Information card for entry 2242172

Structure parameters

• Chemical name: (1<i>E</i>,1'<i>E</i>)-1,1'-(Pyridine-2,6-diyl)bis[<i>N</i>-(2,3,4,5,6-pentafluorophenyl)ethan-1-imine]
• Formula: C21 H9 F10 N3
• Calculated formula: C21 H9 F10 N3
• SMILES: Fc1c(/N=C(c2nc(ccc2)C(=N\c2c(F)c(F)c(F)c(F)c2F)\C)\C)c(F)c(F)c(F)c1F
• Title of publication: Crystal structure of (1<i>E</i>,1'<i>E</i>)-1,1'-(pyridine-2,6-diyl)bis[<i>N</i>-(2,3,4,5,6-pentafluorophenyl)ethan-1-imine]
• Authors of publication: Boyle, Jenna; Breakfield, Catherine; Buck, Leah; McMahon, Catherine; Babbini, Dominic C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 954 - 956
• a: 4.2713 ± 0.0006 Å
• b: 35.792 ± 0.005 Å
• c: 5.9516 ± 0.0009 Å
• α: 90°
• β: 93.326 ± 0.002°
• γ: 90°
• Cell volume: 908.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0875
• 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: Yes