Information card for entry 4342119

Structure parameters

• Chemical name: 2-Fluoro-6-(indazol-2-yl)pyridine - form 3
• Formula: C12 H8 F N3
• Calculated formula: C12 H8 F N3
• SMILES: n1c(cccc1F)n1nc2ccccc2c1
• Title of publication: Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.
• Authors of publication: Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 682 - 693
• a: 5.6983 ± 0.0002 Å
• b: 11.4598 ± 0.0005 Å
• c: 14.746 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 962.93 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No