Information card for entry 7004562

Structure parameters

• Formula: C20 H22 Cd N4 O4
• Calculated formula: C20 H22 Cd N4 O4
• SMILES: [Cd]12345OC(=O)c6[n]2c(ccc6)C[NH]4[C@H]2[C@H]([NH]5Cc4[n]3c(C(=O)O1)ccc4)CCCC2
• 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: 10.3652 ± 0.0004 Å
• b: 10.482 ± 0.0005 Å
• c: 17.8467 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1939.01 ± 0.15 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No