Information card for entry 2219530

Structure parameters

• Chemical name: (1H-Imidazole-κN^3^){<i>N</i>-[1-(2-oxidophenyl-κO)ethylidene]-L- phenylalaninato-κ^2^N,O}copper(II)
• Formula: C20 H19 Cu N3 O3
• Calculated formula: C20 H19 Cu N3 O3
• SMILES: [Cu]12([N](=C(c3c(O1)cccc3)C)[C@H](C(=O)O2)Cc1ccccc1)[n]1c[nH]cc1
• Title of publication: (1<i>H</i>-Imidazole-κ<i>N</i>^3^){<i>N</i>-[1-(2-oxidophenyl-κ<i>O</i>)ethylidene]-<small>L</small>-phenylalaninato-κ^2^<i>N</i>,<i>O</i>}copper(II)
• Authors of publication: Han, Yong-Jun; Zhao, Gan-Qing; Zhao, Xiao-Jun; Song, Wen-Li; Shi, Jie-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1228
• a: 16.8029 ± 0.0016 Å
• b: 19.8231 ± 0.0019 Å
• c: 11.3642 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3785.3 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes