Information card for entry 2014036

Structure parameters

• Chemical name: Tetrakis(pyridinium-2-thiolato)zinc(II) dinitrate
• Formula: C20 H20 N6 O6 S4 Zn
• Calculated formula: C20 H20 N6 O6 S4 Zn
• SMILES: N(=O)(=O)[O-].[Zn]([S]=c1cccc[nH]1)([S]=c1cccc[nH]1)([S]=c1cccc[nH]1)[S]=c1cccc[nH]1.N(=O)(=O)[O-]
• Title of publication: Tetrakis(pyridinium-2-thiolato)zinc(II) dinitrate
• Authors of publication: Wen, Yi-Hang; Zhang, Jian; Cheng, Jian-Kai; Li, Zhao-Ji; Qin, Ye-Yan; Kang, Yao; Hu, Rui-Feng; Yao, Yuan-Gen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m248 - m249
• a: 18.534 ± 0.003 Å
• b: 18.534 ± 0.003 Å
• c: 14.693 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5047.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes