Information card for entry 2208572

Structure parameters

• Chemical name: catena-poly[bis(N-oxopyridine-2-thiolato)cadmium(II)]
• Formula: C10 H8 Cd N2 O2 S2
• Calculated formula: C10 H8 Cd N2 O2 S2
• SMILES: [Cd]123(Sc4n(cccc4)=[O]1[Cd]1Sc4n(=[O]12)cccc4)(Sc1n(cccc1)=[O]3)[O]=n1ccccc1[S-]
• Title of publication: <i>catena</i>-Poly[cadmium(II)-di-μ-<i>N</i>-oxopyridine-2-thiolato]
• Authors of publication: Wang, Xiu-Jian; Gui, Liu-Chen; Shen, Zhong-Su; Ni, Qing-Ling; Zeng, Jian-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m931 - m933
• a: 10.0858 ± 0.0009 Å
• b: 3.8057 ± 0.0004 Å
• c: 14.5664 ± 0.0013 Å
• α: 90°
• β: 100.648 ± 0.002°
• γ: 90°
• Cell volume: 549.48 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes