Information card for entry 2203341

Structure parameters

• Chemical name: Tetrakis(1,3-dimethylimidazolidinium-2-dithiocarboxylate-κS)zinc perchlorate
• Formula: C24 H40 Cl2 N8 O8 S8 Zn
• Calculated formula: C24 H40 Cl2 N8 O8 S8 Zn
• SMILES: C(=S)(C1=[N+](CCN1C)C)S[Zn](SC(=S)C1=[N+](C)CCN1C)(SC(=S)C1=[N+](CCN1C)C)SC(=S)C1=[N+](CCN1C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Tetrakis(1,3-dimethylimidazolidinium-2-dithiocarboxylate-κ<i>S</i>)zinc(II) diperchlorate
• Authors of publication: Fujihara, Takashi; Sugaya, Tomoaki; Nagasawa, Akira; Nakayama, Juzo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m282 - m284
• a: 28.6778 ± 0.001 Å
• b: 11.3532 ± 0.0004 Å
• c: 12.6453 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4117.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes