Information card for entry 2211181

Structure parameters

• Chemical name: Dichloro{4-chloro-2-[(2-diethylaminoethylimino)methyl]phenolato- κ^2^N,O}copper(II)
• Formula: C13 H19 Cl3 Cu N2 O
• Calculated formula: C13 H19 Cl3 Cu N2 O
• SMILES: [Cu]1(Cl)(Cl)Oc2c(cc(Cl)cc2)C=[N]1CC[NH+](CC)CC
• Title of publication: Dichloro{4-chloro-2-[2-(diethylammonio)ethyliminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}copper(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: m3004 - m3005
• a: 6.924 ± 0.001 Å
• b: 15.293 ± 0.002 Å
• c: 15.904 ± 0.002 Å
• α: 90°
• β: 102.072 ± 0.002°
• γ: 90°
• Cell volume: 1646.8 ± 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: 0.0752
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes