Information card for entry 2232535

Structure parameters

• Chemical name: 1-Methylpiperazine-1,4-diium tetrachloridozincate hemihydrate
• Formula: C5 H15 Cl4 N2 O0.5 Zn
• Calculated formula: C5 H15 Cl4 N2 O0.5 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[NH2+]1CC[NH+](CC1)C.O
• Title of publication: 1-Methylpiperazine-1,4-diium tetrachloridozincate hemihydrate
• Authors of publication: Walha, Sondra; Naïli, Houcine; Yahyaoui, Samia; Mhiri, Tahar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1605
• a: 14.321 ± 0.0005 Å
• b: 12.759 ± 0.0005 Å
• c: 13.797 ± 0.0003 Å
• α: 90°
• β: 102.821 ± 0.003°
• γ: 90°
• Cell volume: 2458.16 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes