Information card for entry 2221587

Structure parameters

• Chemical name: Piperazinediium tetrachloridozincate(II)
• Formula: C4 H12 Cl4 N2 Zn
• Calculated formula: C4 H12 Cl4 N2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].C1C[NH2+]CC[NH2+]1
• Title of publication: Piperazinediium tetrachloridozincate(II)
• Authors of publication: Sutherland, Pamela A.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m565
• a: 8.2309 ± 0.0003 Å
• b: 11.0845 ± 0.0003 Å
• c: 11.8443 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1080.62 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes