Information card for entry 7102951

Structure parameters

• Formula: C14 H19 N8 O4.5 S2 Zn
• Calculated formula: C14 H19 N8 O4.5 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: 7.284 ± 0.003 Å
• b: 18.525 ± 0.008 Å
• c: 15.046 ± 0.006 Å
• α: 90°
• β: 97.575 ± 0.006°
• γ: 90°
• Cell volume: 2012.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No