Information card for entry 4088170

Structure parameters

• Formula: C11 H5 F4 N
• Calculated formula: C11 H5 F4 N
• SMILES: Fc1c(cc(F)c(F)c1F)c1ncccc1
• Title of publication: C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands
• Authors of publication: Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 629
• a: 23.2459 ± 0.0009 Å
• b: 11.1259 ± 0.0004 Å
• c: 16.3586 ± 0.0006 Å
• α: 90°
• β: 122.551 ± 0.001°
• γ: 90°
• Cell volume: 3566.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0714
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No