Information card for entry 2216859

Structure parameters

• Chemical name: Dichloridobis(pyridine-3-carbaldehyde-κN)zinc(II)
• Formula: C12 H10 Cl2 N2 O2 Zn
• Calculated formula: C12 H10 Cl2 N2 O2 Zn
• SMILES: c1c(C=O)ccc[n]1[Zn](Cl)([n]1cc(ccc1)C=O)Cl
• Title of publication: Dichloridobis(pyridine-3-carbaldehyde-κ<i>N</i>)zinc(II)
• Authors of publication: Yinghua Li; Zhihui Liu; Hong Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3065 - m3065
• a: 5.8445 ± 0.0001 Å
• b: 19.2032 ± 0.0003 Å
• c: 12.3216 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1382.89 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes