Information card for entry 2233544

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(5-phenyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-thiocyanido-κ^2^<i>N</i>:<i>S</i>]
• Formula: C17 H12 Cu N3 S
• Calculated formula: C17 H12 Cu N3 S
• SMILES: [Cu]1(SC#N)([n]2c(c3[n]1cccc3)ccc(c1ccccc1)c2)[N]#CS[Cu]1[n]2c(c3[n]1cccc3)ccc(c1ccccc1)c2
• Title of publication: <i>catena</i>-Poly[[(5-phenyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-thiocyanido-κ^2^<i>N</i>:<i>S</i>]
• Authors of publication: Cui, Shuxin; Zuo, Minghui; Zhang, Jingping; Zhao, Yulong; Wang, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m165
• a: 7.7978 ± 0.0009 Å
• b: 10.7744 ± 0.0012 Å
• c: 35.325 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2967.9 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes