Information card for entry 1544790

Structure parameters

• Chemical name: 2,3,5,6-Tetrakis{[(pyridin-2-yl)sulfanyl]methyl}pyrazine
• Formula: C28 H24 N6 S4
• Calculated formula: C28 H24 N6 S4
• SMILES: S(Cc1nc(c(nc1CSc1ncccc1)CSc1ncccc1)CSc1ncccc1)c1ncccc1
• Title of publication: 2,3,5,6-Tetrakis{[(pyridin-2-yl)sulfanyl]methyl}pyrazine
• Authors of publication: Assoumatine, Tokouré; Stoeckli-Evans, Helen
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 12
• Pages of publication: x161977
• a: 11.8139 ± 0.0012 Å
• b: 7.4803 ± 0.0011 Å
• c: 15.5204 ± 0.001 Å
• α: 90°
• β: 96.766 ± 0.008°
• γ: 90°
• Cell volume: 1362 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes