Information card for entry 8101915

Structure parameters

• Chemical name: dichloro((N-(N',N'-dimethylammonio)ethyl)-2,4-dichlorosalicylaldiminato- N,O)copper(II)
• Formula: C11 H14 Cl4 Cu N2 O
• Calculated formula: C11 H14 Cl4 Cu N2 O
• SMILES: [Cu]1(Cl)(Cl)Oc2c(Cl)cc(Cl)cc2C=[N]1CC[NH+](C)C
• Title of publication: Crystal structure of dichloro((N-(N',N'-dimethylammonio)-ethyl)-2, 4-dichlorosalicylaldiminato-N,O)copper(II), Cu(C~11~H~14~Cl~2~N~2~O) Cl~2~
• Authors of publication: Ma, J.-Y.; Wu, T.-X.; She, X.-G.; Pan, X.-F.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 53 - 54
• a: 7.737 ± 0.002 Å
• b: 10.131 ± 0.002 Å
• c: 20.229 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1585.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No