Information card for entry 4517506

Structure parameters

• Formula: C15 H8 Cl4 F6 N4 O
• Calculated formula: C15 H8 Cl4 F6 N4 O
• Title of publication: Tandem Detection of Sub-Nano Molar Level CN– and Hg2+ in Aqueous Medium by a Suitable Molecular Sensor: A Viable Solution for Detection of CN– and Development of the RGB-Based Sensory Device
• Authors of publication: Mondal, Amita; Hazra, Abhijit; Chakrabarty, Jitamanyu; Bose K, Jagadeesh C.; Banerjee, Priyabrata
• Journal of publication: ACS Omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 6576 - 6587
• a: 12.627 ± 0.004 Å
• b: 16.99 ± 0.005 Å
• c: 4.5162 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 968.9 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No