Information card for entry 4342117

Structure parameters

• Chemical name: 2-Fluoro-6-(indazol-2-yl)pyridine - form 1
• 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: 6.7286 ± 0.0004 Å
• b: 7.0923 ± 0.0005 Å
• c: 11.2194 ± 0.0007 Å
• α: 78.888 ± 0.005°
• β: 82.261 ± 0.005°
• γ: 64.157 ± 0.007°
• Cell volume: 472.05 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No