Information card for entry 2218364

Structure parameters

• Chemical name: Dichlorido{2-[2-(piperidin-1-yl)ethyliminomethyl]phenolato}zinc(II) monohydrate
• Formula: C14 H22 Cl2 N2 O2 Zn
• Calculated formula: C14 H22 Cl2 N2 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cccc2)C=[N]1CC[NH+]1CCCCC1.O
• Title of publication: Dichlorido{2-[2-(piperidin-1-yl)ethyliminomethyl]phenolato}zinc(II) monohydrate
• Authors of publication: Zhang, Dong-Fang; Zhou, Mei-Huan; Yuan, Chang-Ji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m825 - m826
• a: 9.186 ± 0.0018 Å
• b: 19.875 ± 0.004 Å
• c: 9.966 ± 0.002 Å
• α: 90°
• β: 110.2 ± 0.03°
• γ: 90°
• Cell volume: 1707.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0733
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes