Information card for entry 7059759

Structure parameters

• Formula: C19.74 H21.1 Cl0.24 N6 O4.81 S2 Zn
• Calculated formula: C19.74 H21.1 Cl0.24 N6 O4.81 S2 Zn
• 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: 14.07 ± 0.003 Å
• b: 11.35 ± 0.002 Å
• c: 14.666 ± 0.003 Å
• α: 90°
• β: 92.38 ± 0.03°
• γ: 90°
• Cell volume: 2340.1 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.6957 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No