Information card for entry 7060777

Structure parameters

• Formula: C19 H12 Cl N3 O5 Zn
• Calculated formula: C19 H12 Cl N3 O5 Zn
• SMILES: [Zn]12([OH2])(OC(=O)C#CC(=O)[O-])[n]3c(c4[n]1cccc4)cc(Cl)cc3c1[n]2cccc1
• Title of publication: Ultra-trace level detection of Cu2+ in an aqueous medium by novel Zn(ii)-dicarboxylato‒pyridyl coordination polymers and cell imaging with HepG2 cells
• Authors of publication: Bhunia, Suprava; Dutta, Basudeb; Pal, Kunal; Chandra, Angeera; Jana, Kuladip; Sinha, Chittaranjan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 31
• Pages of publication: 13941 - 13948
• a: 9.0876 ± 0.0007 Å
• b: 10.0804 ± 0.0008 Å
• c: 11.7778 ± 0.0009 Å
• α: 66.626 ± 0.002°
• β: 75.962 ± 0.002°
• γ: 65.717 ± 0.002°
• Cell volume: 898.68 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No