Information card for entry 7004561

Structure parameters

• Formula: C16 H20 Cl2 N4 O4
• Calculated formula: C16 H20 Cl2 N4 O4
• SMILES: c1(C(=O)O)cccc(C[NH2+]CC[NH2+]Cc2cccc(C(=O)O)n2)n1.[Cl-].[Cl-]
• Title of publication: Zn(ii), Cd(ii) and Pb(ii) complexation with pyridinecarboxylate containing ligands
• Authors of publication: Ferreirós-Martínez, Raquel; Esteban-Gómez, David; Platas-Iglesias, Carlos; de Blas, Andrés; Rodríguez-Blas, Teresa
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5754 - 5765
• a: 14.2629 ± 0.0016 Å
• b: 7.8583 ± 0.0009 Å
• c: 8.1247 ± 0.001 Å
• α: 90°
• β: 92.341 ± 0.002°
• γ: 90°
• Cell volume: 909.87 ± 0.18 ų
• Cell temperature: 298 ± 0.1 K
• Ambient diffraction temperature: 298 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No