Information card for entry 2233812

Structure parameters

• Chemical name: Dichloridobis(pyridin-4-ylmethyl 1<i>H</i>-pyrrole-2-carboxylate-κ<i>N</i>)zinc
• Formula: C22 H20 Cl2 N4 O4 Zn
• Calculated formula: C22 H20 Cl2 N4 O4 Zn
• SMILES: c1c[n](ccc1COC(=O)c1[nH]ccc1)[Zn](Cl)([n]1ccc(cc1)COC(=O)c1[nH]ccc1)Cl
• Title of publication: Dichloridobis(4-pyridylmethyl 1<i>H</i>-pyrrole-2-carboxylate-κ<i>N</i>)zinc
• Authors of publication: Li, Can; Zhang, Guilong; Yin, Zhenming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m323
• a: 27.604 ± 0.014 Å
• b: 6.205 ± 0.003 Å
• c: 16.087 ± 0.008 Å
• α: 90°
• β: 120.309 ± 0.006°
• γ: 90°
• Cell volume: 2379 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes