Information card for entry 2226086

Structure parameters

• Chemical name: [(<i>Z</i>)-1-Amino-2-cyano-2-(4,6-di-2-pyridylpyrimidin-2- yl)ethenolato]chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ>i>O</i>)zinc(II)
• Formula: C20 H18 Cl N7 O2 Zn
• Calculated formula: C20 H18 Cl N7 O2 Zn
• SMILES: [Zn]12(Cl)(OC(=C(c3nc(c4ncccc4)cc([n]13)c1[n]2cccc1)C#N)N)[O]=CN(C)C
• Title of publication: [(<i>Z</i>)-1-Amino-2-cyano-2-(4,6-di-2-pyridylpyrimidin-2-yl)ethenolato]chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)zinc(II)
• Authors of publication: Jian, Fangfang; Du, Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m680
• a: 8.561 ± 0.0017 Å
• b: 11.25 ± 0.002 Å
• c: 12.259 ± 0.003 Å
• α: 110.7 ± 0.03°
• β: 91.36 ± 0.03°
• γ: 101.37 ± 0.03°
• Cell volume: 1077.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes