Information card for entry 7114296

Structure parameters

• Common name: bis(Pentafluorophenylmethylidenehydrazone)
• Formula: C14 H2 F10 N2
• Calculated formula: C14 H2 F10 N2
• SMILES: c1(/C=N/N=C/c2c(c(F)c(F)c(F)c2F)F)c(c(F)c(F)c(F)c1F)F
• Title of publication: Interplay of phenyl–perfluorophenyl stacking, C–H⋯F, C–F⋯π and F⋯F interactions in some crystalline aromatic azinesElectronic supplementary information (ESI) available: experimental powder X-ray diffraction spectra. See http://www.rsc.org/suppdata/cc/b2/b202181a/
• Authors of publication: Vangala, Venu R.; Nangia, Ashwini; Lynch, Vincent M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 1304
• a: 6.657 ± 0.0001 Å
• b: 7.9005 ± 0.0002 Å
• c: 13.1424 ± 0.0003 Å
• α: 90°
• β: 103.68 ± 0.001°
• γ: 90°
• Cell volume: 671.6 ± 0.03 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No