Information card for entry 2243317

Structure parameters

• Chemical name: Poly[(μ-5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>;3',4'-<i>e</i>]pyrazine-κ^2^<i>S</i>:<i>S</i>')(μ-nitrato-κ^2^<i>O</i>:<i>O</i>')silver(I)]
• Formula: C8 H8 N2 S2
• Calculated formula: C8 H8 N2 S2
• SMILES: c12c(CSC1)nc1c(n2)CSC1
• Title of publication: Silver(I) nitrate two-dimensional coordination polymers of two new pyrazinethiophane ligands: 5,7-dihydro-1<i>H</i>,3<i>H</i>-dithieno[3,4-<i>b</i>:3',4'-<i>e</i>]pyrazine and 3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine
• Authors of publication: Assoumatine, Tokouré; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 539 - 546
• a: 4.1027 ± 0.0004 Å
• b: 12.1789 ± 0.0018 Å
• c: 8.1014 ± 0.0008 Å
• α: 90°
• β: 95.78 ± 0.012°
• γ: 90°
• Cell volume: 402.74 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes