Information card for entry 2228454

Structure parameters

• Chemical name: 1,3-bis(pentafluorophenyl)triazene
• Formula: C12 H F10 N3
• Calculated formula: C12 H F10 N3
• SMILES: N(=NNc1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Low-temperature redetermination of 1,3-bis(pentafluorophenyl)triazene
• Authors of publication: von Eschwege, Karel G.; Kuhn, Annemarie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3177
• a: 9.993 ± 0.0008 Å
• b: 9.485 ± 0.0008 Å
• c: 12.92 ± 0.0011 Å
• α: 90°
• β: 95.585 ± 0.002°
• γ: 90°
• Cell volume: 1218.79 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes