Information card for entry 7052575

Structure parameters

• Formula: C8 H6 N4 O2 S
• Calculated formula: C8 H6 N4 O2 S
• SMILES: S(=O)(=O)(c1nccnc1)c1nccnc1
• Title of publication: Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts
• Authors of publication: Wan, Chong-Qing; Mak, Thomas C. W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 319
• a: 5.7845 ± 0.001 Å
• b: 7.2446 ± 0.0013 Å
• c: 22.243 ± 0.004 Å
• α: 90°
• β: 92.951 ± 0.004°
• γ: 90°
• Cell volume: 930.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No