Information card for entry 2204082

Structure parameters

• Formula: C19 H19 Cl2 N5 O3 Zn
• Calculated formula: C19 H19 Cl2 N5 O3 Zn
• SMILES: [Zn](Cl)(Cl)([OH2])[n]1ccccc1CNC(=O)c1nc(ccc1)C(=O)NCc1ncccc1
• Title of publication: A new zinc(II) complex with a peptide ligand: aqua{<i>N,N</i>-bis[2-(2-pyridyl)methyl]pyridine-2,6-dicarboxamide}dichlorozinc(II)
• Authors of publication: Dong-Zhao, Gao; Shou-Rong, Zhu; Hua-Kuan, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1038 - m1039
• a: 9.21 ± 0.005 Å
• b: 18.394 ± 0.01 Å
• c: 13.215 ± 0.007 Å
• α: 90°
• β: 109.657 ± 0.008°
• γ: 90°
• Cell volume: 2108 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes