Information card for entry 8101761

Structure parameters

• Chemical name: piperazinium tetrachlorozincate monohydrate
• Formula: C4 H14 Cl4 N2 O Zn
• Calculated formula: C4 H14 Cl4 N2 O Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].O.[NH2+]1CC[NH2+]CC1
• Title of publication: Crystal structure of piperazinium tetrachlorozincate monohydrate, (C~4~H~12~N~2~)[ZnCl~4~] · H~2~O
• Authors of publication: R. Kefi; C. Ben Nasr
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 241 - 242
• a: 6.5459 ± 0.001 Å
• b: 12.705 ± 0.005 Å
• c: 13.949 ± 0.002 Å
• α: 90 ± 0.02°
• β: 92.92 ± 0.01°
• γ: 90 ± 0.02°
• Cell volume: 1158.6 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0367
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections: 3.587
• Goodness-of-fit parameter for all reflections included in the refinement: 3.59
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No