Information card for entry 2211119

Structure parameters

• Chemical name: Dichloro{4-chloro-2-[2-(diethylammonio)ethyliminomethyl]phenolato}zinc(II)
• Formula: C13 H19 Cl3 N2 O Zn
• Calculated formula: C13 H19 Cl3 N2 O Zn
• SMILES: [Zn]1(Cl)(Cl)Oc2c(cc(Cl)cc2)C=[N]1CC[NH+](CC)CC
• Title of publication: Dichloro{4-chloro-2-[2-(diethylammonio)ethyliminomethyl]phenolato}zinc(II)
• Authors of publication: Qing Wang; Xiao-Yang Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3002 - m3003
• a: 14.921 ± 0.002 Å
• b: 8.736 ± 0.001 Å
• c: 13.008 ± 0.002 Å
• α: 90°
• β: 91.348 ± 0.002°
• γ: 90°
• Cell volume: 1695.1 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes