Information card for entry 2243232

Structure parameters

• Chemical name: Bis[μ-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]bis{(thiocyanato-κ<i>S</i>)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ<i>S</i>]silver(I)}
• Formula: C10 H12 Ag2 N14 S6
• Calculated formula: C10 H12 Ag2 N14 S6
• SMILES: [Ag]1([S](=C2NN=CN2)[Ag](SC#N)([S]=C2NC=NN2)[S]1=C1NC=NN1)([S]=C1NN=CN1)SC#N
• Title of publication: Crystal and molecular structures of a binuclear mixed ligand complex of silver(I) with thiocyanate and 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
• Authors of publication: Kreaunakpan, Janjira; Chainok, Kittipong; Halcovitch, Nathan R.; Tiekink, Edward R. T.; Pirojsirikul, Teerapong; Saithong, Saowanit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 1
• Pages of publication: 42 - 47
• a: 4.8718 ± 0.0001 Å
• b: 15.9511 ± 0.0001 Å
• c: 13.9575 ± 0.0001 Å
• α: 90°
• β: 96.945 ± 0.001°
• γ: 90°
• Cell volume: 1076.69 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0255
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes