Information card for entry 2222422

Structure parameters

• Chemical name: <i>catena</i>-poly[cadmium(II)-bis(μ-5-amino-1,3,4-thiadiazole-2-thiolato)- κ^2^<i>N</i>^3^:<i>S</i>^2^;κ^2^<i>S</i>^2^:<i>N</i>^3^]
• Formula: C4 H4 Cd N6 S4
• Calculated formula: C4 H4 Cd N6 S4
• SMILES: [Cd]1(Sc2sc(N)n[n]2[Cd]Sc2sc(n[n]12)N)([n]1nc(N)sc1[S-])Sc1sc(N)nn1
• Title of publication: A one-dimensional cadmium(II) complex supported by a sulfur‒nitrogen mixed-donor ligand
• Authors of publication: Gao, Qian; Zhang, Chao-Yan; Cui, Yue; Xie, Ya-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m838 - m839
• a: 12.6419 ± 0.0011 Å
• b: 10.8341 ± 0.001 Å
• c: 7.7241 ± 0.0007 Å
• α: 90°
• β: 92.795 ± 0.001°
• γ: 90°
• Cell volume: 1056.66 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0156
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes