Information card for entry 2240211

Structure parameters

• Common name: Zinc chloride dihemihydrate
• Chemical name: Pentaaqua-μ-chlorido-trichloridodizinc
• Formula: Cl2 H5 O2.5 Zn
• Calculated formula: Cl4 H10 O5 Zn2
• SMILES: [Zn]([Cl][Zn](Cl)(Cl)Cl)([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Crystal structures of ZnCl~2~·2.5H~2~O, ZnCl~2~·3H~2~O and ZnCl~2~·4.5H~2~O
• Authors of publication: Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 515 - 518
• a: 7.2909 ± 0.0005 Å
• b: 9.7971 ± 0.0005 Å
• c: 15.0912 ± 0.001 Å
• α: 90°
• β: 103.375 ± 0.005°
• γ: 90°
• Cell volume: 1048.72 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes