Information card for entry 2225581

Structure parameters

• Chemical name: {6-[(2-Anilinoethyl)iminomethyl]-2-ethoxyphenolato}(thiocyanato- κ<i>N</i>)copper(II)
• Formula: C18 H19 Cu N3 O2 S
• Calculated formula: C18 H19 Cu N3 O2 S
• SMILES: [Cu]12([N](=Cc3c(O1)c(OCC)ccc3)CC[NH]2c1ccccc1)N=C=S
• Title of publication: {6-[(2-Anilinoethyl)iminomethyl]-2-ethoxyphenolato}(thiocyanato-κ<i>N</i>)copper(II)
• Authors of publication: Wang, Chen-Yi; Li, Jing-Fen; Cao, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m445 - m446
• a: 13.6786 ± 0.0005 Å
• b: 10.4938 ± 0.0004 Å
• c: 25.2618 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3626.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes