Information card for entry 2240212

Structure parameters

• Common name: Zinc chloride trihydrate
• Chemical name: Dexaaquazinc tetrachloridozinc
• Formula: Cl4 H12 O6 Zn2
• Calculated formula: Cl4 H12 O6 Zn2
• SMILES: [OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].Cl[Zn](Cl)([Cl-])[Cl-]
• 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: 6.4339 ± 0.0005 Å
• b: 6.5202 ± 0.0005 Å
• c: 14.2769 ± 0.0011 Å
• α: 90.91 ± 0.006°
• β: 99.146 ± 0.006°
• γ: 95.574 ± 0.006°
• Cell volume: 588.21 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes