Information card for entry 1571587

Structure parameters

• Chemical name: CIH-Zn
• Formula: C34 H24 F N6 O11 P Zn2
• Calculated formula: C34 H24 F N6 O11 P Zn2
• Title of publication: A highly selective coumarin-based chemosensor for dual sensing of Cu2+ and Zn2+ ions with logic gate integration and live cell imaging†
• Authors of publication: Singh, Avanish Kumar; Singh, Amit Kumar; Sharma, Shashi Kant; Sonkar, Vijay Kumar; Singh, Vinod Prasad
• Journal of publication: Analytical Methods
• Year of publication: 2024
• a: 11.6235 ± 0.0003 Å
• b: 12.0608 ± 0.0005 Å
• c: 16.9201 ± 0.0007 Å
• α: 77.785 ± 0.004°
• β: 87.986 ± 0.003°
• γ: 77.824 ± 0.003°
• Cell volume: 2266.04 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No