Information card for entry 2234630

Structure parameters

• Chemical name: <i>catena</i>-Poly[copper(I)-di-μ-bromido-copper(I)-bis[μ-4-methyl- 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]]
• Formula: C3 H5 Br Cu N3 S
• Calculated formula: C3 H5 Br Cu N3 S
• SMILES: [Cu]1234([Br][Cu]563([Br]4)[S](=C3NN=CN3C)[Cu]5(Br)(Br)[S]6=C3NN=CN3C)[S](=C3NN=CN3C)[Cu]1[S]2=C1NN=CN1C
• Title of publication: <i>catena</i>-Poly[copper(I)-di-μ-bromido-copper(I)-bis[μ-4-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]]
• Authors of publication: Saithong, Saowanit; Charmant, Jonathan; Pakawatchai, Chaveng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m565 - m566
• a: 5.5781 ± 0.0011 Å
• b: 12.931 ± 0.003 Å
• c: 9.81 ± 0.002 Å
• α: 90°
• β: 97.69 ± 0.03°
• γ: 90°
• Cell volume: 701.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes