Information card for entry 2019252

Structure parameters

• Chemical name: Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>;κ^2^<i>O</i>:<i>O</i>'-bis[(6-chloro-2-{(<i>E</i>)-[(pyridin-2-yl)methylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)dizinc(II)]
• Formula: C31 H27 Cl5 N4 O6 Zn2
• Calculated formula: C31 H27 Cl5 N4 O6 Zn2
• SMILES: [Zn]123([n]4ccccc4C[N]1=Cc1c(c(ccc1)Cl)O2)[O]=C(O[Zn]12([O]3C(=O)C)[n]3ccccc3C[N]1=Cc1cccc(c1O2)Cl)C.C(Cl)(Cl)Cl
• Title of publication: Different Zn^II^ cation coordination geometries in di-μ-acetato-bis{2-chloro-6-[(pyridine-2-ylmethylimino)methyl]phenol}dizinc(II) chloroform monosolvate
• Authors of publication: Kim, Young-Inn; Lee, Jin Young; Song, Young-Kwang; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1348 - 1350
• a: 9.3167 ± 0.0003 Å
• b: 10.1345 ± 0.0003 Å
• c: 19.4988 ± 0.0006 Å
• α: 88.344 ± 0.001°
• β: 88.179 ± 0.001°
• γ: 67.092 ± 0.005°
• Cell volume: 1694.75 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No