Information card for entry 2234502

Structure parameters

• Chemical name: 2,3-Bis(thiophen-2-yl)pyrazine[2,3-<i>f</i>][1,10]phenanthroline
• Formula: C22 H12 N4 S2
• Calculated formula: C22 H12 N4 S2
• SMILES: s1c(c2nc3c4c(nccc4)c4c(c3nc2c2sccc2)cccn4)ccc1
• Title of publication: 2,3-Bis(thiophen-2-yl)pyrazine[2,3-<i>f</i>][1,10]phenanthroline
• Authors of publication: Zheng, Chang-Ge; Kong, Jun; Zhang, Peng; Dong, Wen-Xian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1443
• a: 27.016 ± 0.005 Å
• b: 10.267 ± 0.002 Å
• c: 13.835 ± 0.003 Å
• α: 90°
• β: 117.04 ± 0.03°
• γ: 90°
• Cell volume: 3418 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes