Information card for entry 2210647

Structure parameters

• Chemical name: Dichloro{2,4-dichloro-6-[2-(isopropylammonio)ethyliminomethyl]phenolato}zinc(II)
• Formula: C12 H16 Cl4 N2 O Zn
• Calculated formula: C12 H16 Cl4 N2 O Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cc(Cl)cc2Cl)C=[N]1CC[NH2+]C(C)C
• Title of publication: Dichloro{2,4-dichloro-6-[2-(isopropylammonio)ethyliminomethyl]phenolato}zinc(II)
• Authors of publication: Yang-Jian Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2515 - m2516
• a: 12.345 ± 0.002 Å
• b: 10.39 ± 0.001 Å
• c: 13.569 ± 0.002 Å
• α: 90°
• β: 100.143 ± 0.002°
• γ: 90°
• Cell volume: 1713.2 ± 0.4 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: 0.0672
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes