Information card for entry 2234497

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[2-({6-[(pyrimidin-2-ylsulfanyl-κ<i>S</i>)methyl]pyridin-2- yl-κ<i>N</i>}methylsulfanyl)pyrimidine]copper(I)]-μ-thiocyanato- κ^2^<i>N</i>:<i>S</i>]
• Formula: C16 H13 Cu N6 S3
• Calculated formula: C16 H13 Cu N6 S3
• SMILES: [Cu]1([S](c2ncccn2)Cc2[n]1c(ccc2)CSc1ncccn1)SC#[N][Cu]1(SC#N)[S](c2ncccn2)Cc2[n]1c(ccc2)CSc1ncccn1
• Title of publication: <i>catena</i>-Poly[[[2-({6-[(pyrimidin-2-ylsulfanyl-κ<i>S</i>)methyl]pyridin-2-yl-κ<i>N</i>}methylsulfanyl)pyrimidine]copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
• Authors of publication: Peng, Rong; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m429
• a: 11.1706 ± 0.0008 Å
• b: 8.6735 ± 0.0006 Å
• c: 19.0956 ± 0.0014 Å
• α: 90°
• β: 100.978 ± 0.001°
• γ: 90°
• Cell volume: 1816.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes