Information card for entry 2234164

Structure parameters

• Chemical name: Dichlorido(pyridine-κ<i>N</i>)[2-(pyridinium-1-yl)acetato-κ<i>O</i>]zinc(II)
• Formula: C12 H12 Cl2 N2 O2 Zn
• Calculated formula: C12 H12 Cl2 N2 O2 Zn
• SMILES: [Zn](Cl)(Cl)(OC(=O)C[n+]1ccccc1)[n]1ccccc1
• Title of publication: Dichlorido(pyridine-κ<i>N</i>)[2-(pyridinium-1-yl)acetato-κ<i>O</i>]zinc(II)
• Authors of publication: Qun, Zhang; Jin-Xiang, Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m485
• a: 9.979 ± 0.002 Å
• b: 13.462 ± 0.003 Å
• c: 13.9 ± 0.005 Å
• α: 90°
• β: 128.781 ± 0.019°
• γ: 90°
• Cell volume: 1455.6 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0839
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.2233
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes