Information card for entry 7130122

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: 7.481 ± 0.002 Å
• b: 6.777 ± 0.002 Å
• c: 15.561 ± 0.005 Å
• α: 90°
• β: 100.97 ± 0.006°
• γ: 90°
• Cell volume: 774.5 ± 0.4 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: 0.0936
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No