Information card for entry 2213861

Structure parameters

• Chemical name: Bis{2-[(2-aminophenyl)iminomethyl]-6-carboxyphenolato-κ^3^O,N,N'}zinc(II)
• Formula: C28 H34 N4 O6 Zn
• Calculated formula: C28 H34 N4 O6 Zn
• SMILES: [Zn]1234([NH2][C@H]5[C@H]([N]1=Cc1c(O3)c(ccc1)C(=O)O)CCCC5)[NH2][C@H]1[C@H]([N]2=Cc2c(O4)c(ccc2)C(=O)O)CCCC1
• Title of publication: Bis{2-[(2-aminophenyl)iminomethyl]-6-carboxyphenolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>'}zinc(II)
• Authors of publication: Zhao-Wen Yu; Qing-Xia Cui; Wu Zhang; Yun-Ling Hao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1563 - m1565
• a: 8.858 ± 0.002 Å
• b: 12.61 ± 0.003 Å
• c: 25.008 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2793.4 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes