Information card for entry 7717629

Structure parameters

• Formula: C32 H46 F N3 O S
• Calculated formula: C32 H46 F N3 O S
• 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: 8.2612 ± 0.0012 Å
• b: 9.5452 ± 0.0014 Å
• c: 9.9777 ± 0.0012 Å
• α: 94.986 ± 0.004°
• β: 93.564 ± 0.004°
• γ: 98.378 ± 0.005°
• Cell volume: 773.21 ± 0.19 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No