Information card for entry 7717628

Structure parameters

• Formula: C13 H11 N2 O2.5
• Calculated formula: C13 H11 N2 O2.5
• 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: 3.8217 ± 0.0009 Å
• b: 5.7898 ± 0.0011 Å
• c: 24.196 ± 0.005 Å
• α: 94.416 ± 0.007°
• β: 91.1 ± 0.009°
• γ: 93.667 ± 0.008°
• Cell volume: 532.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No