Information card for entry 2222563

Structure parameters

• Chemical name: Dichlorido{2-[2-(dimethylammonio)ethyliminomethyl]-6-methoxyphenolato}zinc(II)
• Formula: C12 H18 Cl2 N2 O2 Zn
• Calculated formula: C12 H18 Cl2 N2 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(C=[N]1CC[NH+](C)C)cccc2OC
• Title of publication: Dichlorido{2-[2-(dimethylammonio)ethyliminomethyl]-6-methoxyphenolato}zinc(II)
• Authors of publication: Datta, Amitabha; Chuang, Nien-Tsu; Huang, Jui-Hsien; Lee, Hon Man
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m964
• a: 8.5621 ± 0.0006 Å
• b: 16.9642 ± 0.0012 Å
• c: 13.1106 ± 0.0007 Å
• α: 90°
• β: 127.732 ± 0.003°
• γ: 90°
• Cell volume: 1506.08 ± 0.18 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: 0.037
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes