Information card for entry 2218601

Structure parameters

• Chemical name: 1-(4-chlorophenyl)piperazine-1,4-diium tetrachloridozincate(II) monohydrate
• Formula: C10 H17 Cl5 N2 O Zn
• Calculated formula: C10 H17 Cl5 N2 O Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].Clc1ccc(cc1)[NH+]1CC[NH2+]CC1.O
• Title of publication: 1-(4-Chlorophenyl)piperazine-1,4-diium tetrachloridozincate(II) monohydrate
• Authors of publication: Ben Gharbia, Imen; Kefi, Riadh; El Glaoui, Meher; Jeanneau, Erwann; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m880
• a: 7.2036 ± 0.0002 Å
• b: 15.1575 ± 0.0005 Å
• c: 15.487 ± 0.0005 Å
• α: 90°
• β: 103.012 ± 0.002°
• γ: 90°
• Cell volume: 1647.58 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8945
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes