Information card for entry 7214170

Structure parameters

• Formula: C8 H6 N4 S
• Calculated formula: C8 H6 N4 S
• SMILES: S(c1cnccn1)c1nccnc1
• Title of publication: A series of 2-D and 3-D silver(i) coordination polymers constructed from a new angular-shaped di-2-pyrazinylsulfide: role of anions in molecular construction
• Authors of publication: Wan, Chong-Qing; Zhang, Ya; Sun, Xin-Zhan; Yan, Hao-Jie
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 2959
• a: 3.9061 ± 0.0001 Å
• b: 20.4757 ± 0.0003 Å
• c: 10.6097 ± 0.0002 Å
• α: 90°
• β: 98.436 ± 0.001°
• γ: 90°
• Cell volume: 839.38 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No