Information card for entry 7717624

Structure parameters

• Formula: C16 H11 N3 O
• Calculated formula: C16 H11 N3 O
• Title of publication: Structural and optical studies of fluoride ion binding using N-heteroaromatic ligands.
• Authors of publication: Angarkhe, Priyanka R.; Sahoo, Satyajit; Singhdeo, Simran; Shankar, Sr, Kripa; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2069 - 2077
• a: 41.92 ± 0.04 Å
• b: 5.948 ± 0.005 Å
• c: 9.899 ± 0.011 Å
• α: 90°
• β: 94.88 ± 0.04°
• γ: 90°
• Cell volume: 2459 ± 4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1544
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No