Information card for entry 2201364

Structure parameters

• Formula: C26 H22 N4 O8 Zn
• Calculated formula: C26 H22 N4 O8 Zn
• SMILES: [Zn](OC(=O)c2ccc(O)cc2)(OC(=O)c1ccc(O)cc1)([n]1cccc(c1)C(=O)N)[n]1cccc(c1)C(=O)N
• Title of publication: Bis(4-hydroxybenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>)zinc(II)
• Authors of publication: Necefoğlu, Hacali; Hökelek, Tuncer; Ersanlı, Cem Cüneyt; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m758 - m761
• a: 10.3159 ± 0.001 Å
• b: 22.606 ± 0.003 Å
• c: 10.8926 ± 0.001 Å
• α: 90°
• β: 95.375 ± 0.006°
• γ: 90°
• Cell volume: 2529 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes