Information card for entry 2206068

Structure parameters

• Common name: Bis(trans-(E)-2-{[4-(4-acetylphenylsulfanyl)phenylimino-κN]methyl}phenolato- κO)copper(II)
• Formula: C42 H32 Cu N2 O4 S2
• Calculated formula: C42 H32 Cu N2 O4 S2
• SMILES: c12O[Cu]3([N](=Cc2cccc1)c1ccc(Sc2ccc(cc2)C(=O)C)cc1)[N](=Cc1c(cccc1)O3)c1ccc(Sc2ccc(cc2)C(=O)C)cc1
• Title of publication: Bis(<i>trans</i>-(<i>E</i>)-2-{[4-(4-acetylphenylsulfanyl)phenylimino-κ<i>N</i>]methyl}phenolato-κ<i>O</i>)copper(II)
• Authors of publication: Hebbachi, Rabihe; Benali-Cherif, Nourredine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1188 - m1190
• a: 9.172 ± 0.003 Å
• b: 11.032 ± 0.003 Å
• c: 11.106 ± 0.003 Å
• α: 60.825 ± 0.002°
• β: 67.219 ± 0.002°
• γ: 89.136 ± 0.003°
• Cell volume: 883.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No