Information card for entry 7717627

Structure parameters

• Formula: C32 H49.55 F N4 O3
• Calculated formula: C32 H49.551 F N4 O3
• Title of publication: Structural and Optical Studies of Fluoride ion binding using N-heteroaromatic based ligands.
• Authors of publication: Angarkhe, Priyanka R.; Sahoo, Satyajit; Deo, Simran Singh; Shankar, Kripa S. R.; Upadhyay, Manav; Mahiya, Kuldeep; Tripathy, Jagnyaseni; Behera, Rakesh K.; Mohapatra, Swagat K.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.2214 ± 0.0014 Å
• b: 17.687 ± 0.003 Å
• c: 23.149 ± 0.003 Å
• α: 90°
• β: 97.908 ± 0.005°
• γ: 90°
• Cell volume: 3334.1 ± 0.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 5
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No