Information card for entry 7223932

Structure parameters

• Formula: C20 H14 Co N3 O10
• Calculated formula: C20 H14 Co N3 O10
• SMILES: c12C(=O)O[Co]345([n]2c(ccc1)C(=O)O3)[n]1c(C(=O)O4)cccc1C(=O)O5.Cc1cc[nH+]cc1.O.O
• Title of publication: Isolation of proton transfer complexes containing 4‒picolinium as cation and pyridine‒2,6‒dicarboxylate complex as anion: Crystallographic and spectral investigations, antioxidant activities and molecular docking studies
• Authors of publication: Ansari, Istikhar A.; Sama, Farasha; Shahid, M.; Uddin, Rahis; Arif, Rizwan; Khalid, Mohd; Siddiqi, Zafar A.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.02 ± 0.007 Å
• b: 9.275 ± 0.004 Å
• c: 15.524 ± 0.007 Å
• α: 90°
• β: 93.849 ± 0.007°
• γ: 90°
• Cell volume: 2157.8 ± 1.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0822
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No