Information card for entry 7060776

Structure parameters

• Formula: C21 H16 Cl N3 O5 Zn
• Calculated formula: C21 H16 Cl N3 O5 Zn
• 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: 8.697 ± 0.005 Å
• b: 10.798 ± 0.006 Å
• c: 13.165 ± 0.007 Å
• α: 100.543 ± 0.014°
• β: 105.004 ± 0.014°
• γ: 113.587 ± 0.014°
• Cell volume: 1035.5 ± 1 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: 0.0972
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No