Information card for entry 7130120

Structure parameters

• Formula: C9 H7 F N2 O
• Calculated formula: C9 H7 F N2 O
• Title of publication: Tuning the photophysical properties of luminescent lanthanide complexes through regioselective antenna fluorination
• Authors of publication: Kocsi, Daniel; Orthaber, Andreas; Borbas, Eszter
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 5.2349 ± 0.0008 Å
• b: 8.1302 ± 0.0013 Å
• c: 18.418 ± 0.003 Å
• α: 90°
• β: 91.16 ± 0.003°
• γ: 90°
• Cell volume: 783.7 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No