Information card for entry 2234659

Structure parameters

• Chemical name: Chlorido[4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II)
• Formula: C13 H10 Cl2 Cu N2 O
• Calculated formula: C13 H10 Cl2 Cu N2 O
• SMILES: [Cu]12([N](=Cc3c(O1)ccc(Cl)c3)Cc1[n]2cccc1)Cl
• Title of publication: Chlorido[4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II)
• Authors of publication: Wang, Haixia; Lang, Yuehe; Wang, Shaohong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m540
• a: 7.7975 ± 0.0011 Å
• b: 13.638 ± 0.002 Å
• c: 24.854 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2643 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes