Information card for entry 7059758

Structure parameters

• Formula: C19 H20 Cd N6 O5 S2
• Calculated formula: C19 H20 Cd N6 O5 S2
• Title of publication: Development of a novel carboxamide-based off‒on switch fluorescence sensor: Hg2+, Zn2+ and Cd2+
• Authors of publication: Kiani, Mahsa; Bagherzadeh, Mojtaba; Meghdadi, Soraia; Rabiee, Navid; Abbasi, Alireza; Schenk-Joß, Kurt; Tahriri, Mohammadreza; Tayebi, Lobat; Webster, Thomas J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 11841 - 11852
• a: 12.008 ± 0.003 Å
• b: 14.404 ± 0.002 Å
• c: 14.372 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2485.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No