Information card for entry 2016228

Structure parameters

• Chemical name: catena-Poly[[bis[5-(4-pyridyl-κN)-2-(2-pyridylmethylsulfanyl)-1,3,4-\ oxadiazole]cadmium(II)]-diμ-thiocyanato-κ^2^N:S;κ^2^S:N]
• Formula: C28 H20 Cd N10 O2 S4
• Calculated formula: C28 H20 Cd N10 O2 S4
• SMILES: [Cd]1([n]2ccc(cc2)c2oc(SCc3ncccc3)nn2)([n]2ccc(cc2)c2oc(SCc3ncccc3)nn2)[N]#CS[Cd]([n]2ccc(cc2)c2oc(SCc3ncccc3)nn2)([n]2ccc(cc2)c2oc(SCc3ncccc3)nn2)([N]#CS1)(SC#N)N=C=S
• Title of publication: <i>catena</i>-Poly[[bis[5-(4-pyridyl-κ<i>N</i>)-2-(2-pyridylmethylsulfanyl)-1,3,4-oxadiazole]cadmium(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
• Authors of publication: Ye, E; Wu, Ben-Lai; Niu, Yun-Yin; Zhang, Hong-Yun; Hou, Hong-Wei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m484 - m486
• a: 7.8868 ± 0.0013 Å
• b: 11.106 ± 0.0018 Å
• c: 19.05 ± 0.004 Å
• α: 104.686 ± 0.004°
• β: 93.92 ± 0.005°
• γ: 105.202 ± 0.003°
• Cell volume: 1541.3 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0298
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes