Information card for entry 7063876

Structure parameters

• Formula: C33 H34 Cl2 N10 O12 Zn
• Calculated formula: C33 H34 Cl2 N10 O12 Zn
• Title of publication: Quinoline-based bio-compatible fluorophore employing a dual sensor for Mg(ii) and Zn(ii): insights from single crystal structures and spectroscopic, DFT and cell imaging studies
• Authors of publication: Das, Bhriguram; Giri, Pravat K.; Barman, Milan K.; Upadhyaya, Priyanka; Pakrashy, Sourav; Dolai, Malay
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 31
• Pages of publication: 13666 - 13677
• a: 12.171 ± 0.0017 Å
• b: 17.084 ± 0.002 Å
• c: 19.615 ± 0.003 Å
• α: 90°
• β: 97.351 ± 0.004°
• γ: 90°
• Cell volume: 4045 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0976
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2207
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.587
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No