 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: 17.9622 ± 0.0011 Å
• b: 17.9622 ± 0.0011 Å
• c: 21.89 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7062.7 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No