Information card for entry 2243318

Structure parameters

• Chemical name: Poly[[μ~3~3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>;6',7'-<i>e</i>]pyrazine-κ^3^<i>S</i>:<i>S</i>':<i>S</i>''](nitrato-κ<i>O</i>)silver(I)]
• Formula: C12 H16 N2 S4
• Calculated formula: C12 H16 N2 S4
• SMILES: c12c(CSCCSC1)nc1c(CSCCSC1)n2
• 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: 21.1618 ± 0.0018 Å
• b: 7.0585 ± 0.0005 Å
• c: 9.5057 ± 0.0007 Å
• α: 90°
• β: 94.47 ± 0.01°
• γ: 90°
• Cell volume: 1415.55 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes