Information card for entry 2204172

Structure parameters

• Chemical name: Bis[trans-2-(2-phenylethenyl)pyrazin-4-ium)] tetrachlorozincate
• Formula: C24 H22 Cl4 N4 Zn
• Calculated formula: C24 H22 Cl4 N4 Zn
• SMILES: c1(ncc[nH+]c1)/C=C/c1ccccc1.Cl[Zn](Cl)([Cl-])[Cl-].c1(c[nH+]ccn1)/C=C/c1ccccc1
• Title of publication: Bis[<i>trans</i>-2-(2-phenylethenyl)pyrazin-4-ium] tetrachlorozincate
• Authors of publication: Shi, Xue-Fang; Liu, Hui-Min; Zhang, Wen-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1208 - m1209
• a: 10.806 ± 0.004 Å
• b: 11.777 ± 0.004 Å
• c: 19.944 ± 0.007 Å
• α: 90°
• β: 97.66 ± 0.005°
• γ: 90°
• Cell volume: 2515.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes