Information card for entry 2203648

Structure parameters

• Chemical name: (Acetato-κO)[N-(diacetyl monooxime)-N'-benzoylhydrazonato-κ^3^O,N,N'](1H-imidazole-κN^3^)zinc(II)
• Formula: C16 H19 N5 O4 Zn
• Calculated formula: C16 H19 N5 O4 Zn
• SMILES: [Zn]12([N](O)=C(C(=[N]1N=C(O2)c1ccccc1)C)C)([n]1c[nH]cc1)OC(=O)C
• Title of publication: (Acetato-κ<i>O</i>)[<i>N</i>-(diacetyl monooxime)-<i>N</i>'-benzoylhydrazonato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>'](1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)
• Authors of publication: Huo, Li-Hua; Gao, Shan; Liu, Ji-Wei; Wang, Chong; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m696 - m698
• a: 7.731 ± 0.002 Å
• b: 18.334 ± 0.004 Å
• c: 12.931 ± 0.003 Å
• α: 90°
• β: 100.07 ± 0.03°
• γ: 90°
• Cell volume: 1804.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes