Information card for entry 7004565

Structure parameters

• Formula: C16 H22 N4 O7 Zn
• Calculated formula: C16 H22 N4 O7 Zn
• SMILES: [Zn]12345OC(=O)c6[n]2c(C[NH]5CC[NH]4Cc2[n]3c(ccc2)C(=O)O1)ccc6.O.O.O
• 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: 11.4629 ± 0.0005 Å
• b: 15.4564 ± 0.0007 Å
• c: 10.6802 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1892.27 ± 0.15 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No