Information card for entry 2202936

Structure parameters

• Chemical name: Bis(4-pyridylthioacetato)zinc(II)
• Formula: C14 H12 N2 O4 S2 Zn
• Calculated formula: C14 H12 N2 O4 S2 Zn
• SMILES: [Zn]1(OC(=O)CSc2cc[n](cc2)[Zn]OC(=O)CSc2cc[n]1cc2)([n]1ccc(cc1)SCC(=O)[O-])OC(=O)CSc1ccncc1
• Title of publication: <i>catena</i>-Poly[bis(4-pyridylthioacetato)zinc(II)]
• Authors of publication: Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1194 - m1195
• a: 14.968 ± 0.001 Å
• b: 8.45 ± 0.001 Å
• c: 14.084 ± 0.001 Å
• α: 90°
• β: 115.19 ± 0.05°
• γ: 90°
• Cell volume: 1611.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.059
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes