Information card for entry 2226808

Structure parameters

• Chemical name: (<i>S</i>)-1,2,4-Trimethylpiperazine-1,4-diium tetrachloridozincate(II)
• Formula: C7 H18 Cl4 N2 Zn
• Calculated formula: C7 H18 Cl4 N2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[C@@H]1(C[NH+](CC[NH+]1C)C)C
• Title of publication: (<i>S</i>)-1,2,4-Trimethylpiperazine-1,4-diium tetrachloridozincate(II)
• Authors of publication: Ru, Zong-ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m1013
• a: 8.5197 ± 0.0017 Å
• b: 9.7036 ± 0.0019 Å
• c: 17.013 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1406.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes