Information card for entry 2215255

Structure parameters

• Chemical name: trans-Bis[(S)-2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato- κ^2^N,O]copper(II)
• Formula: C22 H24 Cu N2 O4
• Calculated formula: C22 H24 Cu N2 O4
• SMILES: c12ccccc1C1=[N]([C@H](CO1)CC)[Cu]1(O2)[N]2=C(c3c(cccc3)O1)OC[C@H]2CC
• Title of publication: <i>trans</i>-Bis[(<i>S</i>)-2-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]copper(II)
• Authors of publication: Zhang, Yan; Liu, Tian-Fu; Xu, Wen-Guo; Zhao, Bang-Tun; Wang, Jian-Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2292 - m2293
• a: 6.6645 ± 0.0009 Å
• b: 14.5796 ± 0.0019 Å
• c: 10.5615 ± 0.0014 Å
• α: 90°
• β: 95.163 ± 0.001°
• γ: 90°
• Cell volume: 1022.1 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes