Information card for entry 2209344

Structure parameters

• Chemical name: catena-Poly[[bis[μ-1-(2-pyridyl)pyridinium-2-thiolate]-κ^2^N:S;κ^2^S:N- dicopper(II)]-di-μ-chloro]
• Formula: C20 H16 Cl2 Cu2 N4 S2
• Calculated formula: C20 H16 Cl2 Cu2 N4 S2
• SMILES: [Cu]12([Cl][Cu][Cl]1)[S]=c1n(cccc1)c1[n](cccc1)[Cu]1([S]=c3n(c4[n]2cccc4)cccc3)[Cl][Cu]([Cl]1)([n]1ccccc1n1c(=S)cccc1)[S]=c1n(cccc1)c1ncccc1
• Title of publication: <i>catena</i>-Poly[[bis[μ-1-(2-pyridyl)pyridinium-2-thiolate]-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-dicopper(I)]-di-μ-chloro]
• Authors of publication: Harding, Phimphaka; Harding, David J.; Pakawatchai, Chaveng; Phetmung, Hirihattaya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1335 - m1337
• a: 7.6268 ± 0.0011 Å
• b: 8.7596 ± 0.0013 Å
• c: 9.2748 ± 0.0014 Å
• α: 72.34 ± 0.002°
• β: 70.924 ± 0.002°
• γ: 67.088 ± 0.002°
• Cell volume: 528.24 ± 0.14 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No